IPO9_HUMAN Loading...

Importin-9

Nuclear transport receptor that mediates nuclear import of proteins, such as histones, proteasome and actin1,2,3. Serves as receptor for nuclear localization signals (NLS) in cargo substrates4. Is thought to mediate docking of the importin/substrate complex to the nuclear pore complex (NPC) through binding to nucleoporin and the complex is subsequently translocated through the pore by an energy requiring, Ran-dependent mechanism5. At the nucleoplasmic side of the NPC, Ran binds to the importin, the importin/substrate complex dissociates and importin is re-exported from the nucleus to the cytoplasm where GTP hydrolysis releases Ran6. The directionality of nuclear import is thought to be conferred by an asymmetric distribution of the GTP- and GDP-bound forms of Ran between the cytoplasm and nucleus7. Mediates the import of pre-assembled proteasomes into the nucleus; AKIRIN2 acts as a molecular bridge between IPO9 and the proteasome complex8,9. Mediates the nuclear import of histones H2A, H2B, H4 and H410,11. In addition to nuclear import, also acts as a chaperone for histones by preventing inappropriate non-nucleosomal interactions12. Mediates the nuclear import of actin (By similarity).

AlphaFold DB , UniProt , Accession Q96P70, Species HUMAN (Homo sapiens, Human), Gene IPO9, Length 1,041 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M31.4Very low32.6Very low249 Ų249113.8 Ų113.8100%1.22787%0.867SS**  095.60-74.4-174.3-142.100108
2A34.9Very low32.8Very low108 Ų108110.8 Ų110.889%0.89386%0.861SS**  trans171.786.2160.500000105.5
3A30.1Very low32.7Very low99 Ų99113.6 Ų113.682%0.81885%0.854SS**  trans-103.5144.1163.400000107.1
4A31.6Very low33Very low108 Ų108111.4 Ų111.489%0.89383%0.831SS**  trans73.695.217000000117.9
5A32.6Very low33.3Very low103 Ų103106.6 Ų106.685%0.85180%0.803SS**  trans-139.8108146.900000109.8
6A33.1Very low34.2Very low102 Ų102107.2 Ų107.284%0.84380%0.8SS**  trans5682.6150.700000119.5
7A30.7Very low35.4Very low115 Ų115107.8 Ų107.895%0.9580%0.795SS**  trans-81.9110.3139.300000107.7
8G28.4Very low36.5Very low70 Ų70103.4 Ų103.472%0.72276%0.764SS**  trans-179.649.5-177.900000110.8A10G8-A10 PolarHBondContact O-N 3.05Å; G8-A10 VanDerWaalsContact O-N 3.09Å
9A34.9Very low37.6Very low105 Ų105104.1 Ų104.187%0.86875%0.752SS**  trans-69.5101.4165.500000106.8S11A9-S11 PolarHBondContact O-N 3.38Å
10A32.6Very low39.7Very low97 Ų97100.6 Ų100.680%0.80273%0.732SS**  trans-60.5106.3170.100000108.1G8 G12G8-A10 PolarHBondContact O-N 3.05Å; G8-A10 VanDerWaalsContact O-N 3.09Å; A10-G12 PolarHBondContact O-N 3.45Å; A10-G12 VanDerWaalsContact O-N 3.14Å
11S37.9Very low41.8Very low96 Ų9698.1 Ų98.167%0.67171%0.71SS**  trans-53.2112.5151.151.90000106.8A9 L13A9-S11 PolarHBondContact O-N 3.38Å; S11-L13 PolarHBondContact O-N 3.25Å
12G35.5Very low44.4Very low77 Ų7789.3 Ų89.379%0.79467%0.665SS**  trans-64.187.2170.500000109A10A10-G12 PolarHBondContact O-N 3.45Å; A10-G12 VanDerWaalsContact O-N 3.14Å
13L31.4Very low47Very low148 Ų14889.9 Ų89.978%0.77565%0.649SS**PPolyproline II helixtrans-64.2125.5166.4-78.4159000107.1S11 G15S11-L13 PolarHBondContact O-N 3.25Å; L13-G15 PolarHBondContact O-N 3.08Å
14P37.1Very low49.7Very low82 Ų8286.9 Ų86.953%0.53262%0.624SS.*PPolyproline II helixtrans-58.5134.5175.722.4-29.5000108.9A18P14-A18 HydrophobicContact CB-CB 4.21Å
15G37.7Very low52.6Low40 Ų4081.9 Ų81.941%0.41258%0.582SS.*PPolyproline II helixtrans-59.7158.5-17700000112.2L13 V17 A18 Q19L13-G15 PolarHBondContact O-N 3.08Å; G15-V17 PolarHBondContact O-N 2.68Å; G15-A18 PolarHBondContact O-N 2.71Å; G15-Q19 PolarHBondContact O-N 3.37Å
16P47.3Very low55.4Low116 Ų11679.2 Ų79.275%0.75356%0.555SS**Hα-helixtrans-56.9-24.5-17518.5-30.3000114.4G20P16-G20 PolarHBondContact O-N 3.17Å
17V54.6Low58.2Low118 Ų11880 Ų8072%0.71555%0.545SS*.Hα-helixtrans-70.4-41175.8-177.50000112.1G15 G20 L21G15-V17 PolarHBondContact O-N 2.68Å; V17-G20 PolarHBondContact O-N 2.98Å; V17-L21 PolarHBondContact O-N 3.43Å
18A55.2Low61.2Low29 Ų2975 Ų7524%0.2450%0.503CS..Hα-helixtrans-70.9-35.817800000111.5P14 G15 G20 L21 K22P14-A18 HydrophobicContact CB-CB 4.21Å; G15-A18 PolarHBondContact O-N 2.71Å; A18-G20 VanDerWaalsContact C-N 3.34Å; A18-G20 PolarHBondContact O-N 2.93Å; A18-L21 PolarHBondContact O-N 3.1Å; A18-K22 PolarHBondContact O-N 3.39Å
19Q58.5Low64.3Low115 Ų11571.7 Ų71.754%0.53747%0.469SS..Hα-helixtrans-63.7-39.8175.3-138.5170.12.300111.7G15 E23G15-Q19 PolarHBondContact O-N 3.37Å; Q19-E23 WeakPolarHBondContact O-CG 3.37Å; Q19-E23 PolarHBondContact O-N 3.13Å
20G79.6Confident67.1Low34 Ų3470.2 Ų70.235%0.35145%0.449SS..Hα-helixtrans-67.9-33.8176.100000114.6P16 V17 A18 A24P16-G20 PolarHBondContact O-N 3.17Å; V17-G20 PolarHBondContact O-N 2.98Å; A18-G20 VanDerWaalsContact C-N 3.34Å; A18-G20 PolarHBondContact O-N 2.93Å; G20-A24 WeakPolarHBondContact O-CB 3.44Å; G20-A24 PolarHBondContact O-N 3.16Å
21L82.8Confident70Confident49 Ų4966.1 Ų66.126%0.25742%0.416SS..Hα-helixtrans-66.7-43.1175.5-95.2150000112V17 A18 A24 L25 L50 T53V17-L21 PolarHBondContact O-N 3.43Å; A18-L21 PolarHBondContact O-N 3.1Å; L21-A24 PolarHBondContact O-N 2.78Å; L21-L25 PolarHBondContact O-N 3.49Å; L21-L50 HydrophobicContact CD2-CD2 4.01Å; L21-T53 HydrophobicContact CD2-CG2 4.36Å
22K86.5Confident72.6Confident64 Ų6462.9 Ų62.928%0.27839%0.391SS..Hα-helixtrans-63.5-42.8177.1-172.5171.7-175.8161.10112.3A18 L25 V26 E62A18-K22 PolarHBondContact O-N 3.39Å; K22-L25 PolarHBondContact O-N 3.19Å; K22-V26 WeakPolarHBondContact O-CG2 2.93Å; K22-V26 PolarHBondContact O-N 2.99Å; K22-E62 WeakPolarHBondContact CE-OE2 3.35Å; K22-E62 IonicContact NZ-OE2 3.37Å; K22-E62 PolarHBondContact NZ-OE2 2.6Å
23E88.1Confident75.3Confident121 Ų12163.3 Ų63.357%0.56537%0.374SS*.Hα-helixtrans-61.9-46.1175.2-72.3173.7-177.100111.5Q19 L25 V26 D27Q19-E23 WeakPolarHBondContact O-CG 3.37Å; Q19-E23 PolarHBondContact O-N 3.13Å; E23-L25 VanDerWaalsContact C-N 3.28Å; E23-L25 PolarHBondContact O-N 3.4Å; E23-V26 PolarHBondContact O-N 3.01Å; E23-V26 VanDerWaalsContact O-N 3.17Å; E23-D27 PolarHBondContact O-N 3.17Å
24A88.2Confident78.2Confident36 Ų3657.4 Ų57.430%0.29835%0.346SS..Hα-helixtrans-60.7-36.8176.200000112.7G20 L21 T28G20-A24 WeakPolarHBondContact O-CB 3.44Å; G20-A24 PolarHBondContact O-N 3.16Å; L21-A24 PolarHBondContact O-N 2.78Å; A24-T28 WeakPolarHBondContact O-CB 3.47Å; A24-T28 PolarHBondContact O-N 3.22Å; A24-T28 PolarHBondContact O-OG1 3.4Å
25L92Very high80.8Confident3 Ų359.2 Ų59.22%0.01636%0.357CS..Hα-helixtrans-65.8-44.4174.9-177.559.5000111.4L21 K22 E23 D27 T28 L29 L50 F56 H59 L60 L63L21-L25 PolarHBondContact O-N 3.49Å; K22-L25 PolarHBondContact O-N 3.19Å; E23-L25 VanDerWaalsContact C-N 3.28Å; E23-L25 PolarHBondContact O-N 3.4Å; L25-D27 VanDerWaalsContact C-N 3.34Å; L25-D27 PolarHBondContact O-N 3.16Å; L25-T28 WeakPolarHBondContact O-CB 3.36Å; L25-T28 PolarHBondContact O-N 3.18Å; L25-L29 HydrophobicContact CD1-CD1 4.46Å; L25-L29 HydrophobicContact CD1-CG 4.22Å; L25-L29 HydrophobicContact CG-CD1 4.21Å; L25-L29 HydrophobicContact CG-CG 4.39Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.26Å; L25-L29 PolarHBondContact O-N 2.97Å; L25-L50 HydrophobicContact CD1-CD1 4.14Å; L25-F56 HydrophobicContact CD1-CD2 4.22Å; L25-F56 HydrophobicContact CD1-CE2 3.66Å; L25-H59 HydrophobicContact CD2-CB 3.67Å; L25-L60 HydrophobicContact CD1-CD2 4.3Å; L25-L60 HydrophobicContact CD2-CD2 3.99Å; L25-L60 HydrophobicContact CD2-CG 4.16Å; L25-L63 HydrophobicContact CD2-CD1 3.76Å; L25-L63 HydrophobicContact CG-CD1 3.95Å
26V91.8Very high83.4Confident47 Ų4760.8 Ų60.829%0.28536%0.359SS..Hα-helixtrans-60.4-43.6176.6172.50000111.5K22 E23 T28 L29 T30 L63K22-V26 WeakPolarHBondContact O-CG2 2.93Å; K22-V26 PolarHBondContact O-N 2.99Å; E23-V26 PolarHBondContact O-N 3.01Å; E23-V26 VanDerWaalsContact O-N 3.17Å; V26-T28 VanDerWaalsContact C-N 3.32Å; V26-T28 PolarHBondContact O-N 3.08Å; V26-L29 PolarHBondContact O-N 3.07Å; V26-T30 WeakPolarHBondContact O-CB 3.33Å; V26-T30 PolarHBondContact O-N 3.14Å; V26-T30 PolarHBondContact O-OG1 3.29Å; V26-L63 HydrophobicContact CG2-CD1 3.99Å; V26-L63 HydrophobicContact CG2-CD2 3.58Å; V26-L63 HydrophobicContact CG2-CG 4.45Å
27D91.8Very high85.6Confident117 Ų11762.4 Ų62.463%0.62636%0.357SS*.Hα-helixtrans-62.4-41176.1-74.8-16.5000111.4E23 L25 T30 G31E23-D27 PolarHBondContact O-N 3.17Å; L25-D27 VanDerWaalsContact C-N 3.34Å; L25-D27 PolarHBondContact O-N 3.16Å; D27-T30 PolarHBondContact O-N 2.88Å; D27-G31 PolarHBondContact O-N 3.1Å
28T93.1Very high87.4Confident11 Ų1164.5 Ų64.57%0.06736%0.358CS..Hα-helixtrans-64.8-48.8177.6-56.90000111.4A24 L25 V26 T30 G31 I32 A43 Q46 I47 L50A24-T28 WeakPolarHBondContact O-CB 3.47Å; A24-T28 PolarHBondContact O-N 3.22Å; A24-T28 PolarHBondContact O-OG1 3.4Å; L25-T28 WeakPolarHBondContact O-CB 3.36Å; L25-T28 PolarHBondContact O-N 3.18Å; V26-T28 VanDerWaalsContact C-N 3.32Å; V26-T28 PolarHBondContact O-N 3.08Å; T28-T30 VanDerWaalsContact C-N 3.26Å; T28-T30 PolarHBondContact O-N 3.36Å; T28-G31 WeakPolarHBondContact O-CA 3.35Å; T28-G31 PolarHBondContact O-N 3.46Å; T28-I32 PolarHBondContact O-N 3.13Å; T28-A43 HydrophobicContact CG2-CB 4.09Å; T28-A43 WeakPolarHBondContact CG2-O 3.49Å; T28-A43 WeakPolarHBondContact O-CB 3.48Å; T28-Q46 HydrophobicContact CG2-CB 3.94Å; T28-Q46 HydrophobicContact CG2-CG 4.07Å; T28-Q46 WeakPolarHBondContact OG1-CG 3.32Å; T28-I47 HydrophobicContact CG2-CG1 3.62Å; T28-L50 HydrophobicContact CG2-CD1 4.49Å
29L94Very high89.2Confident0 Ų066.2 Ų66.20%037%0.366CS..Hα-helixtrans-60.4-38.1176.3-65.6177.4000111.7L25 V26 G31 I32 L33 I47 L63 I73 L76 A77 I80L25-L29 HydrophobicContact CD1-CD1 4.46Å; L25-L29 HydrophobicContact CD1-CG 4.22Å; L25-L29 HydrophobicContact CG-CD1 4.21Å; L25-L29 HydrophobicContact CG-CG 4.39Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.26Å; L25-L29 PolarHBondContact O-N 2.97Å; V26-L29 PolarHBondContact O-N 3.07Å; L29-G31 VanDerWaalsContact C-N 3.32Å; L29-I32 PolarHBondContact O-N 3.06Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 2.67Å; L29-I47 HydrophobicContact CD2-CD1 4.2Å; L29-L63 HydrophobicContact CD1-CD1 3.75Å; L29-I73 HydrophobicContact CB-CD1 3.73Å; L29-I73 HydrophobicContact CB-CG2 4.25Å; L29-I73 HydrophobicContact CD1-CG2 3.79Å; L29-L76 HydrophobicContact CB-CD2 4.23Å; L29-L76 HydrophobicContact CD2-CD2 3.92Å; L29-L76 HydrophobicContact CD2-CG 4Å; L29-A77 HydrophobicContact CD1-CB 4.01Å; L29-I80 HydrophobicContact CD2-CD1 3.2Å
30T93.8Very high90.8Very high75 Ų7564.9 Ų64.946%0.4636%0.356SS..Hα-helixtrans-64.8-38.4174.2-56.10000111.4V26 D27 T28 L33 S34V26-T30 WeakPolarHBondContact O-CB 3.33Å; V26-T30 PolarHBondContact O-N 3.14Å; V26-T30 PolarHBondContact O-OG1 3.29Å; D27-T30 PolarHBondContact O-N 2.88Å; T28-T30 VanDerWaalsContact C-N 3.26Å; T28-T30 PolarHBondContact O-N 3.36Å; T30-L33 PolarHBondContact O-N 2.82Å; T30-S34 PolarHBondContact O-N 2.97Å
31G92.3Very high91.4Very high10 Ų1065.7 Ų65.710%0.10336%0.359CS..Hα-helixtrans-62.5-39.6174.500000113.5D27 T28 L29 L33 S34D27-G31 PolarHBondContact O-N 3.1Å; T28-G31 WeakPolarHBondContact O-CA 3.35Å; T28-G31 PolarHBondContact O-N 3.46Å; L29-G31 VanDerWaalsContact C-N 3.32Å; G31-L33 VanDerWaalsContact C-N 3.28Å; G31-L33 PolarHBondContact O-N 2.95Å; G31-S34 WeakPolarHBondContact O-CB 3.17Å; G31-S34 PolarHBondContact O-N 3.08Å; G31-S34 VanDerWaalsContact O-N 3.08Å
32I93Very high91.8Very high29 Ų2966.4 Ų66.415%0.14937%0.372CS..Hα-helixtrans-64.7-34.4176.6-67.6172.6000111.7T28 L29 S34 R40 A43 E44 I47 L76T28-I32 PolarHBondContact O-N 3.13Å; L29-I32 PolarHBondContact O-N 3.06Å; I32-S34 PolarHBondContact O-N 2.93Å; I32-R40 WeakPolarHBondContact O-CD 3.35Å; I32-R40 VanDerWaalsContact O-CG 3.31Å; I32-R40 WeakPolarHBondContact O-CG 3.34Å; I32-A43 HydrophobicContact CG1-CB 3.64Å; I32-E44 HydrophobicContact CG1-CG 4.4Å; I32-I47 HydrophobicContact CD1-CD1 3.11Å; I32-I47 HydrophobicContact CD1-CG1 3.75Å; I32-L76 HydrophobicContact CB-CD2 3.87Å; I32-L76 HydrophobicContact CG2-CD1 4.33Å; I32-L76 HydrophobicContact CG2-CD2 3.71Å
33L92.3Very high92Very high85 Ų8563.7 Ų63.745%0.44536%0.362SS..THydrogen-bonded Turntrans-79.30.4176.3-62.3175.4000113.4L29 T30 G31 A72 I73 L76L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 2.67Å; T30-L33 PolarHBondContact O-N 2.82Å; G31-L33 VanDerWaalsContact C-N 3.28Å; G31-L33 PolarHBondContact O-N 2.95Å; L33-A72 HydrophobicContact CD1-CB 3.63Å; L33-I73 HydrophobicContact CD1-CD1 3.73Å; L33-I73 HydrophobicContact CD1-CG1 4.39Å; L33-L76 HydrophobicContact CD1-CD2 4.4Å; L33-L76 HydrophobicContact CD2-CD2 3.96Å; L33-L76 HydrophobicContact CG-CD2 3.86Å
34S92.7Very high92.2Very high25 Ų2562.9 Ų62.918%0.17536%0.358CS..  trans-68.6142.5-178.9-177.40000112.2T30 G31 I32 V36 R40T30-S34 PolarHBondContact O-N 2.97Å; G31-S34 WeakPolarHBondContact O-CB 3.17Å; G31-S34 PolarHBondContact O-N 3.08Å; G31-S34 VanDerWaalsContact O-N 3.08Å; I32-S34 PolarHBondContact O-N 2.93Å; S34-V36 PolarHBondContact O-N 3.16Å; S34-V36 PolarHBondContact OG-N 3.12Å; S34-R40 WeakPolarHBondContact O-CD 3.32Å; S34-R40 WeakPolarHBondContact O-CG 3.41Å; S34-R40 PolarHBondContact O-NH1 3.27Å
35P91.2Very high92.3Very high119 Ų11966 Ų6677%0.77337%0.366SS*.SBendtrans-68.7-16.7170.328.9-34.6000112.9R40P35-R40 PolarHBondContact O-NH1 3.21Å
36V93.5Very high92.2Very high74 Ų7469.8 Ų69.845%0.44838%0.384SS..  trans-85118.4-177.1-176.80000110.9S34 E38 V39 R40S34-V36 PolarHBondContact O-N 3.16Å; S34-V36 PolarHBondContact OG-N 3.12Å; V36-E38 HydrophobicContact CG1-CB 4.45Å; V36-E38 PolarHBondContact O-N 3.01Å; V36-V39 HydrophobicContact CB-CB 4.15Å; V36-V39 HydrophobicContact CB-CG2 3.88Å; V36-V39 HydrophobicContact CG1-CB 4.43Å; V36-V39 HydrophobicContact CG1-CG2 3.86Å; V36-V39 PolarHBondContact O-N 2.75Å; V36-V39 VanDerWaalsContact O-N 3.15Å; V36-R40 PolarHBondContact O-N 2.84Å; V36-R40 VanDerWaalsContact O-N 3.08Å
37Q92.5Very high92.2Very high150 Ų15068.3 Ų68.370%0.70137%0.374SS*.Hα-helixtrans-55.9-44.8-177.5-177.6-179.3-0.300113.4V39 R40 A41Q37-V39 VanDerWaalsContact C-N 3.29Å; Q37-V39 PolarHBondContact O-N 3.25Å; Q37-R40 PolarHBondContact O-N 2.8Å; Q37-A41 WeakPolarHBondContact O-CB 3.15Å; Q37-A41 PolarHBondContact O-N 3.39Å
38E92.2Very high92Very high161 Ų16168 Ų6875%0.75237%0.368SS*.Hα-helixtrans-61.8-37.5179.8-65.1-179.5174.900112.2V36 A42V36-E38 HydrophobicContact CG1-CB 4.45Å; V36-E38 PolarHBondContact O-N 3.01Å; E38-A42 WeakPolarHBondContact O-CB 3.47Å; E38-A42 PolarHBondContact O-N 3.43Å
39V92.3Very high91.7Very high66 Ų6671.4 Ų71.440%0.439%0.388SS..Hα-helixtrans-69.7-41.4177.6178.50000110.7V36 Q37 A43V36-V39 HydrophobicContact CB-CB 4.15Å; V36-V39 HydrophobicContact CB-CG2 3.88Å; V36-V39 HydrophobicContact CG1-CB 4.43Å; V36-V39 HydrophobicContact CG1-CG2 3.86Å; V36-V39 PolarHBondContact O-N 2.75Å; V36-V39 VanDerWaalsContact O-N 3.15Å; Q37-V39 VanDerWaalsContact C-N 3.29Å; Q37-V39 PolarHBondContact O-N 3.25Å; V39-A43 VanDerWaalsContact O-CB 3.3Å; V39-A43 WeakPolarHBondContact O-CB 3.41Å; V39-A43 PolarHBondContact O-N 3.37Å
40R93.6Very high91.5Very high87 Ų8772.1 Ų72.133%0.32839%0.392SS..Hα-helixtrans-62.3-50.2175.3-67.2-160.7-63.9-92.40.9111.8I32 S34 P35 V36 Q37 A42 A43 E44I32-R40 WeakPolarHBondContact O-CD 3.35Å; I32-R40 VanDerWaalsContact O-CG 3.31Å; I32-R40 WeakPolarHBondContact O-CG 3.34Å; S34-R40 WeakPolarHBondContact O-CD 3.32Å; S34-R40 WeakPolarHBondContact O-CG 3.41Å; S34-R40 PolarHBondContact O-NH1 3.27Å; P35-R40 PolarHBondContact O-NH1 3.21Å; V36-R40 PolarHBondContact O-N 2.84Å; V36-R40 VanDerWaalsContact O-N 3.08Å; Q37-R40 PolarHBondContact O-N 2.8Å; R40-A42 VanDerWaalsContact C-N 3.34Å; R40-A42 PolarHBondContact O-N 3.14Å; R40-A43 CarbonylContact O-C 3.57Å; R40-A43 PolarHBondContact O-N 2.99Å; R40-A43 VanDerWaalsContact O-N 3.09Å; R40-E44 WeakPolarHBondContact O-CG 3.43Å; R40-E44 PolarHBondContact O-N 3.16Å
41A90.7Very high91.2Very high50 Ų5069.9 Ų69.941%0.41338%0.376SS..Hα-helixtrans-61.4-41.6-178.800000112.2Q37 A43 E44 E45Q37-A41 WeakPolarHBondContact O-CB 3.15Å; Q37-A41 PolarHBondContact O-N 3.39Å; A41-A43 VanDerWaalsContact C-N 3.32Å; A41-A43 PolarHBondContact O-N 3.09Å; A41-E44 PolarHBondContact O-N 2.82Å; A41-E45 PolarHBondContact O-N 3.43Å; A41-E45 VanDerWaalsContact O-N 3.07Å
42A91.3Very high90.8Very high64 Ų6473.1 Ų73.153%0.52939%0.393SS..Hα-helixtrans-63.8-38.617500000112E38 R40 Q46E38-A42 WeakPolarHBondContact O-CB 3.47Å; E38-A42 PolarHBondContact O-N 3.43Å; R40-A42 VanDerWaalsContact C-N 3.34Å; R40-A42 PolarHBondContact O-N 3.14Å; A42-Q46 WeakPolarHBondContact O-CB 3.23Å; A42-Q46 PolarHBondContact O-N 2.69Å
43A91.5Very high90.5Very high8 Ų873.8 Ų73.87%0.06640%0.399CS..Hα-helixtrans-73-37.2178.500000113T28 I32 V39 R40 A41 E45 Q46 I47T28-A43 HydrophobicContact CG2-CB 4.09Å; T28-A43 WeakPolarHBondContact CG2-O 3.49Å; T28-A43 WeakPolarHBondContact O-CB 3.48Å; I32-A43 HydrophobicContact CG1-CB 3.64Å; V39-A43 VanDerWaalsContact O-CB 3.3Å; V39-A43 WeakPolarHBondContact O-CB 3.41Å; V39-A43 PolarHBondContact O-N 3.37Å; R40-A43 CarbonylContact O-C 3.57Å; R40-A43 PolarHBondContact O-N 2.99Å; R40-A43 VanDerWaalsContact O-N 3.09Å; A41-A43 VanDerWaalsContact C-N 3.32Å; A41-A43 PolarHBondContact O-N 3.09Å; A43-E45 VanDerWaalsContact C-N 3.34Å; A43-Q46 PolarHBondContact O-N 3.38Å; A43-I47 PolarHBondContact O-N 3.14Å
44E91.7Very high90.2Very high103 Ų10374.2 Ų74.248%0.48140%0.399SS..Hα-helixtrans-61.6-41.3172.2-74.2168.7-169.900111.6I32 R40 A41 I47 K48I32-E44 HydrophobicContact CG1-CG 4.4Å; R40-E44 WeakPolarHBondContact O-CG 3.43Å; R40-E44 PolarHBondContact O-N 3.16Å; A41-E44 PolarHBondContact O-N 2.82Å; E44-I47 PolarHBondContact O-N 3.12Å; E44-K48 PolarHBondContact O-N 2.72Å
45E90.2Very high90Very high101 Ų10175.3 Ų75.347%0.47240%0.401SS..Hα-helixtrans-67.9-38.8174.6-168.760-160.200111.5A41 A43 I47 K48 V49A41-E45 PolarHBondContact O-N 3.43Å; A41-E45 VanDerWaalsContact O-N 3.07Å; A43-E45 VanDerWaalsContact C-N 3.34Å; E45-I47 VanDerWaalsContact C-N 3.29Å; E45-I47 PolarHBondContact O-N 3.05Å; E45-K48 PolarHBondContact O-N 2.8Å; E45-K48 IonicContact OE2-NZ 3.66Å; E45-K48 PolarHBondContact OE2-NZ 3.05Å; E45-V49 PolarHBondContact O-N 3.41Å
46Q90.9Very high90.1Very high83 Ų8369.9 Ų69.939%0.38837%0.365SS..Hα-helixtrans-63.3-34.4175.4-172.264.22400112.2T28 A42 A43 K48 V49 L50T28-Q46 HydrophobicContact CG2-CB 3.94Å; T28-Q46 HydrophobicContact CG2-CG 4.07Å; T28-Q46 WeakPolarHBondContact OG1-CG 3.32Å; A42-Q46 WeakPolarHBondContact O-CB 3.23Å; A42-Q46 PolarHBondContact O-N 2.69Å; A43-Q46 PolarHBondContact O-N 3.38Å; Q46-K48 PolarHBondContact O-N 3.47Å; Q46-V49 PolarHBondContact O-N 3.26Å; Q46-L50 HydrophobicContact CG-CD1 4.24Å; Q46-L50 HydrophobicContact CG-CG 4.5Å; Q46-L50 WeakPolarHBondContact O-CG 3.46Å; Q46-L50 PolarHBondContact O-N 3.23Å
47I91.7Very high90.1Very high16 Ų1666.3 Ų66.38%0.08234%0.344CS..Hα-helixtrans-58.8-45.2172.5-82.1-161.9000111.5T28 L29 I32 A43 E44 E45 V49 L50 E51 F56 I80T28-I47 HydrophobicContact CG2-CG1 3.62Å; L29-I47 HydrophobicContact CD2-CD1 4.2Å; I32-I47 HydrophobicContact CD1-CD1 3.11Å; I32-I47 HydrophobicContact CD1-CG1 3.75Å; A43-I47 PolarHBondContact O-N 3.14Å; E44-I47 PolarHBondContact O-N 3.12Å; E45-I47 VanDerWaalsContact C-N 3.29Å; E45-I47 PolarHBondContact O-N 3.05Å; I47-V49 PolarHBondContact O-N 3.45Å; I47-L50 CarbonylContact O-C 3.54Å; I47-L50 PolarHBondContact O-N 2.75Å; I47-E51 PolarHBondContact O-N 2.99Å; I47-F56 HydrophobicContact CG2-CZ 4.33Å; I47-I80 HydrophobicContact CD1-CD1 3.37Å; I47-I80 HydrophobicContact CD1-CG1 4.17Å; I47-I80 HydrophobicContact CD1-CG2 4.43Å
48K87.6Confident90.2Very high112 Ų11259.4 Ų59.449%0.48731%0.312SS..Hα-helixtrans-62.2-28.9179-60.8178.4-164.5155.60112.6E44 E45 Q46 E51E44-K48 PolarHBondContact O-N 2.72Å; E45-K48 PolarHBondContact O-N 2.8Å; E45-K48 IonicContact OE2-NZ 3.66Å; E45-K48 PolarHBondContact OE2-NZ 3.05Å; Q46-K48 PolarHBondContact O-N 3.47Å; K48-E51 WeakPolarHBondContact O-CG 3.46Å
49V87.3Confident90.4Very high82 Ų8252.3 Ų52.350%0.49728%0.278SS..Hα-helixtrans-76.9-35.1174.6-178.10000111.1E45 Q46 I47 V52E45-V49 PolarHBondContact O-N 3.41Å; Q46-V49 PolarHBondContact O-N 3.26Å; I47-V49 PolarHBondContact O-N 3.45Å; V49-V52 VanDerWaalsContact O-CG2 3.3Å; V49-V52 WeakPolarHBondContact O-CG2 3.25Å
50L88.3Confident90.5Very high14 Ų1449.1 Ų49.17%0.07326%0.259CS..Hα-helixtrans-77-31.3179.1-68.1174000112.6L21 L25 T28 Q46 I47 V52 T53 F56L21-L50 HydrophobicContact CD2-CD2 4.01Å; L25-L50 HydrophobicContact CD1-CD1 4.14Å; T28-L50 HydrophobicContact CG2-CD1 4.49Å; Q46-L50 HydrophobicContact CG-CD1 4.24Å; Q46-L50 HydrophobicContact CG-CG 4.5Å; Q46-L50 WeakPolarHBondContact O-CG 3.46Å; Q46-L50 PolarHBondContact O-N 3.23Å; I47-L50 CarbonylContact O-C 3.54Å; I47-L50 PolarHBondContact O-N 2.75Å; L50-V52 PolarHBondContact O-N 3.46Å; L50-V52 VanDerWaalsContact O-N 3.17Å; L50-T53 WeakPolarHBondContact O-CB 3.29Å; L50-T53 PolarHBondContact O-N 3.43Å; L50-T53 PolarHBondContact O-OG1 2.98Å; L50-F56 HydrophobicContact CB-CD2 3.71Å; L50-F56 HydrophobicContact CB-CE2 3.7Å; L50-F56 WeakPolarHBondContact O-CB 3.35Å; L50-F56 WeakPolarHBondContact O-CD2 3.2Å; L50-F56 WeakPolarHBondContact O-CG 3.44Å
51E88.3Confident90.6Very high29 Ų2945 Ų4514%0.13624%0.244CC..THydrogen-bonded Turntrans-62.7-25.5-173.278.8-172.3179.400113.9I47 K48 T53 F56 H88I47-E51 PolarHBondContact O-N 2.99Å; K48-E51 WeakPolarHBondContact O-CG 3.46Å; E51-T53 VanDerWaalsContact C-N 3.27Å; E51-T53 PolarHBondContact O-N 3.08Å; E51-F56 HydrophobicContact CB-CD1 4.02Å; E51-F56 HydrophobicContact CB-CE1 3.68Å; E51-F56 HydrophobicContact CB-CZ 4.05Å; E51-H88 IonicContact OE1-NE2 2.69Å
52V84.2Confident90.8Very high77 Ų7745.3 Ų45.347%0.46724%0.237SC..THydrogen-bonded Turntrans-80.3-2.9177-60.60000114V49 L50 P99V49-V52 VanDerWaalsContact O-CG2 3.3Å; V49-V52 WeakPolarHBondContact O-CG2 3.25Å; L50-V52 PolarHBondContact O-N 3.46Å; L50-V52 VanDerWaalsContact O-N 3.17Å; V52-P99 HydrophobicContact CB-CG 4.48Å
53T87.3Confident90.9Very high43 Ų4342.9 Ų42.926%0.26422%0.215SC..SBendtrans-85.8140.9178.867.70000111.7L21 L50 E51 E55 F56L21-T53 HydrophobicContact CD2-CG2 4.36Å; L50-T53 WeakPolarHBondContact O-CB 3.29Å; L50-T53 PolarHBondContact O-N 3.43Å; L50-T53 PolarHBondContact O-OG1 2.98Å; E51-T53 VanDerWaalsContact C-N 3.27Å; E51-T53 PolarHBondContact O-N 3.08Å; T53-E55 VanDerWaalsContact C-N 3.28Å; T53-E55 PolarHBondContact O-N 2.89Å; T53-F56 VanDerWaalsContact O-CB 3.31Å; T53-F56 WeakPolarHBondContact O-CB 3.4Å; T53-F56 PolarHBondContact O-N 2.95Å; T53-F56 VanDerWaalsContact O-N 3.15Å
54E84.4Confident91Very high95 Ų9542.5 Ų42.544%0.44421%0.212SC..THydrogen-bonded Turntrans-59.6-35.1-173.8-175.5174.4-174.700113.5T102E54-T102 HydrophobicContact CG-CG2 3.73Å; E54-T102 WeakPolarHBondContact CG-OG1 3.33Å; E54-T102 WeakPolarHBondContact OE1-CB 3.3Å; E54-T102 WeakPolarHBondContact OE1-CG2 3.03Å; E54-T102 PolarHBondContact OE1-OG1 2.83Å
55E89.5Confident91.1Very high47 Ų4738.6 Ų38.622%0.2220%0.195CC..THydrogen-bonded Turntrans-90.60.4-176.7-58.3-73.7171.800112.9T53 V58 H59 R104T53-E55 VanDerWaalsContact C-N 3.28Å; T53-E55 PolarHBondContact O-N 2.89Å; E55-V58 WeakPolarHBondContact O-CB 3.46Å; E55-V58 PolarHBondContact O-N 3.11Å; E55-H59 PolarHBondContact O-CD2 3.5Å; E55-H59 PolarHBondContact O-N 2.86Å; E55-R104 IonicContact OE1-CZ 3.19Å; E55-R104 IonicContact OE1-NH2 2.6Å; E55-R104 PolarHBondContact OE1-NH2 2.96Å
56F93.3Very high91.1Very high5 Ų536.3 Ų36.32%0.02219%0.186CC..Hα-helixtrans-59.2-54.3-176.5179-108.3000112.8L25 I47 L50 E51 T53 V58 H59 L60 I80 Y84L25-F56 HydrophobicContact CD1-CD2 4.22Å; L25-F56 HydrophobicContact CD1-CE2 3.66Å; I47-F56 HydrophobicContact CG2-CZ 4.33Å; L50-F56 HydrophobicContact CB-CD2 3.71Å; L50-F56 HydrophobicContact CB-CE2 3.7Å; L50-F56 WeakPolarHBondContact O-CB 3.35Å; L50-F56 WeakPolarHBondContact O-CD2 3.2Å; L50-F56 WeakPolarHBondContact O-CG 3.44Å; E51-F56 HydrophobicContact CB-CD1 4.02Å; E51-F56 HydrophobicContact CB-CE1 3.68Å; E51-F56 HydrophobicContact CB-CZ 4.05Å; T53-F56 VanDerWaalsContact O-CB 3.31Å; T53-F56 WeakPolarHBondContact O-CB 3.4Å; T53-F56 PolarHBondContact O-N 2.95Å; T53-F56 VanDerWaalsContact O-N 3.15Å; F56-V58 VanDerWaalsContact C-N 3.25Å; F56-V58 PolarHBondContact O-N 3.21Å; F56-H59 PolarHBondContact O-N 3.16Å; F56-L60 HydrophobicContact CD1-CD1 3.74Å; F56-L60 HydrophobicContact CE1-CD1 3.36Å; F56-L60 HydrophobicContact CE1-CG 4.33Å; F56-L60 HydrophobicContact CE2-CD1 4.32Å; F56-L60 HydrophobicContact CG-CD1 4.41Å; F56-L60 HydrophobicContact CZ-CD1 3.69Å; F56-L60 HydrophobicContact CZ-CG 4.32Å; F56-L60 WeakPolarHBondContact O-CG 3.36Å; F56-L60 PolarHBondContact O-N 3.47Å; F56-I80 HydrophobicContact CE1-CG2 4.17Å; F56-I80 HydrophobicContact CZ-CG2 3.91Å; F56-Y84 AromaticContact CD1-CD2 3.61Å; F56-Y84 HydrophobicContact CD1-CD2 3.61Å; F56-Y84 AromaticContact CD1-CE2 3.85Å; F56-Y84 HydrophobicContact CD1-CE2 3.85Å; F56-Y84 HydrophobicContact CD1-CG 4.29Å; F56-Y84 AromaticContact CE1-CD2 3.9Å; F56-Y84 HydrophobicContact CE1-CD2 3.9Å; F56-Y84 HydrophobicContact CE1-CG 4.45Å
57G93.4Very high91Very high0 Ų036.7 Ų36.70%020%0.195CC..Hα-helixtrans-61.4-34.6178.200000112.6L60 A61 I109G57-L60 PolarHBondContact O-N 3.39Å; G57-A61 PolarHBondContact O-N 3.32Å; G57-I109 VanDerWaalsContact C-CD1 3.49Å
58V95.3Very high90.9Very high4 Ų444.5 Ų44.52%0.02423%0.231CC..Hα-helixtrans-64.5-49.6176176.50000110.4E55 F56 L60 A61 E62 A105 V108 I109 L112E55-V58 WeakPolarHBondContact O-CB 3.46Å; E55-V58 PolarHBondContact O-N 3.11Å; F56-V58 VanDerWaalsContact C-N 3.25Å; F56-V58 PolarHBondContact O-N 3.21Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 3.44Å; V58-A61 PolarHBondContact O-N 3.25Å; V58-E62 HydrophobicContact CG1-CG 4.46Å; V58-E62 WeakPolarHBondContact O-CG 3.5Å; V58-E62 PolarHBondContact O-N 2.96Å; V58-A105 HydrophobicContact CG2-CB 3.85Å; V58-V108 HydrophobicContact CG1-CB 4.47Å; V58-V108 HydrophobicContact CG1-CG1 3.64Å; V58-V108 HydrophobicContact CG2-CB 4.22Å; V58-V108 HydrophobicContact CG2-CG1 4.26Å; V58-I109 HydrophobicContact CG2-CD1 4.48Å; V58-I109 HydrophobicContact CG2-CG1 4.18Å; V58-L112 HydrophobicContact CG1-CD1 4.48Å
59H94.8Very high90.9Very high12 Ų1240.3 Ų40.36%0.05622%0.22CC..Hα-helixtrans-65.6-35.2178.7-67.8-41.6000112.8L25 E55 F56 E62 L63L25-H59 HydrophobicContact CD2-CB 3.67Å; E55-H59 PolarHBondContact O-CD2 3.5Å; E55-H59 PolarHBondContact O-N 2.86Å; F56-H59 PolarHBondContact O-N 3.16Å; H59-E62 IonicContact CE1-OE2 3.38Å; H59-E62 IonicContact ND1-OE2 3.9Å; H59-E62 PolarHBondContact ND1-OE2 2.91Å; H59-E62 VanDerWaalsContact ND1-OE2 3.07Å; H59-E62 PolarHBondContact O-N 2.98Å; H59-L63 WeakPolarHBondContact O-CB 3.37Å; H59-L63 WeakPolarHBondContact O-CG 3.23Å; H59-L63 PolarHBondContact O-N 3.4Å
60L95.3Very high91.1Very high0 Ų039.5 Ų39.50%022%0.222CC..Hα-helixtrans-60.4-48171.1-72.4173.2000111.2L25 F56 G57 V58 E62 L63 T64 A77 I80 L81L25-L60 HydrophobicContact CD1-CD2 4.3Å; L25-L60 HydrophobicContact CD2-CD2 3.99Å; L25-L60 HydrophobicContact CD2-CG 4.16Å; F56-L60 HydrophobicContact CD1-CD1 3.74Å; F56-L60 HydrophobicContact CE1-CD1 3.36Å; F56-L60 HydrophobicContact CE1-CG 4.33Å; F56-L60 HydrophobicContact CE2-CD1 4.32Å; F56-L60 HydrophobicContact CG-CD1 4.41Å; F56-L60 HydrophobicContact CZ-CD1 3.69Å; F56-L60 HydrophobicContact CZ-CG 4.32Å; F56-L60 WeakPolarHBondContact O-CG 3.36Å; F56-L60 PolarHBondContact O-N 3.47Å; G57-L60 PolarHBondContact O-N 3.39Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 3.44Å; L60-E62 PolarHBondContact O-N 2.63Å; L60-L63 PolarHBondContact O-N 3.44Å; L60-T64 PolarHBondContact O-N 3.46Å; L60-T64 PolarHBondContact O-OG1 3.02Å; L60-A77 HydrophobicContact CD2-CB 4.04Å; L60-I80 HydrophobicContact CD1-CB 4.3Å; L60-I80 HydrophobicContact CD1-CG2 3.69Å; L60-I80 HydrophobicContact CD2-CB 4.23Å; L60-I80 HydrophobicContact CD2-CG2 4.14Å; L60-L81 HydrophobicContact CB-CB 4.16Å; L60-L81 HydrophobicContact CB-CD1 4.18Å; L60-L81 HydrophobicContact CD1-CB 4.4Å
61A95Very high91.1Very high0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-60.3-45176.800000111.9G57 V58 L63 T64 V65 L81 I109 L112 L113G57-A61 PolarHBondContact O-N 3.32Å; V58-A61 PolarHBondContact O-N 3.25Å; A61-L63 VanDerWaalsContact C-N 3.35Å; A61-L63 PolarHBondContact O-N 2.69Å; A61-T64 PolarHBondContact O-N 2.9Å; A61-V65 WeakPolarHBondContact O-CG2 3.17Å; A61-V65 PolarHBondContact O-N 3.04Å; A61-V65 VanDerWaalsContact O-N 3.07Å; A61-L81 HydrophobicContact CB-CD2 4.02Å; A61-I109 HydrophobicContact CB-CB 4.5Å; A61-I109 HydrophobicContact CB-CG1 4.16Å; A61-I109 HydrophobicContact CB-CG2 4.21Å; A61-L112 HydrophobicContact CB-CB 4.41Å; A61-L112 HydrophobicContact CB-CD1 4.17Å; A61-L113 HydrophobicContact CB-CD2 4.07Å; A61-L113 HydrophobicContact CB-CG 4.34Å
62E95Very high91.3Very high57 Ų5742.9 Ų42.927%0.26625%0.248SC..Hα-helixtrans-58.2-44.5174.9-71.8179.4158.400112.2K22 V58 H59 L60 D66 L112K22-E62 WeakPolarHBondContact CE-OE2 3.35Å; K22-E62 IonicContact NZ-OE2 3.37Å; K22-E62 PolarHBondContact NZ-OE2 2.6Å; V58-E62 HydrophobicContact CG1-CG 4.46Å; V58-E62 WeakPolarHBondContact O-CG 3.5Å; V58-E62 PolarHBondContact O-N 2.96Å; H59-E62 IonicContact CE1-OE2 3.38Å; H59-E62 IonicContact ND1-OE2 3.9Å; H59-E62 PolarHBondContact ND1-OE2 2.91Å; H59-E62 VanDerWaalsContact ND1-OE2 3.07Å; H59-E62 PolarHBondContact O-N 2.98Å; L60-E62 PolarHBondContact O-N 2.63Å; E62-D66 WeakPolarHBondContact O-CB 3.45Å; E62-D66 PolarHBondContact O-N 3.29Å; E62-L112 HydrophobicContact CG-CD1 3.68Å
63L94Very high91.7Very high12 Ų1240.1 Ų40.16%0.06323%0.23CC..Hα-helixtrans-68.5-37.3179-71.7173000111.7L25 V26 L29 H59 L60 A61 R74 A77L25-L63 HydrophobicContact CD2-CD1 3.76Å; L25-L63 HydrophobicContact CG-CD1 3.95Å; V26-L63 HydrophobicContact CG2-CD1 3.99Å; V26-L63 HydrophobicContact CG2-CD2 3.58Å; V26-L63 HydrophobicContact CG2-CG 4.45Å; L29-L63 HydrophobicContact CD1-CD1 3.75Å; H59-L63 WeakPolarHBondContact O-CB 3.37Å; H59-L63 WeakPolarHBondContact O-CG 3.23Å; H59-L63 PolarHBondContact O-N 3.4Å; L60-L63 PolarHBondContact O-N 3.44Å; A61-L63 VanDerWaalsContact C-N 3.35Å; A61-L63 PolarHBondContact O-N 2.69Å; L63-R74 WeakPolarHBondContact O-CG 3.19Å; L63-A77 HydrophobicContact CB-CB 3.98Å
64T93.2Very high91.9Very high1 Ų138.3 Ų38.31%0.00622%0.219CC..Hα-helixtrans-61.3-46.7175.8-64.80000111.5L60 A61 R74 S78 V128L60-T64 PolarHBondContact O-N 3.46Å; L60-T64 PolarHBondContact O-OG1 3.02Å; A61-T64 PolarHBondContact O-N 2.9Å; T64-R74 PolarHBondContact O-NE 3.35Å; T64-R74 VanDerWaalsContact O-NE 3.17Å; T64-S78 WeakPolarHBondContact OG1-CA 3.5Å; T64-S78 PolarHBondContact OG1-N 3.33Å; T64-S78 VanDerWaalsContact OG1-N 3.13Å; T64-V128 HydrophobicContact CG2-CG2 3.55Å
65V92.9Very high92.2Very high21 Ų2136.5 Ų36.513%0.12721%0.21CC..Hα-helixtrans-89.72-175.7-52.30000114.4A61 P67 L113A61-V65 WeakPolarHBondContact O-CG2 3.17Å; A61-V65 PolarHBondContact O-N 3.04Å; A61-V65 VanDerWaalsContact O-N 3.07Å; V65-P67 WeakPolarHBondContact O-CD 3.44Å; V65-L113 HydrophobicContact CG1-CD2 4.32Å
66D92.2Very high92.3Very high53 Ų5335.8 Ų35.828%0.28321%0.208SC..  trans-72.7110.8178-179.14.3000111.5E62 Q68 G69 R74E62-D66 WeakPolarHBondContact O-CB 3.45Å; E62-D66 PolarHBondContact O-N 3.29Å; D66-Q68 PolarHBondContact O-N 3.2Å; D66-Q68 PolarHBondContact OD1-N 3.07Å; D66-G69 PolarHBondContact O-N 3.08Å; D66-G69 VanDerWaalsContact O-N 3.16Å; D66-R74 VanDerWaalsContact O-CD 3.29Å; D66-R74 WeakPolarHBondContact O-CD 3.36Å; D66-R74 PolarHBondContact O-NE 3.4Å
67P87.8Confident92.3Very high90 Ų9035.6 Ų35.658%0.58421%0.207SC*.THydrogen-bonded Turntrans-67.2-19.3-179.428.9-35.6000113.1V65V65-P67 WeakPolarHBondContact O-CD 3.44Å
68Q89.3Confident92.3Very high180 Ų18035.7 Ų35.784%0.84121%0.208SC*.THydrogen-bonded Turntrans-91.9-8.4178.3-60-173.9300113D66D66-Q68 PolarHBondContact O-N 3.2Å; D66-Q68 PolarHBondContact OD1-N 3.07Å
69G87.7Confident92.1Very high24 Ų2439.8 Ų39.825%0.24723%0.233CC..SBendtrans-71.6151.3-179.800000113.5D66 L71 R74D66-G69 PolarHBondContact O-N 3.08Å; D66-G69 VanDerWaalsContact O-N 3.16Å; G69-L71 PolarHBondContact O-N 3.27Å; G69-R74 WeakPolarHBondContact O-CD 3.31Å
70A91Very high92Very high66 Ų6639.9 Ų39.955%0.54523%0.233SC..  trans-63.7127.9173.400000110.7A72 I73 R74A70-A72 VanDerWaalsContact C-N 3.27Å; A70-A72 PolarHBondContact O-N 3.32Å; A70-A72 VanDerWaalsContact O-N 3.12Å; A70-I73 HydrophobicContact CB-CB 4.47Å; A70-I73 HydrophobicContact CB-CG1 4.14Å; A70-I73 WeakPolarHBondContact O-CB 3.49Å; A70-I73 PolarHBondContact O-N 2.78Å; A70-R74 WeakPolarHBondContact O-CG 3.44Å; A70-R74 PolarHBondContact O-N 2.91Å
71L89.8Confident92Very high63 Ų6339.9 Ų39.933%0.3323%0.233SC..Hα-helixtrans-50.2-43.9-174.217859.8000113.5G69 I73 R74 Q75 I121 V124G69-L71 PolarHBondContact O-N 3.27Å; L71-I73 VanDerWaalsContact C-N 3.32Å; L71-I73 PolarHBondContact O-N 2.91Å; L71-R74 WeakPolarHBondContact O-CB 3.49Å; L71-R74 PolarHBondContact O-N 3.44Å; L71-Q75 HydrophobicContact CD1-CG 4Å; L71-Q75 HydrophobicContact CG-CG 4.38Å; L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.67Å; L71-I121 HydrophobicContact CD1-CD1 4.07Å; L71-I121 HydrophobicContact CD1-CG2 3.93Å; L71-I121 HydrophobicContact CD2-CG2 4.4Å; L71-V124 HydrophobicContact CD1-CG2 3.44Å; L71-V124 VanDerWaalsContact CD1-CG2 3.44Å
72A91Very high91.8Very high50 Ų5044 Ų4441%0.41325%0.251SS..Hα-helixtrans-62.3-38179.900000112.7L33 A70 L76L33-A72 HydrophobicContact CD1-CB 3.63Å; A70-A72 VanDerWaalsContact C-N 3.27Å; A70-A72 PolarHBondContact O-N 3.32Å; A70-A72 VanDerWaalsContact O-N 3.12Å; A72-L76 VanDerWaalsContact O-CB 3.29Å; A72-L76 WeakPolarHBondContact O-CB 3.28Å; A72-L76 PolarHBondContact O-N 3.14Å
73I92.5Very high91.6Very high19 Ų1946.2 Ų46.210%0.09726%0.262CS..Hα-helixtrans-68.8-42.2175.5-60.6-67.4000110.3L29 L33 A70 L71 Q75 L76 A77L29-I73 HydrophobicContact CB-CD1 3.73Å; L29-I73 HydrophobicContact CB-CG2 4.25Å; L29-I73 HydrophobicContact CD1-CG2 3.79Å; L33-I73 HydrophobicContact CD1-CD1 3.73Å; L33-I73 HydrophobicContact CD1-CG1 4.39Å; A70-I73 HydrophobicContact CB-CB 4.47Å; A70-I73 HydrophobicContact CB-CG1 4.14Å; A70-I73 WeakPolarHBondContact O-CB 3.49Å; A70-I73 PolarHBondContact O-N 2.78Å; L71-I73 VanDerWaalsContact C-N 3.32Å; L71-I73 PolarHBondContact O-N 2.91Å; I73-Q75 PolarHBondContact O-N 3.44Å; I73-L76 PolarHBondContact O-N 2.81Å; I73-A77 WeakPolarHBondContact O-CB 3.47Å; I73-A77 PolarHBondContact O-N 2.93Å
74R92.9Very high91.6Very high5 Ų546.1 Ų46.12%0.01926%0.26CS..Hα-helixtrans-60.5-45.5177.8-60175.464178.57.5111.8L63 T64 D66 G69 A70 L71 S78 E119L63-R74 WeakPolarHBondContact O-CG 3.19Å; T64-R74 PolarHBondContact O-NE 3.35Å; T64-R74 VanDerWaalsContact O-NE 3.17Å; D66-R74 VanDerWaalsContact O-CD 3.29Å; D66-R74 WeakPolarHBondContact O-CD 3.36Å; D66-R74 PolarHBondContact O-NE 3.4Å; G69-R74 WeakPolarHBondContact O-CD 3.31Å; A70-R74 WeakPolarHBondContact O-CG 3.44Å; A70-R74 PolarHBondContact O-N 2.91Å; L71-R74 WeakPolarHBondContact O-CB 3.49Å; L71-R74 PolarHBondContact O-N 3.44Å; R74-S78 PolarHBondContact O-N 3.01Å; R74-S78 VanDerWaalsContact O-N 3.08Å; R74-E119 IonicContact CZ-OE2 2.73Å; R74-E119 IonicContact NH1-OE2 3.91Å; R74-E119 PolarHBondContact NH1-OE2 3.08Å; R74-E119 IonicContact NH2-OE1 3.85Å; R74-E119 PolarHBondContact NH2-OE1 2.89Å; R74-E119 IonicContact NH2-OE2 3.62Å; R74-E119 PolarHBondContact NH2-OE2 2.98Å
75Q89.8Confident91.6Very high58 Ų5846.1 Ų46.127%0.27126%0.26SS..Hα-helixtrans-65.4-48.5177.5-69.9-176.1-81.600111.4L71 I73 A77 S78 V79L71-Q75 HydrophobicContact CD1-CG 4Å; L71-Q75 HydrophobicContact CG-CG 4.38Å; L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.67Å; I73-Q75 PolarHBondContact O-N 3.44Å; Q75-A77 PolarHBondContact O-N 2.94Å; Q75-S78 WeakPolarHBondContact O-CB 3.39Å; Q75-S78 PolarHBondContact O-N 3.49Å; Q75-S78 VanDerWaalsContact O-N 3.16Å; Q75-V79 WeakPolarHBondContact O-CG2 3.32Å; Q75-V79 PolarHBondContact O-N 2.62Å
76L91.9Very high91.4Very high32 Ų3247.9 Ų47.917%0.16827%0.267CS..Hα-helixtrans-62.2-43.1178.7-178.460.8000111.6L29 I32 L33 A72 I73 S78 V79 I80L29-L76 HydrophobicContact CB-CD2 4.23Å; L29-L76 HydrophobicContact CD2-CD2 3.92Å; L29-L76 HydrophobicContact CD2-CG 4Å; I32-L76 HydrophobicContact CB-CD2 3.87Å; I32-L76 HydrophobicContact CG2-CD1 4.33Å; I32-L76 HydrophobicContact CG2-CD2 3.71Å; L33-L76 HydrophobicContact CD1-CD2 4.4Å; L33-L76 HydrophobicContact CD2-CD2 3.96Å; L33-L76 HydrophobicContact CG-CD2 3.86Å; A72-L76 VanDerWaalsContact O-CB 3.29Å; A72-L76 WeakPolarHBondContact O-CB 3.28Å; A72-L76 PolarHBondContact O-N 3.14Å; I73-L76 PolarHBondContact O-N 2.81Å; L76-S78 VanDerWaalsContact C-N 3.26Å; L76-S78 PolarHBondContact O-N 3Å; L76-V79 PolarHBondContact O-N 2.76Å; L76-I80 HydrophobicContact CD1-CD1 3.96Å; L76-I80 HydrophobicContact CD1-CG1 4.32Å; L76-I80 HydrophobicContact CD2-CD1 4.47Å; L76-I80 HydrophobicContact CG-CD1 3.77Å; L76-I80 WeakPolarHBondContact O-CD1 3.44Å; L76-I80 WeakPolarHBondContact O-CG1 3.41Å; L76-I80 PolarHBondContact O-N 3.42Å
77A94.3Very high91.4Very high0 Ų045.7 Ų45.70%026%0.256CS..Hα-helixtrans-57.7-40.3174.700000111.7L29 L60 L63 I73 Q75 I80 L81L29-A77 HydrophobicContact CD1-CB 4.01Å; L60-A77 HydrophobicContact CD2-CB 4.04Å; L63-A77 HydrophobicContact CB-CB 3.98Å; I73-A77 WeakPolarHBondContact O-CB 3.47Å; I73-A77 PolarHBondContact O-N 2.93Å; Q75-A77 PolarHBondContact O-N 2.94Å; A77-I80 PolarHBondContact O-N 3.2Å; A77-L81 VanDerWaalsContact O-CB 3.27Å; A77-L81 WeakPolarHBondContact O-CB 3.39Å; A77-L81 PolarHBondContact O-N 2.95Å
78S92.6Very high91.6Very high3 Ų341.5 Ų41.52%0.02123%0.229CC..Hα-helixtrans-68.3-37.6178-164.70000112.9T64 R74 Q75 L76 L81 K82 S127T64-S78 WeakPolarHBondContact OG1-CA 3.5Å; T64-S78 PolarHBondContact OG1-N 3.33Å; T64-S78 VanDerWaalsContact OG1-N 3.13Å; R74-S78 PolarHBondContact O-N 3.01Å; R74-S78 VanDerWaalsContact O-N 3.08Å; Q75-S78 WeakPolarHBondContact O-CB 3.39Å; Q75-S78 PolarHBondContact O-N 3.49Å; Q75-S78 VanDerWaalsContact O-N 3.16Å; L76-S78 VanDerWaalsContact C-N 3.26Å; L76-S78 PolarHBondContact O-N 3Å; S78-L81 PolarHBondContact O-N 3.38Å; S78-K82 PolarHBondContact O-N 3.26Å; S78-S127 VanDerWaalsContact OG-C 3.26Å; S78-S127 VanDerWaalsContact OG-CB 3.29Å; S78-S127 WeakPolarHBondContact OG-CB 3.36Å; S78-S127 PolarHBondContact OG-O 2.79Å; S78-S127 VanDerWaalsContact OG-O 3.1Å
79V91.2Very high91.9Very high90 Ų9033 Ų3355%0.54519%0.189SC..Hα-helixtrans-65.9-45.7176.4172.20000110.3Q75 L76 L81 K82 Q83Q75-V79 WeakPolarHBondContact O-CG2 3.32Å; Q75-V79 PolarHBondContact O-N 2.62Å; L76-V79 PolarHBondContact O-N 2.76Å; V79-L81 VanDerWaalsContact C-N 3.3Å; V79-L81 PolarHBondContact O-N 2.99Å; V79-K82 WeakPolarHBondContact O-CB 3.49Å; V79-K82 PolarHBondContact O-N 2.96Å; V79-Q83 PolarHBondContact O-N 3.27Å; V79-Q83 VanDerWaalsContact O-N 3.1Å
80I93.4Very high92Very high13 Ų1332.7 Ų32.77%0.06718%0.182CC..Hα-helixtrans-66.3-36.1176.7-63.3157.2000110.5L29 I47 F56 L60 L76 A77 K82 Q83 Y84L29-I80 HydrophobicContact CD2-CD1 3.2Å; I47-I80 HydrophobicContact CD1-CD1 3.37Å; I47-I80 HydrophobicContact CD1-CG1 4.17Å; I47-I80 HydrophobicContact CD1-CG2 4.43Å; F56-I80 HydrophobicContact CE1-CG2 4.17Å; F56-I80 HydrophobicContact CZ-CG2 3.91Å; L60-I80 HydrophobicContact CD1-CB 4.3Å; L60-I80 HydrophobicContact CD1-CG2 3.69Å; L60-I80 HydrophobicContact CD2-CB 4.23Å; L60-I80 HydrophobicContact CD2-CG2 4.14Å; L76-I80 HydrophobicContact CD1-CD1 3.96Å; L76-I80 HydrophobicContact CD1-CG1 4.32Å; L76-I80 HydrophobicContact CD2-CD1 4.47Å; L76-I80 HydrophobicContact CG-CD1 3.77Å; L76-I80 WeakPolarHBondContact O-CD1 3.44Å; L76-I80 WeakPolarHBondContact O-CG1 3.41Å; L76-I80 PolarHBondContact O-N 3.42Å; A77-I80 PolarHBondContact O-N 3.2Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 3.28Å; I80-Q83 WeakPolarHBondContact O-CB 3.34Å; I80-Q83 PolarHBondContact O-N 3.35Å; I80-Y84 WeakPolarHBondContact O-CB 3.3Å; I80-Y84 PolarHBondContact O-N 3.26Å
81L94.6Very high91.8Very high0 Ų032 Ų320%018%0.177CC..Hα-helixtrans-61.3-41.5174.9-177.460.1000111.6L60 A61 A77 S78 V79 Y84 V85 L113 A131L60-L81 HydrophobicContact CB-CB 4.16Å; L60-L81 HydrophobicContact CB-CD1 4.18Å; L60-L81 HydrophobicContact CD1-CB 4.4Å; A61-L81 HydrophobicContact CB-CD2 4.02Å; A77-L81 VanDerWaalsContact O-CB 3.27Å; A77-L81 WeakPolarHBondContact O-CB 3.39Å; A77-L81 PolarHBondContact O-N 2.95Å; S78-L81 PolarHBondContact O-N 3.38Å; V79-L81 VanDerWaalsContact C-N 3.3Å; V79-L81 PolarHBondContact O-N 2.99Å; L81-Y84 HydrophobicContact CD1-CD1 4.34Å; L81-Y84 WeakPolarHBondContact O-CB 3.41Å; L81-Y84 PolarHBondContact O-N 3.19Å; L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.33Å; L81-V85 PolarHBondContact O-N 2.83Å; L81-L113 HydrophobicContact CD2-CD1 4.05Å; L81-L113 HydrophobicContact CD2-CD2 3.74Å; L81-L113 HydrophobicContact CD2-CG 4.39Å; L81-A131 HydrophobicContact CD2-CB 4.38Å
82K90.4Very high91.4Very high88 Ų8836.1 Ų36.138%0.38319%0.194SC..Hα-helixtrans-59.7-47.8173.1-178-172.5172.6-175.10111.1S78 V79 I80 Y84 V85 E86 A134S78-K82 PolarHBondContact O-N 3.26Å; V79-K82 WeakPolarHBondContact O-CB 3.49Å; V79-K82 PolarHBondContact O-N 2.96Å; I80-K82 VanDerWaalsContact C-N 3.32Å; I80-K82 PolarHBondContact O-N 3.28Å; K82-Y84 VanDerWaalsContact C-N 3.3Å; K82-Y84 PolarHBondContact O-N 3.39Å; K82-V85 WeakPolarHBondContact O-CB 3.27Å; K82-V85 PolarHBondContact O-N 2.9Å; K82-V85 VanDerWaalsContact O-N 3.11Å; K82-E86 VanDerWaalsContact CE-OE1 3.25Å; K82-E86 WeakPolarHBondContact CE-OE1 3.36Å; K82-E86 PolarHBondContact O-N 3.14Å; K82-A134 HydrophobicContact CG-CB 4.43Å
83Q91.4Very high91.1Very high103 Ų10334.6 Ų34.648%0.48118%0.181SC..Hα-helixtrans-59.4-42.9177.1-175.3175.61100111.6V79 I80 V85 E86 T87V79-Q83 PolarHBondContact O-N 3.27Å; V79-Q83 VanDerWaalsContact O-N 3.1Å; I80-Q83 WeakPolarHBondContact O-CB 3.34Å; I80-Q83 PolarHBondContact O-N 3.35Å; Q83-V85 VanDerWaalsContact C-N 3.29Å; Q83-V85 PolarHBondContact O-N 2.74Å; Q83-E86 PolarHBondContact O-N 3.49Å; Q83-T87 HydrophobicContact CG-CG2 4.49Å; Q83-T87 WeakPolarHBondContact O-CG2 3.38Å; Q83-T87 PolarHBondContact O-N 3.25Å; Q83-T87 PolarHBondContact O-OG1 2.86Å
84Y93.7Very high90.7Very high10 Ų1043.4 Ų43.44%0.03922%0.221CC..Hα-helixtrans-60.3-38.3175.3178.5-96.6000112F56 I80 L81 K82 T87 H88 T101F56-Y84 AromaticContact CD1-CD2 3.61Å; F56-Y84 HydrophobicContact CD1-CD2 3.61Å; F56-Y84 AromaticContact CD1-CE2 3.85Å; F56-Y84 HydrophobicContact CD1-CE2 3.85Å; F56-Y84 HydrophobicContact CD1-CG 4.29Å; F56-Y84 AromaticContact CE1-CD2 3.9Å; F56-Y84 HydrophobicContact CE1-CD2 3.9Å; F56-Y84 HydrophobicContact CE1-CG 4.45Å; I80-Y84 WeakPolarHBondContact O-CB 3.3Å; I80-Y84 PolarHBondContact O-N 3.26Å; L81-Y84 HydrophobicContact CD1-CD1 4.34Å; L81-Y84 WeakPolarHBondContact O-CB 3.41Å; L81-Y84 PolarHBondContact O-N 3.19Å; K82-Y84 VanDerWaalsContact C-N 3.3Å; K82-Y84 PolarHBondContact O-N 3.39Å; Y84-T87 PolarHBondContact O-N 3.16Å; Y84-H88 HydrophobicContact CD2-CB 4.02Å; Y84-H88 AromaticContact CD2-CD2 3.47Å; Y84-H88 VanDerWaalsContact CD2-CD2 3.47Å; Y84-H88 WeakPolarHBondContact CD2-CD2 3.49Å; Y84-H88 HydrophobicContact CE1-CB 4.47Å; Y84-H88 HydrophobicContact CE2-CB 3.69Å; Y84-H88 AromaticContact CE2-CD2 3.7Å; Y84-H88 AromaticContact CE2-CG 3.81Å; Y84-H88 WeakPolarHBondContact O-CB 3.3Å; Y84-H88 PolarHBondContact O-N 2.89Å; Y84-T101 HydrophobicContact CE1-CG2 3.98Å; Y84-T101 WeakPolarHBondContact CE1-OG1 3.33Å; Y84-T101 WeakPolarHBondContact OH-CG2 3.45Å; Y84-T101 PolarHBondContact OH-OG1 3.48Å
85V92.6Very high90.5Very high1 Ų149 Ų491%0.00625%0.246CC..Hα-helixtrans-64.8-46175.1172.50000110.6L81 K82 Q83 T87 W89 A134 I135L81-V85 VanDerWaalsContact O-CG2 3.31Å; L81-V85 WeakPolarHBondContact O-CG2 3.33Å; L81-V85 PolarHBondContact O-N 2.83Å; K82-V85 WeakPolarHBondContact O-CB 3.27Å; K82-V85 PolarHBondContact O-N 2.9Å; K82-V85 VanDerWaalsContact O-N 3.11Å; Q83-V85 VanDerWaalsContact C-N 3.29Å; Q83-V85 PolarHBondContact O-N 2.74Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-T87 PolarHBondContact O-N 3.09Å; V85-W89 HydrophobicContact CB-CB 4.41Å; V85-W89 HydrophobicContact CG1-CB 3.96Å; V85-W89 HydrophobicContact CG1-CD2 4.3Å; V85-W89 HydrophobicContact CG1-CG 4.06Å; V85-W89 HydrophobicContact CG2-CD2 4.35Å; V85-W89 HydrophobicContact CG2-CE3 3.82Å; V85-W89 HydrophobicContact CG2-CZ3 4.22Å; V85-W89 WeakPolarHBondContact O-CB 3.3Å; V85-W89 PolarHBondContact O-N 3.23Å; V85-A134 HydrophobicContact CG1-CB 4.14Å; V85-I135 HydrophobicContact CB-CG1 4.48Å; V85-I135 HydrophobicContact CG1-CG1 3.99Å; V85-I135 HydrophobicContact CG2-CD1 4.09Å; V85-I135 HydrophobicContact CG2-CG1 3.6Å
86E90Very high90.5Very high57 Ų5748.8 Ų48.827%0.26624%0.244SC..Hα-helixtrans-62.7-34.8177.8-70-179.3-15800113.1K82 Q83 S93 K95K82-E86 VanDerWaalsContact CE-OE1 3.25Å; K82-E86 WeakPolarHBondContact CE-OE1 3.36Å; K82-E86 PolarHBondContact O-N 3.14Å; Q83-E86 PolarHBondContact O-N 3.49Å; E86-S93 WeakPolarHBondContact O-CB 3.44Å; E86-S93 PolarHBondContact O-OG 3.07Å; E86-K95 HydrophobicContact CB-CD 4.47Å; E86-K95 IonicContact OE2-NZ 3.02Å; E86-K95 PolarHBondContact OE2-NZ 2.89Å
87T91.9Very high90.4Very high8 Ų853.9 Ų53.95%0.04926%0.261CS..Hα-helixtrans-97.7-30-173.159.40000115.1Q83 Y84 V85 K95 F96 R97Q83-T87 HydrophobicContact CG-CG2 4.49Å; Q83-T87 WeakPolarHBondContact O-CG2 3.38Å; Q83-T87 PolarHBondContact O-N 3.25Å; Q83-T87 PolarHBondContact O-OG1 2.86Å; Y84-T87 PolarHBondContact O-N 3.16Å; V85-T87 VanDerWaalsContact C-N 3.31Å; V85-T87 PolarHBondContact O-N 3.09Å; T87-K95 HydrophobicContact CG2-CB 4.46Å; T87-F96 CarbonylContact O-C 3.49Å; T87-F96 VanDerWaalsContact O-CA 3.26Å; T87-F96 WeakPolarHBondContact O-CA 3.43Å; T87-F96 VanDerWaalsContact O-CD2 3.31Å; T87-F96 WeakPolarHBondContact O-CD2 3.26Å; T87-R97 PolarHBondContact O-N 3.39Å
88H92.6Very high90.1Very high2 Ų258.9 Ų58.91%0.00929%0.294CS..Hα-helixtrans-122.5-12.2-172.4-64.1-71.2000113.9E51 Y84 R97 P99 E100 T101E51-H88 IonicContact OE1-NE2 2.69Å; Y84-H88 HydrophobicContact CD2-CB 4.02Å; Y84-H88 AromaticContact CD2-CD2 3.47Å; Y84-H88 VanDerWaalsContact CD2-CD2 3.47Å; Y84-H88 WeakPolarHBondContact CD2-CD2 3.49Å; Y84-H88 HydrophobicContact CE1-CB 4.47Å; Y84-H88 HydrophobicContact CE2-CB 3.69Å; Y84-H88 AromaticContact CE2-CD2 3.7Å; Y84-H88 AromaticContact CE2-CG 3.81Å; Y84-H88 WeakPolarHBondContact O-CB 3.3Å; Y84-H88 PolarHBondContact O-N 2.89Å; H88-R97 PolarHBondContact CE1-O 3.37Å; H88-R97 VanDerWaalsContact CE1-O 3.23Å; H88-R97 PolarHBondContact ND1-O 2.99Å; H88-P99 PolarHBondContact ND1-O 3.19Å; H88-P99 VanDerWaalsContact ND1-O 3.09Å; H88-E100 CarbonylContact O-C 3.56Å; H88-E100 VanDerWaalsContact O-CA 3.28Å; H88-E100 WeakPolarHBondContact O-CA 3.43Å; H88-T101 PolarHBondContact O-N 2.9Å; H88-T101 PolarHBondContact O-OG1 3.5Å
89W93.5Very high89.9Confident1 Ų161.6 Ų61.60%0.00431%0.311CS..SBendtrans-70.5-43.4-171.4-159.7-98.5000113.9V85 T101 K106 I109 I135 D139V85-W89 HydrophobicContact CB-CB 4.41Å; V85-W89 HydrophobicContact CG1-CB 3.96Å; V85-W89 HydrophobicContact CG1-CD2 4.3Å; V85-W89 HydrophobicContact CG1-CG 4.06Å; V85-W89 HydrophobicContact CG2-CD2 4.35Å; V85-W89 HydrophobicContact CG2-CE3 3.82Å; V85-W89 HydrophobicContact CG2-CZ3 4.22Å; V85-W89 WeakPolarHBondContact O-CB 3.3Å; V85-W89 PolarHBondContact O-N 3.23Å; W89-T101 HydrophobicContact CE3-CG2 4.34Å; W89-T101 HydrophobicContact CZ3-CG2 4.34Å; W89-K106 HydrophobicContact CD2-CD 4.45Å; W89-K106 HydrophobicContact CD2-CG 4.32Å; W89-K106 HydrophobicContact CE3-CG 4.41Å; W89-K106 HydrophobicContact CH2-CB 3.94Å; W89-K106 HydrophobicContact CH2-CG 3.82Å; W89-K106 HydrophobicContact CZ2-CB 3.85Å; W89-K106 HydrophobicContact CZ2-CD 4.06Å; W89-K106 HydrophobicContact CZ2-CG 3.67Å; W89-K106 HydrophobicContact CZ3-CG 4.19Å; W89-K106 WeakPolarHBondContact O-CE 3.28Å; W89-K106 PolarHBondContact O-NZ 3.18Å; W89-I109 HydrophobicContact CH2-CB 4.17Å; W89-I109 HydrophobicContact CH2-CD1 4.23Å; W89-I109 HydrophobicContact CH2-CG2 4.05Å; W89-I109 HydrophobicContact CZ3-CB 4.47Å; W89-I109 HydrophobicContact CZ3-CD1 3.76Å; W89-I109 HydrophobicContact CZ3-CG2 4.25Å; W89-I135 HydrophobicContact CH2-CD1 3.88Å; W89-I135 HydrophobicContact CH2-CG1 4.06Å; W89-I135 HydrophobicContact CH2-CG2 4.12Å; W89-I135 HydrophobicContact CZ2-CB 4.35Å; W89-I135 HydrophobicContact CZ2-CD1 4.28Å; W89-I135 HydrophobicContact CZ2-CG1 4.04Å; W89-I135 HydrophobicContact CZ2-CG2 3.44Å; W89-I135 VanDerWaalsContact CZ2-CG2 3.44Å; W89-I135 HydrophobicContact CZ3-CD1 4.23Å; W89-I135 HydrophobicContact CZ3-CG1 4.33Å; W89-D139 PolarHBondContact NE1-OD1 3.26Å
90C89.8Confident89.9Confident17 Ų1761.5 Ų61.512%0.11531%0.305CS..  trans-136.5129.1-175.4-177.30000110.5Q92 S93 F96 W138C90-Q92 PolarHBondContact O-N 3.35Å; C90-S93 WeakPolarHBondContact O-CB 3.33Å; C90-S93 PolarHBondContact O-N 3.34Å; C90-S93 VanDerWaalsContact O-N 3.1Å; C90-F96 VanDerWaalsContact O-CD2 3.23Å; C90-F96 WeakPolarHBondContact O-CD2 3.44Å; C90-W138 HydrophobicContact CB-CD2 3.73Å; C90-W138 HydrophobicContact CB-CE3 3.62Å; C90-W138 HydrophobicContact CB-CG 4.28Å; C90-W138 HydrophobicContact CB-CH2 4.37Å; C90-W138 HydrophobicContact CB-CZ2 4.47Å; C90-W138 HydrophobicContact CB-CZ3 3.95Å; C90-W138 VanDerWaalsContact SG-CE3 3.58Å
91A87.5Confident89.9Confident52 Ų5261.2 Ų61.243%0.4330%0.304SS..THydrogen-bonded Turntrans-61.7-10.7178.300000114.7F96A91-F96 HydrophobicContact CB-CD1 4.25Å; A91-F96 HydrophobicContact CB-CE1 3.94Å; A91-F96 HydrophobicContact CB-CE2 4.24Å; A91-F96 HydrophobicContact CB-CZ 3.93Å
92Q82Confident89.8Confident150 Ų15063.6 Ų63.670%0.70132%0.318SS*.THydrogen-bonded Turntrans-94.1-7.4179.9-55.8-179.834.100113.4C90 W138C90-Q92 PolarHBondContact O-N 3.35Å; Q92-W138 HydrophobicContact CB-CZ3 4.37Å
93S84.3Confident89.9Confident18 Ų1864.3 Ų64.313%0.12632%0.323CS..SBendtrans-63.4137.6173.4172.20000110.3E86 C90 K95 F96E86-S93 WeakPolarHBondContact O-CB 3.44Å; E86-S93 PolarHBondContact O-OG 3.07Å; C90-S93 WeakPolarHBondContact O-CB 3.33Å; C90-S93 PolarHBondContact O-N 3.34Å; C90-S93 VanDerWaalsContact O-N 3.1Å; S93-K95 PolarHBondContact O-N 3.11Å; S93-K95 PolarHBondContact OG-N 3.5Å; S93-F96 WeakPolarHBondContact O-CB 3.48Å; S93-F96 PolarHBondContact O-N 3.32Å
94E83.9Confident89.9Confident203 Ų20366.8 Ų66.895%0.94933%0.328SS*.THydrogen-bonded Turntrans-60.6-28173.2-64.2-174.2165.600112.3F96E94-F96 VanDerWaalsContact C-N 3.3Å
95K88.6Confident89.9Confident123 Ų12366.4 Ų66.454%0.53533%0.327SS..THydrogen-bonded Turntrans-90.58.7178-58.7-177-169.1172.70112.8E86 T87 S93 R97E86-K95 HydrophobicContact CB-CD 4.47Å; E86-K95 IonicContact OE2-NZ 3.02Å; E86-K95 PolarHBondContact OE2-NZ 2.89Å; T87-K95 HydrophobicContact CG2-CB 4.46Å; S93-K95 PolarHBondContact O-N 3.11Å; S93-K95 PolarHBondContact OG-N 3.5Å; K95-R97 PolarHBondContact O-N 3.46Å
96F90.4Very high90Very high54 Ų5467.2 Ų67.224%0.23733%0.33CS..  trans-61136.1-172.9179.3-109.6000113T87 C90 A91 S93 E94 P98 E100T87-F96 CarbonylContact O-C 3.49Å; T87-F96 VanDerWaalsContact O-CA 3.26Å; T87-F96 WeakPolarHBondContact O-CA 3.43Å; T87-F96 VanDerWaalsContact O-CD2 3.31Å; T87-F96 WeakPolarHBondContact O-CD2 3.26Å; C90-F96 VanDerWaalsContact O-CD2 3.23Å; C90-F96 WeakPolarHBondContact O-CD2 3.44Å; A91-F96 HydrophobicContact CB-CD1 4.25Å; A91-F96 HydrophobicContact CB-CE1 3.94Å; A91-F96 HydrophobicContact CB-CE2 4.24Å; A91-F96 HydrophobicContact CB-CZ 3.93Å; S93-F96 WeakPolarHBondContact O-CB 3.48Å; S93-F96 PolarHBondContact O-N 3.32Å; E94-F96 VanDerWaalsContact C-N 3.3Å; F96-P98 HydrophobicContact CE1-CG 4.04Å; F96-E100 HydrophobicContact CE2-CB 3.94Å; F96-E100 HydrophobicContact CE2-CG 4.28Å; F96-E100 HydrophobicContact CZ-CB 3.95Å
97R89.7Confident90.3Very high138 Ų13867.9 Ų67.952%0.52134%0.335SS..  trans-132.9127.5174.2-63.8179.2-171.9172.22.5108.4T87 H88 K95T87-R97 PolarHBondContact O-N 3.39Å; H88-R97 PolarHBondContact CE1-O 3.37Å; H88-R97 VanDerWaalsContact CE1-O 3.23Å; H88-R97 PolarHBondContact ND1-O 2.99Å; K95-R97 PolarHBondContact O-N 3.46Å
98P87.2Confident90.4Very high105 Ų10569.5 Ų69.568%0.68235%0.345SS*.SBendtrans-60.3147.1173.2-23.133.2000111.9F96F96-P98 HydrophobicContact CE1-CG 4.04Å
99P89.8Confident90.6Very high60 Ų6069.4 Ų69.439%0.3935%0.345SS..SBendcis-83.8157.91.134.2-34.2000113.2V52 H88V52-P99 HydrophobicContact CB-CG 4.48Å; H88-P99 PolarHBondContact ND1-O 3.19Å; H88-P99 VanDerWaalsContact ND1-O 3.09Å
100E91.3Very high90.7Very high89 Ų8970.2 Ų70.242%0.41635%0.348SS..PPolyproline II helixtrans-72.8140167.1-168.8177173.400110.4H88 F96 T102 K106H88-E100 CarbonylContact O-C 3.56Å; H88-E100 VanDerWaalsContact O-CA 3.28Å; H88-E100 WeakPolarHBondContact O-CA 3.43Å; F96-E100 HydrophobicContact CE2-CB 3.94Å; F96-E100 HydrophobicContact CE2-CG 4.28Å; F96-E100 HydrophobicContact CZ-CB 3.95Å; E100-T102 PolarHBondContact O-N 3.48Å; E100-K106 IonicContact OE1-NZ 2.63Å; E100-K106 PolarHBondContact OE1-NZ 2.97Å
101T92.7Very high90.9Very high7 Ų775.8 Ų75.84%0.04337%0.372CS..PPolyproline II helixtrans-56.9129.7176.8-53.40000110.6Y84 H88 W89 A105 K106Y84-T101 HydrophobicContact CE1-CG2 3.98Å; Y84-T101 WeakPolarHBondContact CE1-OG1 3.33Å; Y84-T101 WeakPolarHBondContact OH-CG2 3.45Å; Y84-T101 PolarHBondContact OH-OG1 3.48Å; H88-T101 PolarHBondContact O-N 2.9Å; H88-T101 PolarHBondContact O-OG1 3.5Å; W89-T101 HydrophobicContact CE3-CG2 4.34Å; W89-T101 HydrophobicContact CZ3-CG2 4.34Å; T101-A105 HydrophobicContact CG2-CB 3.8Å; T101-K106 HydrophobicContact CG2-CG 3.8Å; T101-K106 WeakPolarHBondContact O-CE 3.34Å
102T92.8Very high91.3Very high49 Ų4975.2 Ų75.230%0.30136%0.362SS..PPolyproline II helixtrans-67.6147.9-178.569.20000111.3E54 E100 R104 A105 K106E54-T102 HydrophobicContact CG-CG2 3.73Å; E54-T102 WeakPolarHBondContact CG-OG1 3.33Å; E54-T102 WeakPolarHBondContact OE1-CB 3.3Å; E54-T102 WeakPolarHBondContact OE1-CG2 3.03Å; E54-T102 PolarHBondContact OE1-OG1 2.83Å; E100-T102 PolarHBondContact O-N 3.48Å; T102-R104 PolarHBondContact O-N 2.92Å; T102-R104 VanDerWaalsContact O-N 3.16Å; T102-A105 WeakPolarHBondContact O-CB 3.32Å; T102-A105 PolarHBondContact O-N 3.32Å; T102-A105 PolarHBondContact OG1-N 3.45Å; T102-K106 PolarHBondContact O-N 3.29Å
103E91.3Very high91.9Very high103 Ų10368.1 Ų68.148%0.48133%0.328SS..Hα-helixtrans-57.3-34.7180-173.656-149.100112.2K106 I107 R110E103-K106 PolarHBondContact O-N 3.4Å; E103-I107 HydrophobicContact CG-CD1 4.17Å; E103-I107 VanDerWaalsContact O-CG1 3.28Å; E103-I107 WeakPolarHBondContact O-CG1 3.43Å; E103-I107 PolarHBondContact O-N 2.98Å; E103-R110 IonicContact OE1-CZ 2.79Å; E103-R110 IonicContact OE1-NH2 3.54Å; E103-R110 PolarHBondContact OE1-NH2 3.46Å
104R93.2Very high92.4Very high155 Ų15567.7 Ų67.759%0.58533%0.325SS*.Hα-helixtrans-59.8-48.1173.8179.8-175.9152.7-167.1-18.8111.3E55 T102 I107 V108E55-R104 IonicContact OE1-CZ 3.19Å; E55-R104 IonicContact OE1-NH2 2.6Å; E55-R104 PolarHBondContact OE1-NH2 2.96Å; T102-R104 PolarHBondContact O-N 2.92Å; T102-R104 VanDerWaalsContact O-N 3.16Å; R104-I107 PolarHBondContact O-N 3.3Å; R104-V108 WeakPolarHBondContact O-CG2 3.18Å; R104-V108 PolarHBondContact O-N 3.24Å
105A92.9Very high92.8Very high3 Ų363 Ų633%0.02531%0.306CS..Hα-helixtrans-64.6-41.8177.900000111.5V58 T101 T102 I107 V108 I109V58-A105 HydrophobicContact CG2-CB 3.85Å; T101-A105 HydrophobicContact CG2-CB 3.8Å; T102-A105 WeakPolarHBondContact O-CB 3.32Å; T102-A105 PolarHBondContact O-N 3.32Å; T102-A105 PolarHBondContact OG1-N 3.45Å; A105-I107 PolarHBondContact O-N 2.92Å; A105-V108 PolarHBondContact O-N 3.48Å; A105-I109 VanDerWaalsContact O-CG1 3.27Å; A105-I109 WeakPolarHBondContact O-CG1 3.46Å; A105-I109 PolarHBondContact O-N 2.84Å
106K95.3Very high93Very high17 Ų1757.1 Ų57.17%0.07428%0.281CS..Hα-helixtrans-57.2-46.1175.1-66.3-173.8178.1178.50112.3W89 E100 T101 T102 E103 I109 R110W89-K106 HydrophobicContact CD2-CD 4.45Å; W89-K106 HydrophobicContact CD2-CG 4.32Å; W89-K106 HydrophobicContact CE3-CG 4.41Å; W89-K106 HydrophobicContact CH2-CB 3.94Å; W89-K106 HydrophobicContact CH2-CG 3.82Å; W89-K106 HydrophobicContact CZ2-CB 3.85Å; W89-K106 HydrophobicContact CZ2-CD 4.06Å; W89-K106 HydrophobicContact CZ2-CG 3.67Å; W89-K106 HydrophobicContact CZ3-CG 4.19Å; W89-K106 WeakPolarHBondContact O-CE 3.28Å; W89-K106 PolarHBondContact O-NZ 3.18Å; E100-K106 IonicContact OE1-NZ 2.63Å; E100-K106 PolarHBondContact OE1-NZ 2.97Å; T101-K106 HydrophobicContact CG2-CG 3.8Å; T101-K106 WeakPolarHBondContact O-CE 3.34Å; T102-K106 PolarHBondContact O-N 3.29Å; E103-K106 PolarHBondContact O-N 3.4Å; K106-I109 PolarHBondContact O-N 3.01Å; K106-R110 WeakPolarHBondContact O-CB 3.34Å; K106-R110 VanDerWaalsContact O-CG 3.25Å; K106-R110 WeakPolarHBondContact O-CG 3.39Å; K106-R110 PolarHBondContact O-N 3.23Å; K106-R110 PolarHBondContact O-NE 2.91Å
107I94.6Very high93.2Very high71 Ų7154.6 Ų54.636%0.36427%0.27SS..Hα-helixtrans-58.2-49.7176.8-69165.6000110.8E103 R104 A105 I109 R110 E111E103-I107 HydrophobicContact CG-CD1 4.17Å; E103-I107 VanDerWaalsContact O-CG1 3.28Å; E103-I107 WeakPolarHBondContact O-CG1 3.43Å; E103-I107 PolarHBondContact O-N 2.98Å; R104-I107 PolarHBondContact O-N 3.3Å; A105-I107 PolarHBondContact O-N 2.92Å; I107-I109 PolarHBondContact O-N 3.29Å; I107-R110 PolarHBondContact O-N 3.03Å; I107-E111 WeakPolarHBondContact O-CG 3.31Å; I107-E111 PolarHBondContact O-N 2.95Å
108V95.1Very high93.4Very high43 Ų4352.6 Ų52.626%0.26126%0.262SS..Hα-helixtrans-63.9-42.8-177.7177.20000111.7V58 R104 A105 R110 E111 L112V58-V108 HydrophobicContact CG1-CB 4.47Å; V58-V108 HydrophobicContact CG1-CG1 3.64Å; V58-V108 HydrophobicContact CG2-CB 4.22Å; V58-V108 HydrophobicContact CG2-CG1 4.26Å; R104-V108 WeakPolarHBondContact O-CG2 3.18Å; R104-V108 PolarHBondContact O-N 3.24Å; A105-V108 PolarHBondContact O-N 3.48Å; V108-R110 VanDerWaalsContact C-N 3.33Å; V108-R110 PolarHBondContact O-N 2.89Å; V108-E111 PolarHBondContact O-N 3.18Å; V108-L112 HydrophobicContact CG1-CD1 3.82Å; V108-L112 HydrophobicContact CG1-CG 4.28Å; V108-L112 VanDerWaalsContact O-CG 3.31Å; V108-L112 WeakPolarHBondContact O-CG 3.2Å; V108-L112 PolarHBondContact O-N 3.04Å
109I96Very high93.7Very high0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-61.5-43.3177.7-67.2165.1000110.6G57 V58 A61 W89 A105 K106 I107 E111 L112 L113 I135G57-I109 VanDerWaalsContact C-CD1 3.49Å; V58-I109 HydrophobicContact CG2-CD1 4.48Å; V58-I109 HydrophobicContact CG2-CG1 4.18Å; A61-I109 HydrophobicContact CB-CB 4.5Å; A61-I109 HydrophobicContact CB-CG1 4.16Å; A61-I109 HydrophobicContact CB-CG2 4.21Å; W89-I109 HydrophobicContact CH2-CB 4.17Å; W89-I109 HydrophobicContact CH2-CD1 4.23Å; W89-I109 HydrophobicContact CH2-CG2 4.05Å; W89-I109 HydrophobicContact CZ3-CB 4.47Å; W89-I109 HydrophobicContact CZ3-CD1 3.76Å; W89-I109 HydrophobicContact CZ3-CG2 4.25Å; A105-I109 VanDerWaalsContact O-CG1 3.27Å; A105-I109 WeakPolarHBondContact O-CG1 3.46Å; A105-I109 PolarHBondContact O-N 2.84Å; K106-I109 PolarHBondContact O-N 3.01Å; I107-I109 PolarHBondContact O-N 3.29Å; I109-E111 VanDerWaalsContact C-N 3.31Å; I109-E111 PolarHBondContact O-N 3.28Å; I109-L112 PolarHBondContact O-N 3.17Å; I109-L113 HydrophobicContact CG2-CD1 3.59Å; I109-L113 HydrophobicContact CG2-CG 4.05Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.11Å; I109-I135 HydrophobicContact CG2-CD1 3.74Å
110R95.6Very high93.6Very high18 Ų1850.5 Ų50.57%0.06825%0.249CC..Hα-helixtrans-64.5-30.8176.6-72.9-178.8-66.7179.46.6113.4E103 K106 I107 V108 P114 I135 D139 A143 W144E103-R110 IonicContact OE1-CZ 2.79Å; E103-R110 IonicContact OE1-NH2 3.54Å; E103-R110 PolarHBondContact OE1-NH2 3.46Å; K106-R110 WeakPolarHBondContact O-CB 3.34Å; K106-R110 VanDerWaalsContact O-CG 3.25Å; K106-R110 WeakPolarHBondContact O-CG 3.39Å; K106-R110 PolarHBondContact O-N 3.23Å; K106-R110 PolarHBondContact O-NE 2.91Å; I107-R110 PolarHBondContact O-N 3.03Å; V108-R110 VanDerWaalsContact C-N 3.33Å; V108-R110 PolarHBondContact O-N 2.89Å; R110-P114 WeakPolarHBondContact O-CD 3.37Å; R110-P114 VanDerWaalsContact O-CG 3.32Å; R110-P114 WeakPolarHBondContact O-CG 3.42Å; R110-I135 HydrophobicContact CG-CG2 4.21Å; R110-D139 WeakPolarHBondContact CD-OD2 3.45Å; R110-D139 IonicContact CZ-OD2 2.89Å; R110-D139 IonicContact NE-OD2 2.73Å; R110-D139 IonicContact NH1-OD2 3.45Å; R110-D139 PolarHBondContact NH1-OD2 2.96Å; R110-A143 PolarHBondContact NH1-O 3.2Å; R110-W144 HydrophobicContact CB-CD2 4.12Å; R110-W144 HydrophobicContact CB-CH2 4.24Å; R110-W144 HydrophobicContact CB-CZ2 3.77Å; R110-W144 HydrophobicContact CG-CD2 3.73Å; R110-W144 HydrophobicContact CG-CE3 3.78Å; R110-W144 HydrophobicContact CG-CG 4.3Å; R110-W144 HydrophobicContact CG-CH2 4.05Å; R110-W144 HydrophobicContact CG-CZ2 4Å; R110-W144 HydrophobicContact CG-CZ3 3.95Å; R110-W144 VanDerWaalsContact O-CZ2 3.26Å; R110-W144 WeakPolarHBondContact O-CZ2 3.24Å
111E95Very high93.5Very high134 Ų13449 Ų4963%0.62624%0.243SC*.Hα-helixtrans-75.7-34.6173.6-72.4178.7173.900112.6I107 V108 I109 N115I107-E111 WeakPolarHBondContact O-CG 3.31Å; I107-E111 PolarHBondContact O-N 2.95Å; V108-E111 PolarHBondContact O-N 3.18Å; I109-E111 VanDerWaalsContact C-N 3.31Å; I109-E111 PolarHBondContact O-N 3.28Å; E111-N115 PolarHBondContact O-ND2 3.49Å
112L95.1Very high93.3Very high40 Ų4051.5 Ų51.521%0.20926%0.261CS..Hα-helixtrans-77.6-50.7-176.2-73.4172.7000113.1V58 A61 E62 V108 I109 N115V58-L112 HydrophobicContact CG1-CD1 4.48Å; A61-L112 HydrophobicContact CB-CB 4.41Å; A61-L112 HydrophobicContact CB-CD1 4.17Å; E62-L112 HydrophobicContact CG-CD1 3.68Å; V108-L112 HydrophobicContact CG1-CD1 3.82Å; V108-L112 HydrophobicContact CG1-CG 4.28Å; V108-L112 VanDerWaalsContact O-CG 3.31Å; V108-L112 WeakPolarHBondContact O-CG 3.2Å; V108-L112 PolarHBondContact O-N 3.04Å; I109-L112 PolarHBondContact O-N 3.17Å; L112-N115 WeakPolarHBondContact O-CB 3.47Å; L112-N115 PolarHBondContact O-N 3.27Å; L112-N115 PolarHBondContact O-ND2 3.19Å; L112-N115 VanDerWaalsContact O-ND2 3.07Å
113L95.4Very high93Very high0 Ų055 Ų550%027%0.272CS..Hα-helixtrans-61.1-42.6-167.6-71.4177.3000115A61 V65 L81 I109 N115 G116 V128 A131 V132 I135A61-L113 HydrophobicContact CB-CD2 4.07Å; A61-L113 HydrophobicContact CB-CG 4.34Å; V65-L113 HydrophobicContact CG1-CD2 4.32Å; L81-L113 HydrophobicContact CD2-CD1 4.05Å; L81-L113 HydrophobicContact CD2-CD2 3.74Å; L81-L113 HydrophobicContact CD2-CG 4.39Å; I109-L113 HydrophobicContact CG2-CD1 3.59Å; I109-L113 HydrophobicContact CG2-CG 4.05Å; I109-L113 WeakPolarHBondContact O-CG 3.29Å; I109-L113 PolarHBondContact O-N 3.11Å; L113-N115 PolarHBondContact O-N 2.88Å; L113-G116 WeakPolarHBondContact O-CA 3.4Å; L113-G116 PolarHBondContact O-N 3.47Å; L113-V128 WeakPolarHBondContact O-CG1 3.47Å; L113-A131 HydrophobicContact CD1-CB 4.28Å; L113-V132 HydrophobicContact CB-CG2 3.85Å; L113-V132 HydrophobicContact CD1-CG2 4.47Å; L113-I135 HydrophobicContact CD1-CD1 3.46Å; L113-I135 VanDerWaalsContact CD1-CD1 3.46Å
114P94.8Very high92.8Very high10 Ų1050.2 Ų50.27%0.06525%0.249CC..Hα-helixtrans-56.7-26.5179.4-27.836.7000114R110 G116 L117 W144 M154R110-P114 WeakPolarHBondContact O-CD 3.37Å; R110-P114 VanDerWaalsContact O-CG 3.32Å; R110-P114 WeakPolarHBondContact O-CG 3.42Å; P114-G116 VanDerWaalsContact C-N 3.26Å; P114-G116 PolarHBondContact O-N 3.31Å; P114-L117 WeakPolarHBondContact O-CB 3.18Å; P114-L117 PolarHBondContact O-N 3.08Å; P114-W144 HydrophobicContact CG-CH2 4.25Å; P114-W144 HydrophobicContact CG-CZ2 3.7Å; P114-M154 HydrophobicContact CB-CE 4.05Å; P114-M154 WeakPolarHBondContact O-CE 3.43Å
115N92.6Very high92.8Very high103 Ų10343.6 Ų43.655%0.55123%0.225SC*.Hα-helixtrans-64.6-33175.3-58.2-58.4000112.1E111 L112 L113 L117 R118E111-N115 PolarHBondContact O-ND2 3.49Å; L112-N115 WeakPolarHBondContact O-CB 3.47Å; L112-N115 PolarHBondContact O-N 3.27Å; L112-N115 PolarHBondContact O-ND2 3.19Å; L112-N115 VanDerWaalsContact O-ND2 3.07Å; L113-N115 PolarHBondContact O-N 2.88Å; N115-L117 PolarHBondContact O-N 3.04Å; N115-R118 PolarHBondContact O-N 2.87Å
116G93Very high92.6Very high0 Ų044.1 Ų44.10%023%0.228CC..Hα-helixtrans-67.8-17.1177.800000114.1L113 P114 R118 E119L113-G116 WeakPolarHBondContact O-CA 3.4Å; L113-G116 PolarHBondContact O-N 3.47Å; P114-G116 VanDerWaalsContact C-N 3.26Å; P114-G116 PolarHBondContact O-N 3.31Å; G116-R118 PolarHBondContact O-N 3.17Å; G116-E119 WeakPolarHBondContact O-CB 3.31Å; G116-E119 WeakPolarHBondContact O-CG 3.28Å; G116-E119 PolarHBondContact O-N 3.32Å
117L94.2Very high92.3Very high1 Ų144.4 Ų44.41%0.00523%0.232CC..THydrogen-bonded Turntrans-69.2-15.4175.9-61.8177.6000112.8P114 N115 R125 V128 A129 L151 M154 N161 V169P114-L117 WeakPolarHBondContact O-CB 3.18Å; P114-L117 PolarHBondContact O-N 3.08Å; N115-L117 PolarHBondContact O-N 3.04Å; L117-R125 VanDerWaalsContact O-CD 3.23Å; L117-R125 WeakPolarHBondContact O-CD 3.33Å; L117-V128 HydrophobicContact CD2-CB 4.3Å; L117-V128 HydrophobicContact CD2-CG1 3.74Å; L117-V128 HydrophobicContact CG-CG1 4.06Å; L117-A129 HydrophobicContact CD2-CB 3.93Å; L117-L151 HydrophobicContact CD1-CD2 3.98Å; L117-M154 HydrophobicContact CB-CE 4.33Å; L117-M154 HydrophobicContact CB-SD 3.81Å; L117-M154 HydrophobicContact CD1-CE 4.07Å; L117-M154 HydrophobicContact CD1-SD 3.8Å; L117-M154 HydrophobicContact CG-SD 4.45Å; L117-N161 VanDerWaalsContact O-O 3.12Å; L117-V169 HydrophobicContact CD1-CG2 3.99Å; L117-V169 HydrophobicContact CD2-CG2 3.83Å
118R94.1Very high92.2Very high96 Ų9641 Ų4136%0.36221%0.214SC..THydrogen-bonded Turntrans-98.12177.8-54.4-172.8175-98.71.4113.7N115 G116 S157 D159 A162N115-R118 PolarHBondContact O-N 2.87Å; G116-R118 PolarHBondContact O-N 3.17Å; R118-S157 PolarHBondContact NH1-OG 3.02Å; R118-D159 IonicContact NH1-OD2 2.97Å; R118-A162 HydrophobicContact CG-CB 3.8Å
119E92.3Very high92.1Very high29 Ų2939 Ų3914%0.13620%0.202CC..  trans-58.5146-177.1-82.5-72146.600112.4R74 G116 I121 V124 R125R74-E119 IonicContact CZ-OE2 2.73Å; R74-E119 IonicContact NH1-OE2 3.91Å; R74-E119 PolarHBondContact NH1-OE2 3.08Å; R74-E119 IonicContact NH2-OE1 3.85Å; R74-E119 PolarHBondContact NH2-OE1 2.89Å; R74-E119 IonicContact NH2-OE2 3.62Å; R74-E119 PolarHBondContact NH2-OE2 2.98Å; G116-E119 WeakPolarHBondContact O-CB 3.31Å; G116-E119 WeakPolarHBondContact O-CG 3.28Å; G116-E119 PolarHBondContact O-N 3.32Å; E119-I121 VanDerWaalsContact C-N 3.27Å; E119-I121 PolarHBondContact O-N 3.04Å; E119-V124 HydrophobicContact CB-CB 4.4Å; E119-V124 HydrophobicContact CB-CG1 4.32Å; E119-V124 HydrophobicContact CG-CG1 4.1Å; E119-R125 HydrophobicContact CB-CG 3.96Å; E119-R125 WeakPolarHBondContact O-CD 3.28Å; E119-R125 WeakPolarHBondContact O-CG 3.48Å; E119-R125 PolarHBondContact O-NH1 3.49Å
120S88.5Confident91.8Very high93 Ų9343.2 Ų43.265%0.6522%0.219SC*.SBendtrans-71.2-24.7179.9590000112.8R125S120-R125 VanDerWaalsContact C-NH1 3.34Å; S120-R125 PolarHBondContact O-NH1 3.36Å; S120-R125 VanDerWaalsContact O-NH1 3.07Å
121I89.3Confident91.6Very high56 Ų5642.3 Ų42.329%0.28722%0.216SC..  trans-86.8114.4-179.9-53.7176.3000109.9L71 E119 K123 V124 R125L71-I121 HydrophobicContact CD1-CD1 4.07Å; L71-I121 HydrophobicContact CD1-CG2 3.93Å; L71-I121 HydrophobicContact CD2-CG2 4.4Å; E119-I121 VanDerWaalsContact C-N 3.27Å; E119-I121 PolarHBondContact O-N 3.04Å; I121-K123 VanDerWaalsContact C-N 3.3Å; I121-K123 HydrophobicContact CG2-CB 4.19Å; I121-K123 PolarHBondContact O-N 3.3Å; I121-V124 HydrophobicContact CB-CB 4.32Å; I121-V124 HydrophobicContact CB-CG2 3.96Å; I121-V124 HydrophobicContact CD1-CG2 4.41Å; I121-V124 HydrophobicContact CG2-CG2 4.02Å; I121-V124 PolarHBondContact O-N 3.21Å; I121-V124 VanDerWaalsContact O-N 3.08Å; I121-R125 PolarHBondContact O-N 3.48Å; I121-R125 VanDerWaalsContact O-N 3.09Å
122S87.6Confident91.6Very high61 Ų6136 Ų3643%0.42719%0.186SC..Hα-helixtrans-55.1-42.5179.756.90000113.2V124 R125 S126S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 2.97Å; S122-R125 WeakPolarHBondContact O-CB 3.4Å; S122-R125 PolarHBondContact O-N 3.14Å; S122-R125 VanDerWaalsContact O-N 3.17Å; S122-S126 PolarHBondContact O-N 3.13Å; S122-S126 PolarHBondContact O-OG 3.05Å
123K86.3Confident91.4Very high123 Ų12334.7 Ų34.754%0.53518%0.181SC..Hα-helixtrans-57.4-41.3177.4-64.4-173.2178.1-174.60112.6I121 S127I121-K123 VanDerWaalsContact C-N 3.3Å; I121-K123 HydrophobicContact CG2-CB 4.19Å; I121-K123 PolarHBondContact O-N 3.3Å; K123-S127 PolarHBondContact O-N 2.91Å; K123-S127 VanDerWaalsContact O-N 3.07Å; K123-S127 PolarHBondContact O-OG 2.87Å
124V88.7Confident91.2Very high1 Ų135.7 Ų35.71%0.00619%0.189CC..Hα-helixtrans-69.3-45.3177.3-179.20000110.1L71 E119 I121 S122 S126 S127 V128L71-V124 HydrophobicContact CD1-CG2 3.44Å; L71-V124 VanDerWaalsContact CD1-CG2 3.44Å; E119-V124 HydrophobicContact CB-CB 4.4Å; E119-V124 HydrophobicContact CB-CG1 4.32Å; E119-V124 HydrophobicContact CG-CG1 4.1Å; I121-V124 HydrophobicContact CB-CB 4.32Å; I121-V124 HydrophobicContact CB-CG2 3.96Å; I121-V124 HydrophobicContact CD1-CG2 4.41Å; I121-V124 HydrophobicContact CG2-CG2 4.02Å; I121-V124 PolarHBondContact O-N 3.21Å; I121-V124 VanDerWaalsContact O-N 3.08Å; S122-V124 VanDerWaalsContact C-N 3.3Å; S122-V124 PolarHBondContact O-N 2.97Å; V124-S126 VanDerWaalsContact C-N 3.3Å; V124-S126 PolarHBondContact O-N 3.24Å; V124-S127 PolarHBondContact O-N 2.83Å; V124-V128 HydrophobicContact CG1-CG2 4.06Å; V124-V128 WeakPolarHBondContact O-CB 3.35Å; V124-V128 VanDerWaalsContact O-CG2 3.27Å; V124-V128 WeakPolarHBondContact O-CG2 3.29Å; V124-V128 PolarHBondContact O-N 3.02Å
125R91.9Very high91.1Very high17 Ų1735.2 Ų35.26%0.06419%0.186CC..Hα-helixtrans-55.5-45.6176-67-163.2-60.7-84.27.2112.1L117 E119 S120 I121 S122 V128 A129 N161 H164L117-R125 VanDerWaalsContact O-CD 3.23Å; L117-R125 WeakPolarHBondContact O-CD 3.33Å; E119-R125 HydrophobicContact CB-CG 3.96Å; E119-R125 WeakPolarHBondContact O-CD 3.28Å; E119-R125 WeakPolarHBondContact O-CG 3.48Å; E119-R125 PolarHBondContact O-NH1 3.49Å; S120-R125 VanDerWaalsContact C-NH1 3.34Å; S120-R125 PolarHBondContact O-NH1 3.36Å; S120-R125 VanDerWaalsContact O-NH1 3.07Å; I121-R125 PolarHBondContact O-N 3.48Å; I121-R125 VanDerWaalsContact O-N 3.09Å; S122-R125 WeakPolarHBondContact O-CB 3.4Å; S122-R125 PolarHBondContact O-N 3.14Å; S122-R125 VanDerWaalsContact O-N 3.17Å; R125-V128 PolarHBondContact O-N 2.85Å; R125-A129 VanDerWaalsContact O-CB 3.31Å; R125-A129 WeakPolarHBondContact O-CB 3.46Å; R125-A129 PolarHBondContact O-N 3.09Å; R125-N161 WeakPolarHBondContact CD-O 3.23Å; R125-N161 PolarHBondContact NE-O 3.44Å; R125-N161 PolarHBondContact NH1-OD1 3.39Å; R125-H164 PolarHBondContact NE-ND1 3.41Å
126S89.3Confident91Very high13 Ų1330.7 Ų30.79%0.09116%0.163CC..Hα-helixtrans-64.3-45178.9-61.90000111.7S122 V124 A129 Y130S122-S126 PolarHBondContact O-N 3.13Å; S122-S126 PolarHBondContact O-OG 3.05Å; V124-S126 VanDerWaalsContact C-N 3.3Å; V124-S126 PolarHBondContact O-N 3.24Å; S126-A129 PolarHBondContact O-N 2.77Å; S126-Y130 WeakPolarHBondContact O-CD2 3.41Å; S126-Y130 PolarHBondContact O-N 2.78Å
127S88.8Confident90.8Very high23 Ų2335.1 Ų35.116%0.16118%0.183CC..Hα-helixtrans-63.1-42.1176.7-58.10000112.6S78 K123 V124 Y130 A131S78-S127 VanDerWaalsContact OG-C 3.26Å; S78-S127 VanDerWaalsContact OG-CB 3.29Å; S78-S127 WeakPolarHBondContact OG-CB 3.36Å; S78-S127 PolarHBondContact OG-O 2.79Å; S78-S127 VanDerWaalsContact OG-O 3.1Å; K123-S127 PolarHBondContact O-N 2.91Å; K123-S127 VanDerWaalsContact O-N 3.07Å; K123-S127 PolarHBondContact O-OG 2.87Å; V124-S127 PolarHBondContact O-N 2.83Å; S127-Y130 PolarHBondContact O-N 2.75Å; S127-A131 PolarHBondContact O-N 2.72Å; S127-A131 VanDerWaalsContact O-N 3.1Å
128V93.2Very high90.5Very high0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-63.1-43.7174.41730000110.7T64 L113 L117 V124 R125 Y130 A131 V132T64-V128 HydrophobicContact CG2-CG2 3.55Å; L113-V128 WeakPolarHBondContact O-CG1 3.47Å; L117-V128 HydrophobicContact CD2-CB 4.3Å; L117-V128 HydrophobicContact CD2-CG1 3.74Å; L117-V128 HydrophobicContact CG-CG1 4.06Å; V124-V128 HydrophobicContact CG1-CG2 4.06Å; V124-V128 WeakPolarHBondContact O-CB 3.35Å; V124-V128 VanDerWaalsContact O-CG2 3.27Å; V124-V128 WeakPolarHBondContact O-CG2 3.29Å; V124-V128 PolarHBondContact O-N 3.02Å; R125-V128 PolarHBondContact O-N 2.85Å; V128-Y130 VanDerWaalsContact C-N 3.33Å; V128-Y130 PolarHBondContact O-N 2.88Å; V128-A131 PolarHBondContact O-N 3.18Å; V128-A131 VanDerWaalsContact O-N 3.14Å; V128-V132 HydrophobicContact CG1-CG2 4.17Å; V128-V132 WeakPolarHBondContact O-CG2 3.3Å; V128-V132 PolarHBondContact O-N 3.39Å
129A92.7Very high90.4Very high1 Ų134.8 Ų34.81%0.00818%0.182CC..Hα-helixtrans-58.8-45178.200000111.6L117 R125 S126 A131 V132 S133 R168 V169L117-A129 HydrophobicContact CD2-CB 3.93Å; R125-A129 VanDerWaalsContact O-CB 3.31Å; R125-A129 WeakPolarHBondContact O-CB 3.46Å; R125-A129 PolarHBondContact O-N 3.09Å; S126-A129 PolarHBondContact O-N 2.77Å; A129-A131 PolarHBondContact O-N 2.66Å; A129-V132 PolarHBondContact O-N 2.94Å; A129-S133 PolarHBondContact O-N 3.43Å; A129-S133 PolarHBondContact O-OG 3.36Å; A129-S133 VanDerWaalsContact O-OG 3.05Å; A129-R168 HydrophobicContact CB-CB 3.4Å; A129-R168 HydrophobicContact CB-CG 4.46Å; A129-V169 HydrophobicContact CB-CG2 3.69Å
130Y89.3Confident90.2Very high88 Ų8835.1 Ų35.135%0.34518%0.183SC..Hα-helixtrans-59.8-42174.1-75.7-59.5000113.1S126 S127 V128 S133 A134 R168 D323S126-Y130 WeakPolarHBondContact O-CD2 3.41Å; S126-Y130 PolarHBondContact O-N 2.78Å; S127-Y130 PolarHBondContact O-N 2.75Å; V128-Y130 VanDerWaalsContact C-N 3.33Å; V128-Y130 PolarHBondContact O-N 2.88Å; Y130-S133 PolarHBondContact O-N 3.45Å; Y130-A134 WeakPolarHBondContact O-CB 3.38Å; Y130-A134 PolarHBondContact O-N 2.95Å; Y130-R168 PolarHBondContact OH-NH2 2.89Å; Y130-D323 PolarHBondContact OH-OD1 3.34Å
131A91.2Very high90.1Very high0 Ų032.4 Ų32.40%016%0.163CC..Hα-helixtrans-65.9-40.3176.900000112.1L81 L113 S127 V128 A129 A134 I135L81-A131 HydrophobicContact CD2-CB 4.38Å; L113-A131 HydrophobicContact CD1-CB 4.28Å; S127-A131 PolarHBondContact O-N 2.72Å; S127-A131 VanDerWaalsContact O-N 3.1Å; V128-A131 PolarHBondContact O-N 3.18Å; V128-A131 VanDerWaalsContact O-N 3.14Å; A129-A131 PolarHBondContact O-N 2.66Å; A131-A134 PolarHBondContact O-N 2.96Å; A131-I135 WeakPolarHBondContact O-CG1 3.19Å; A131-I135 PolarHBondContact O-N 3.16Å; A131-I135 VanDerWaalsContact O-N 3.14Å
132V94.3Very high90Very high0 Ų037.1 Ų37.10%018%0.183CC..Hα-helixtrans-63.1-45.8175172.10000110.6L113 V128 A129 A134 I135 A136 W144 L147 V169L113-V132 HydrophobicContact CB-CG2 3.85Å; L113-V132 HydrophobicContact CD1-CG2 4.47Å; V128-V132 HydrophobicContact CG1-CG2 4.17Å; V128-V132 WeakPolarHBondContact O-CG2 3.3Å; V128-V132 PolarHBondContact O-N 3.39Å; A129-V132 PolarHBondContact O-N 2.94Å; V132-A134 PolarHBondContact O-N 2.96Å; V132-I135 PolarHBondContact O-N 2.85Å; V132-A136 VanDerWaalsContact O-CB 3.31Å; V132-A136 WeakPolarHBondContact O-CB 3.48Å; V132-A136 PolarHBondContact O-N 3.09Å; V132-W144 HydrophobicContact CG1-CH2 4.11Å; V132-W144 HydrophobicContact CG1-CZ3 4.28Å; V132-L147 HydrophobicContact CG1-CD1 3.77Å; V132-L147 HydrophobicContact CG1-CD2 4.44Å; V132-V169 HydrophobicContact CB-CG2 4.04Å; V132-V169 HydrophobicContact CG1-CG1 3.78Å; V132-V169 HydrophobicContact CG1-CG2 3.95Å
133S92.3Very high90Very high14 Ų1436.4 Ų36.410%0.09818%0.182CC..Hα-helixtrans-61.6-42.2177.5-58.40000112.3A129 Y130 I135 A136 H137A129-S133 PolarHBondContact O-N 3.43Å; A129-S133 PolarHBondContact O-OG 3.36Å; A129-S133 VanDerWaalsContact O-OG 3.05Å; Y130-S133 PolarHBondContact O-N 3.45Å; S133-I135 VanDerWaalsContact C-N 3.32Å; S133-I135 PolarHBondContact O-N 3.38Å; S133-A136 PolarHBondContact O-N 3.22Å; S133-H137 PolarHBondContact O-N 3.4Å; S133-H137 VanDerWaalsContact O-N 3.09Å
134A90.4Very high90.3Very high21 Ų2131.1 Ų31.117%0.17416%0.158CC..Hα-helixtrans-62.7-36177.200000113K82 V85 Y130 A131 V132K82-A134 HydrophobicContact CG-CB 4.43Å; V85-A134 HydrophobicContact CG1-CB 4.14Å; Y130-A134 WeakPolarHBondContact O-CB 3.38Å; Y130-A134 PolarHBondContact O-N 2.95Å; A131-A134 PolarHBondContact O-N 2.96Å; V132-A134 PolarHBondContact O-N 2.96Å
135I93.2Very high90.4Very high0 Ų034 Ų340%018%0.177CC..Hα-helixtrans-74.7-41.2174.4-66.5166.4000110.6V85 W89 I109 R110 L113 A131 V132 S133 H137 W138 D139 W144V85-I135 HydrophobicContact CB-CG1 4.48Å; V85-I135 HydrophobicContact CG1-CG1 3.99Å; V85-I135 HydrophobicContact CG2-CD1 4.09Å; V85-I135 HydrophobicContact CG2-CG1 3.6Å; W89-I135 HydrophobicContact CH2-CD1 3.88Å; W89-I135 HydrophobicContact CH2-CG1 4.06Å; W89-I135 HydrophobicContact CH2-CG2 4.12Å; W89-I135 HydrophobicContact CZ2-CB 4.35Å; W89-I135 HydrophobicContact CZ2-CD1 4.28Å; W89-I135 HydrophobicContact CZ2-CG1 4.04Å; W89-I135 HydrophobicContact CZ2-CG2 3.44Å; W89-I135 VanDerWaalsContact CZ2-CG2 3.44Å; W89-I135 HydrophobicContact CZ3-CD1 4.23Å; W89-I135 HydrophobicContact CZ3-CG1 4.33Å; I109-I135 HydrophobicContact CG2-CD1 3.74Å; R110-I135 HydrophobicContact CG-CG2 4.21Å; L113-I135 HydrophobicContact CD1-CD1 3.46Å; L113-I135 VanDerWaalsContact CD1-CD1 3.46Å; A131-I135 WeakPolarHBondContact O-CG1 3.19Å; A131-I135 PolarHBondContact O-N 3.16Å; A131-I135 VanDerWaalsContact O-N 3.14Å; V132-I135 PolarHBondContact O-N 2.85Å; S133-I135 VanDerWaalsContact C-N 3.32Å; S133-I135 PolarHBondContact O-N 3.38Å; I135-H137 PolarHBondContact O-N 2.8Å; I135-W138 PolarHBondContact O-N 3.23Å; I135-D139 HydrophobicContact CG2-CB 4.31Å; I135-D139 PolarHBondContact O-N 2.81Å; I135-W144 HydrophobicContact CB-CZ3 4.07Å; I135-W144 HydrophobicContact CG2-CE3 3.77Å; I135-W144 HydrophobicContact CG2-CZ3 3.62Å
136A91.3Very high90.4Very high8 Ų838.3 Ų38.37%0.06620%0.198CC..Hα-helixtrans-57.5-38-179.300000112.1V132 S133 W138 D139 W140 L147V132-A136 VanDerWaalsContact O-CB 3.31Å; V132-A136 WeakPolarHBondContact O-CB 3.48Å; V132-A136 PolarHBondContact O-N 3.09Å; S133-A136 PolarHBondContact O-N 3.22Å; A136-W138 PolarHBondContact O-N 3.03Å; A136-D139 PolarHBondContact O-N 3.37Å; A136-W140 HydrophobicContact CB-CB 4.44Å; A136-W140 WeakPolarHBondContact O-CB 3.49Å; A136-W140 PolarHBondContact O-N 2.99Å; A136-L147 HydrophobicContact CB-CD2 3.46Å; A136-L147 VanDerWaalsContact CB-CD2 3.46Å
137H87.9Confident90.7Very high92 Ų9237.7 Ų37.743%0.42619%0.194SC..Hα-helixtrans-53-34.6174.8176.479.1000113.5S133 I135 E176S133-H137 PolarHBondContact O-N 3.4Å; S133-H137 VanDerWaalsContact O-N 3.09Å; I135-H137 PolarHBondContact O-N 2.8Å; H137-E176 IonicContact CE1-OE2 2.65Å; H137-E176 PolarHBondContact CE1-OE2 3.48Å; H137-E176 IonicContact CG-OE2 3.5Å; H137-E176 IonicContact ND1-OE1 2.64Å; H137-E176 IonicContact ND1-OE2 2.74Å; H137-E176 PolarHBondContact ND1-OE2 3.37Å
138W88.2Confident90.9Very high80 Ų8037.5 Ų37.530%0.30319%0.19SC..Hα-helixtrans-94.8-34-179.9-65.9105.5000114C90 Q92 I135 A136C90-W138 HydrophobicContact CB-CD2 3.73Å; C90-W138 HydrophobicContact CB-CE3 3.62Å; C90-W138 HydrophobicContact CB-CG 4.28Å; C90-W138 HydrophobicContact CB-CH2 4.37Å; C90-W138 HydrophobicContact CB-CZ2 4.47Å; C90-W138 HydrophobicContact CB-CZ3 3.95Å; C90-W138 VanDerWaalsContact SG-CE3 3.58Å; Q92-W138 HydrophobicContact CB-CZ3 4.37Å; I135-W138 PolarHBondContact O-N 3.23Å; A136-W138 PolarHBondContact O-N 3.03Å
139D90.9Very high90.9Very high10 Ų1042.3 Ų42.35%0.05322%0.215CC..Hα-helixtrans-107.5-21.8-164.2-81.425.9000113.8W89 R110 I135 A136 E142 A143 W144W89-D139 PolarHBondContact NE1-OD1 3.26Å; R110-D139 WeakPolarHBondContact CD-OD2 3.45Å; R110-D139 IonicContact CZ-OD2 2.89Å; R110-D139 IonicContact NE-OD2 2.73Å; R110-D139 IonicContact NH1-OD2 3.45Å; R110-D139 PolarHBondContact NH1-OD2 2.96Å; I135-D139 HydrophobicContact CG2-CB 4.31Å; I135-D139 PolarHBondContact O-N 2.81Å; A136-D139 PolarHBondContact O-N 3.37Å; D139-E142 PolarHBondContact O-N 3.24Å; D139-A143 HydrophobicContact CB-CB 3.95Å; D139-A143 CarbonylContact O-C 3.55Å; D139-A143 VanDerWaalsContact O-CA 3.31Å; D139-A143 WeakPolarHBondContact O-CA 3.37Å; D139-A143 WeakPolarHBondContact O-CB 3.4Å; D139-A143 PolarHBondContact O-N 3.44Å; D139-W144 HydrophobicContact CB-CB 4Å; D139-W144 PolarHBondContact O-N 2.88Å
140W89.2Confident91Very high37 Ų3745 Ų4514%0.1423%0.229CC..THydrogen-bonded Turntrans-95.5136.6-178.4-174.687.9000111A136 L147 F148 F173 V177 Q181 V185A136-W140 HydrophobicContact CB-CB 4.44Å; A136-W140 WeakPolarHBondContact O-CB 3.49Å; A136-W140 PolarHBondContact O-N 2.99Å; W140-L147 HydrophobicContact CB-CD2 4.4Å; W140-F148 HydrophobicContact CZ2-CB 4.29Å; W140-F173 AromaticContact CD2-CE2 3.51Å; W140-F173 HydrophobicContact CD2-CE2 3.51Å; W140-F173 AromaticContact CD2-CZ 3.77Å; W140-F173 HydrophobicContact CD2-CZ 3.77Å; W140-F173 AromaticContact CE2-CE2 3.79Å; W140-F173 AromaticContact CE2-CZ 3.63Å; W140-F173 AromaticContact CE3-CE2 3.66Å; W140-F173 HydrophobicContact CE3-CE2 3.66Å; W140-F173 AromaticContact CE3-CZ 3.78Å; W140-F173 HydrophobicContact CE3-CZ 3.78Å; W140-F173 AromaticContact CG-CE2 3.94Å; W140-F173 HydrophobicContact CG-CE2 3.94Å; W140-F173 HydrophobicContact CH2-CE1 4.4Å; W140-F173 HydrophobicContact CH2-CE2 4.33Å; W140-F173 AromaticContact CH2-CZ 3.6Å; W140-F173 HydrophobicContact CH2-CZ 3.6Å; W140-F173 HydrophobicContact CZ2-CE2 4.22Å; W140-F173 AromaticContact CZ2-CZ 3.59Å; W140-F173 HydrophobicContact CZ2-CZ 3.59Å; W140-F173 HydrophobicContact CZ3-CE2 4.05Å; W140-F173 AromaticContact CZ3-CZ 3.68Å; W140-F173 HydrophobicContact CZ3-CZ 3.68Å; W140-V177 HydrophobicContact CZ3-CG2 4.45Å; W140-Q181 HydrophobicContact CH2-CB 4.23Å; W140-Q181 HydrophobicContact CH2-CG 4.3Å; W140-Q181 HydrophobicContact CZ3-CB 4.44Å; W140-Q181 HydrophobicContact CZ3-CG 4.3Å; W140-V185 HydrophobicContact CH2-CG2 4.02Å; W140-V185 HydrophobicContact CZ2-CG2 4.49Å
141P85.1Confident91.3Very high36 Ų3640.9 Ų40.923%0.23421%0.213CC..THydrogen-bonded Turncis-91.6-12.23.434.3-36.5000115.4P145P141-P145 VanDerWaalsContact O-CA 3.29Å; P141-P145 WeakPolarHBondContact O-CA 3.38Å; P141-P145 VanDerWaalsContact O-CB 3.28Å; P141-P145 WeakPolarHBondContact O-CB 3.49Å; P141-P145 WeakPolarHBondContact O-CD 3.46Å
142E87.2Confident91.5Very high154 Ų15441.7 Ų41.772%0.7222%0.217SC*.THydrogen-bonded Turntrans-70.9-48.4-166.1-63.778.2-169.500113.4D139D139-E142 PolarHBondContact O-N 3.24Å
143A88.7Confident91.5Very high47 Ų4747.4 Ų47.439%0.38824%0.244SC..THydrogen-bonded Turntrans-89.5-28.5-17600000112.3R110 D139R110-A143 PolarHBondContact NH1-O 3.2Å; D139-A143 HydrophobicContact CB-CB 3.95Å; D139-A143 CarbonylContact O-C 3.55Å; D139-A143 VanDerWaalsContact O-CA 3.31Å; D139-A143 WeakPolarHBondContact O-CA 3.37Å; D139-A143 WeakPolarHBondContact O-CB 3.4Å; D139-A143 PolarHBondContact O-N 3.44Å
144W93.2Very high91.7Very high12 Ų1247 Ų475%0.04524%0.241CC..  trans-126.554.9-178.9-162.18.5000114.4R110 P114 V132 I135 D139 Q146 L147R110-W144 HydrophobicContact CB-CD2 4.12Å; R110-W144 HydrophobicContact CB-CH2 4.24Å; R110-W144 HydrophobicContact CB-CZ2 3.77Å; R110-W144 HydrophobicContact CG-CD2 3.73Å; R110-W144 HydrophobicContact CG-CE3 3.78Å; R110-W144 HydrophobicContact CG-CG 4.3Å; R110-W144 HydrophobicContact CG-CH2 4.05Å; R110-W144 HydrophobicContact CG-CZ2 4Å; R110-W144 HydrophobicContact CG-CZ3 3.95Å; R110-W144 VanDerWaalsContact O-CZ2 3.26Å; R110-W144 WeakPolarHBondContact O-CZ2 3.24Å; P114-W144 HydrophobicContact CG-CH2 4.25Å; P114-W144 HydrophobicContact CG-CZ2 3.7Å; V132-W144 HydrophobicContact CG1-CH2 4.11Å; V132-W144 HydrophobicContact CG1-CZ3 4.28Å; I135-W144 HydrophobicContact CB-CZ3 4.07Å; I135-W144 HydrophobicContact CG2-CE3 3.77Å; I135-W144 HydrophobicContact CG2-CZ3 3.62Å; D139-W144 HydrophobicContact CB-CB 4Å; D139-W144 PolarHBondContact O-N 2.88Å; W144-Q146 PolarHBondContact O-N 2.99Å; W144-L147 HydrophobicContact CD2-CB 3.95Å; W144-L147 HydrophobicContact CD2-CD1 4.49Å; W144-L147 HydrophobicContact CD2-CD2 4.3Å; W144-L147 HydrophobicContact CD2-CG 4.47Å; W144-L147 HydrophobicContact CE3-CB 4.43Å; W144-L147 HydrophobicContact CE3-CD2 3.93Å; W144-L147 HydrophobicContact CG-CB 4.05Å; W144-L147 HydrophobicContact CH2-CD1 4.03Å; W144-L147 HydrophobicContact CZ2-CD1 3.99Å; W144-L147 HydrophobicContact CZ3-CD1 4.28Å; W144-L147 HydrophobicContact CZ3-CD2 4.15Å; W144-L147 WeakPolarHBondContact O-CB 3.41Å; W144-L147 PolarHBondContact O-N 2.84Å; W144-L147 VanDerWaalsContact O-N 3.15Å
145P90.2Very high91.9Very high62 Ų6246 Ų4640%0.40323%0.233SC..THydrogen-bonded Turntrans-63.1-17.6-171.819-27.8000115.1P141 L147P141-P145 VanDerWaalsContact O-CA 3.29Å; P141-P145 WeakPolarHBondContact O-CA 3.38Å; P141-P145 VanDerWaalsContact O-CB 3.28Å; P141-P145 WeakPolarHBondContact O-CB 3.49Å; P141-P145 WeakPolarHBondContact O-CD 3.46Å; P145-L147 VanDerWaalsContact C-N 3.35Å
146Q93Very high91.8Very high106 Ų10649.9 Ų49.950%0.49526%0.256SS..THydrogen-bonded Turntrans-78.9-18.5-178.3-59.372.318.600112.8W144 F148 N149 L150W144-Q146 PolarHBondContact O-N 2.99Å; Q146-F148 PolarHBondContact O-N 3.06Å; Q146-N149 PolarHBondContact O-N 3Å; Q146-L150 HydrophobicContact CB-CD1 4.21Å; Q146-L150 WeakPolarHBondContact O-CG 3.47Å; Q146-L150 PolarHBondContact O-N 2.97Å
147L93.8Very high91.8Very high1 Ų152 Ų521%0.00527%0.27CS..Hα-helixtrans-55.8-51-173176.361.9000112.2V132 A136 W140 W144 P145 N149 L150 L151V132-L147 HydrophobicContact CG1-CD1 3.77Å; V132-L147 HydrophobicContact CG1-CD2 4.44Å; A136-L147 HydrophobicContact CB-CD2 3.46Å; A136-L147 VanDerWaalsContact CB-CD2 3.46Å; W140-L147 HydrophobicContact CB-CD2 4.4Å; W144-L147 HydrophobicContact CD2-CB 3.95Å; W144-L147 HydrophobicContact CD2-CD1 4.49Å; W144-L147 HydrophobicContact CD2-CD2 4.3Å; W144-L147 HydrophobicContact CD2-CG 4.47Å; W144-L147 HydrophobicContact CE3-CB 4.43Å; W144-L147 HydrophobicContact CE3-CD2 3.93Å; W144-L147 HydrophobicContact CG-CB 4.05Å; W144-L147 HydrophobicContact CH2-CD1 4.03Å; W144-L147 HydrophobicContact CZ2-CD1 3.99Å; W144-L147 HydrophobicContact CZ3-CD1 4.28Å; W144-L147 HydrophobicContact CZ3-CD2 4.15Å; W144-L147 WeakPolarHBondContact O-CB 3.41Å; W144-L147 PolarHBondContact O-N 2.84Å; W144-L147 VanDerWaalsContact O-N 3.15Å; P145-L147 VanDerWaalsContact C-N 3.35Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 3.5Å; L147-L150 WeakPolarHBondContact O-CB 3.44Å; L147-L150 PolarHBondContact O-N 3.22Å; L147-L150 VanDerWaalsContact O-N 3.15Å; L147-L151 HydrophobicContact CD1-CD1 4.25Å; L147-L151 HydrophobicContact CD1-CG 4.21Å; L147-L151 HydrophobicContact CG-CD1 4.18Å; L147-L151 WeakPolarHBondContact O-CG 3.43Å; L147-L151 PolarHBondContact O-N 3.25Å
148F93.2Very high91.8Very high19 Ų1950.4 Ų50.48%0.08328%0.279CS..Hα-helixtrans-59.3-44.6-178.1-176-109.1000112W140 Q146 L150 L151 M152 F173 V185 V188W140-F148 HydrophobicContact CZ2-CB 4.29Å; Q146-F148 PolarHBondContact O-N 3.06Å; F148-L150 PolarHBondContact O-N 2.95Å; F148-L151 PolarHBondContact O-N 3.26Å; F148-M152 HydrophobicContact CD1-CG 4.33Å; F148-M152 HydrophobicContact CD2-CE 4.37Å; F148-M152 HydrophobicContact CE1-CG 4Å; F148-M152 HydrophobicContact CE2-CE 3.83Å; F148-M152 HydrophobicContact CE2-CG 4.39Å; F148-M152 HydrophobicContact CE2-SD 4.3Å; F148-M152 HydrophobicContact CZ-CE 4.18Å; F148-M152 HydrophobicContact CZ-CG 4.03Å; F148-M152 HydrophobicContact CZ-SD 4.02Å; F148-M152 WeakPolarHBondContact O-CG 3.47Å; F148-M152 PolarHBondContact O-N 3.44Å; F148-F173 HydrophobicContact CB-CZ 4.43Å; F148-F173 AromaticContact CD2-CE1 3.75Å; F148-F173 HydrophobicContact CD2-CE1 3.75Å; F148-F173 AromaticContact CD2-CZ 3.76Å; F148-F173 HydrophobicContact CD2-CZ 3.76Å; F148-F173 HydrophobicContact CE2-CE1 4.12Å; F148-F173 HydrophobicContact CG-CZ 4.47Å; F148-V185 HydrophobicContact CE2-CG1 3.84Å; F148-V185 HydrophobicContact CE2-CG2 4.36Å; F148-V185 HydrophobicContact CZ-CB 4.36Å; F148-V185 HydrophobicContact CZ-CG1 4Å; F148-V185 HydrophobicContact CZ-CG2 4.39Å; F148-V188 HydrophobicContact CE1-CB 4.1Å; F148-V188 HydrophobicContact CE1-CG1 4.07Å; F148-V188 HydrophobicContact CE1-CG2 4.48Å; F148-V188 HydrophobicContact CZ-CB 4.14Å; F148-V188 HydrophobicContact CZ-CG1 4.26Å
149N93.7Very high92.1Very high100 Ų10049.1 Ų49.154%0.53528%0.278SS..Hα-helixtrans-63-40.5176.8-69.1-27.3000112.1Q146 L147 L151 M152 E153Q146-N149 PolarHBondContact O-N 3Å; L147-N149 VanDerWaalsContact C-N 3.34Å; L147-N149 PolarHBondContact O-N 3.5Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 PolarHBondContact O-N 3.4Å; N149-M152 PolarHBondContact O-N 2.94Å; N149-E153 WeakPolarHBondContact O-CG 3.23Å; N149-E153 PolarHBondContact O-N 3.34Å
150L95.2Very high92.1Very high58 Ų5853.1 Ų53.130%0.30430%0.299SS..Hα-helixtrans-60.6-42.1175.3-74160.2000111.8Q146 L147 F148 E153 M154Q146-L150 HydrophobicContact CB-CD1 4.21Å; Q146-L150 WeakPolarHBondContact O-CG 3.47Å; Q146-L150 PolarHBondContact O-N 2.97Å; L147-L150 WeakPolarHBondContact O-CB 3.44Å; L147-L150 PolarHBondContact O-N 3.22Å; L147-L150 VanDerWaalsContact O-N 3.15Å; F148-L150 PolarHBondContact O-N 2.95Å; L150-E153 PolarHBondContact O-N 3.43Å; L150-M154 WeakPolarHBondContact O-CG 3.48Å; L150-M154 PolarHBondContact O-N 3.29Å
151L95.5Very high92.2Very high1 Ų153.9 Ų53.91%0.00531%0.306CS..Hα-helixtrans-64.8-44.5177-64.4173.5000111.1L117 L147 F148 N149 E153 M154 L155 A166 V169 L170L117-L151 HydrophobicContact CD1-CD2 3.98Å; L147-L151 HydrophobicContact CD1-CD1 4.25Å; L147-L151 HydrophobicContact CD1-CG 4.21Å; L147-L151 HydrophobicContact CG-CD1 4.18Å; L147-L151 WeakPolarHBondContact O-CG 3.43Å; L147-L151 PolarHBondContact O-N 3.25Å; F148-L151 PolarHBondContact O-N 3.26Å; N149-L151 VanDerWaalsContact C-N 3.34Å; N149-L151 PolarHBondContact O-N 3.4Å; L151-E153 PolarHBondContact O-N 3.44Å; L151-M154 WeakPolarHBondContact O-CB 3.33Å; L151-M154 PolarHBondContact O-N 3.4Å; L151-M154 VanDerWaalsContact O-N 3.17Å; L151-L155 WeakPolarHBondContact O-CG 3.34Å; L151-L155 PolarHBondContact O-N 3.37Å; L151-A166 HydrophobicContact CD2-CB 4.13Å; L151-V169 HydrophobicContact CD1-CB 4.23Å; L151-V169 HydrophobicContact CD1-CG1 3.66Å; L151-V169 HydrophobicContact CD2-CB 3.86Å; L151-V169 HydrophobicContact CD2-CG1 3.99Å; L151-V169 HydrophobicContact CD2-CG2 4.17Å; L151-V169 HydrophobicContact CG-CG1 4.48Å; L151-L170 HydrophobicContact CB-CD2 4.3Å; L151-L170 HydrophobicContact CD1-CD2 3.85Å; L151-L170 HydrophobicContact CD1-CG 4.3Å
152M95Very high92.7Very high18 Ų1852.2 Ų52.29%0.08930%0.295CS..Hα-helixtrans-62.8-41.6176.8-65-56.2101.800112F148 N149 M154 L155 V156 L170 V188 I189F148-M152 HydrophobicContact CD1-CG 4.33Å; F148-M152 HydrophobicContact CD2-CE 4.37Å; F148-M152 HydrophobicContact CE1-CG 4Å; F148-M152 HydrophobicContact CE2-CE 3.83Å; F148-M152 HydrophobicContact CE2-CG 4.39Å; F148-M152 HydrophobicContact CE2-SD 4.3Å; F148-M152 HydrophobicContact CZ-CE 4.18Å; F148-M152 HydrophobicContact CZ-CG 4.03Å; F148-M152 HydrophobicContact CZ-SD 4.02Å; F148-M152 WeakPolarHBondContact O-CG 3.47Å; F148-M152 PolarHBondContact O-N 3.44Å; N149-M152 PolarHBondContact O-N 2.94Å; M152-M154 VanDerWaalsContact C-N 3.29Å; M152-M154 PolarHBondContact O-N 2.91Å; M152-L155 HydrophobicContact CE-CD1 3.67Å; M152-L155 WeakPolarHBondContact O-CB 3.41Å; M152-L155 PolarHBondContact O-N 3.49Å; M152-L155 HydrophobicContact SD-CD1 4.03Å; M152-V156 PolarHBondContact O-N 2.94Å; M152-L170 HydrophobicContact CE-CD1 3.64Å; M152-L170 HydrophobicContact CE-CD2 3.7Å; M152-L170 HydrophobicContact CE-CG 4.31Å; M152-V188 HydrophobicContact CG-CG1 3.87Å; M152-V188 HydrophobicContact SD-CG1 3.9Å; M152-I189 HydrophobicContact CE-CG1 4.35Å
153E95.5Very high93Very high120 Ų12044.9 Ų44.956%0.56126%0.261SS*.Hα-helixtrans-60.6-37173.8-76.1178.1-170.500112.4N149 L150 L151 S157N149-E153 WeakPolarHBondContact O-CG 3.23Å; N149-E153 PolarHBondContact O-N 3.34Å; L150-E153 PolarHBondContact O-N 3.43Å; L151-E153 PolarHBondContact O-N 3.44Å; E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 3.31Å; E153-S157 VanDerWaalsContact O-N 3.15Å
154M95.5Very high93.2Very high6 Ų644.3 Ų44.33%0.0325%0.25CC..Hα-helixtrans-66.5-41.8174.9-72.5-178.8-160.800112P114 L117 L150 L151 M152 V156 S157 A162 A166P114-M154 HydrophobicContact CB-CE 4.05Å; P114-M154 WeakPolarHBondContact O-CE 3.43Å; L117-M154 HydrophobicContact CB-CE 4.33Å; L117-M154 HydrophobicContact CB-SD 3.81Å; L117-M154 HydrophobicContact CD1-CE 4.07Å; L117-M154 HydrophobicContact CD1-SD 3.8Å; L117-M154 HydrophobicContact CG-SD 4.45Å; L150-M154 WeakPolarHBondContact O-CG 3.48Å; L150-M154 PolarHBondContact O-N 3.29Å; L151-M154 WeakPolarHBondContact O-CB 3.33Å; L151-M154 PolarHBondContact O-N 3.4Å; L151-M154 VanDerWaalsContact O-N 3.17Å; M152-M154 VanDerWaalsContact C-N 3.29Å; M152-M154 PolarHBondContact O-N 2.91Å; M154-V156 VanDerWaalsContact C-N 3.31Å; M154-V156 PolarHBondContact O-N 2.75Å; M154-S157 WeakPolarHBondContact O-CB 3.34Å; M154-S157 PolarHBondContact O-N 3.03Å; M154-S157 PolarHBondContact O-OG 3.21Å; M154-A162 HydrophobicContact CB-CB 4.16Å; M154-A162 HydrophobicContact CG-CB 4.32Å; M154-A166 HydrophobicContact CB-CB 3.76Å; M154-A166 HydrophobicContact SD-CB 4.4Å
155L93.5Very high93.2Very high0 Ų043.7 Ų43.70%025%0.248CC..Hα-helixtrans-58.8-40.6177-67.7-175.5000112.5L151 M152 V163 A166 M167 L170 E192 M193 I196L151-L155 WeakPolarHBondContact O-CG 3.34Å; L151-L155 PolarHBondContact O-N 3.37Å; M152-L155 HydrophobicContact CE-CD1 3.67Å; M152-L155 WeakPolarHBondContact O-CB 3.41Å; M152-L155 PolarHBondContact O-N 3.49Å; M152-L155 HydrophobicContact SD-CD1 4.03Å; L155-V163 HydrophobicContact CD2-CG1 4.22Å; L155-V163 WeakPolarHBondContact O-CG2 3.35Å; L155-A166 HydrophobicContact CD2-CB 3.92Å; L155-A166 HydrophobicContact CG-CB 4.34Å; L155-M167 HydrophobicContact CD2-CG 3.84Å; L155-M167 HydrophobicContact CD2-SD 3.73Å; L155-L170 HydrophobicContact CD1-CD1 3.63Å; L155-L170 HydrophobicContact CD2-CD1 4.12Å; L155-L170 HydrophobicContact CG-CD1 4.12Å; L155-E192 HydrophobicContact CD1-CB 4.17Å; L155-M193 HydrophobicContact CD1-CE 3.69Å; L155-I196 HydrophobicContact CD2-CD1 3.94Å
156V91.9Very high93.5Very high80 Ų8040.8 Ų40.849%0.48523%0.228SC..Hα-helixtrans-89.8-3.1-177.7-56.70000114.1M152 M154 G158 E192M152-V156 PolarHBondContact O-N 2.94Å; M154-V156 VanDerWaalsContact C-N 3.31Å; M154-V156 PolarHBondContact O-N 2.75Å; V156-G158 PolarHBondContact O-N 3.06Å; V156-E192 HydrophobicContact CG1-CG 4.46Å
157S92.4Very high93.5Very high52 Ų5235.8 Ų35.836%0.36421%0.205SC..SBendtrans-69.6-16.7-173.468.30000115R118 E153 M154 D159R118-S157 PolarHBondContact NH1-OG 3.02Å; E153-S157 WeakPolarHBondContact O-CB 3.27Å; E153-S157 PolarHBondContact O-N 3.31Å; E153-S157 VanDerWaalsContact O-N 3.15Å; M154-S157 WeakPolarHBondContact O-CB 3.34Å; M154-S157 PolarHBondContact O-N 3.03Å; M154-S157 PolarHBondContact O-OG 3.21Å; S157-D159 PolarHBondContact O-N 3.1Å; S157-D159 PolarHBondContact OG-N 3.19Å
158G87.6Confident93.5Very high60 Ų6036.1 Ų36.162%0.61921%0.206SC*.  trans76.4-2.8-174.100000114.6V156V156-G158 PolarHBondContact O-N 3.06Å
159D93Very high93.5Very high53 Ų5335.2 Ų35.228%0.28320%0.202SC..  trans-84.7109.6173.6175.64.7000110.3R118 S157 N161 A162 V163R118-D159 IonicContact NH1-OD2 2.97Å; S157-D159 PolarHBondContact O-N 3.1Å; S157-D159 PolarHBondContact OG-N 3.19Å; D159-N161 PolarHBondContact O-N 3.47Å; D159-N161 WeakPolarHBondContact OD1-CB 3.28Å; D159-N161 PolarHBondContact OD1-N 3.39Å; D159-A162 HydrophobicContact CB-CB 3.84Å; D159-A162 WeakPolarHBondContact O-CB 3.4Å; D159-A162 PolarHBondContact O-N 2.98Å; D159-A162 VanDerWaalsContact O-N 3.09Å; D159-V163 VanDerWaalsContact O-CG2 3.32Å; D159-V163 WeakPolarHBondContact O-CG2 3.49Å; D159-V163 PolarHBondContact O-N 3.45Å
160L91.6Very high93.6Very high94 Ų9430.5 Ų30.549%0.49218%0.177SC..Hα-helixtrans-58.2-30.8-178.6-63.9178.1000113.3H164 V202 Y203L160-H164 WeakPolarHBondContact O-CB 3.34Å; L160-H164 PolarHBondContact O-N 3Å; L160-V202 HydrophobicContact CD2-CG1 4.1Å; L160-V202 WeakPolarHBondContact CD2-O 3.31Å; L160-Y203 HydrophobicContact CD2-CD1 3.83Å; L160-Y203 HydrophobicContact CD2-CE1 3.92Å
161N92.5Very high93.4Very high53 Ų5327.8 Ų27.828%0.28316%0.163SC..Hα-helixtrans-70.5-46.5176.9-66.2-45.6000110.3L117 R125 D159 V163 H164 G165L117-N161 VanDerWaalsContact O-O 3.12Å; R125-N161 WeakPolarHBondContact CD-O 3.23Å; R125-N161 PolarHBondContact NE-O 3.44Å; R125-N161 PolarHBondContact NH1-OD1 3.39Å; D159-N161 PolarHBondContact O-N 3.47Å; D159-N161 WeakPolarHBondContact OD1-CB 3.28Å; D159-N161 PolarHBondContact OD1-N 3.39Å; N161-V163 PolarHBondContact O-N 2.9Å; N161-H164 PolarHBondContact O-N 3.06Å; N161-G165 PolarHBondContact O-N 3.46Å
162A94.5Very high93.1Very high0 Ų030.4 Ų30.40%018%0.175CC..Hα-helixtrans-60.6-43.7176.100000112R118 M154 D159 G165 A166R118-A162 HydrophobicContact CG-CB 3.8Å; M154-A162 HydrophobicContact CB-CB 4.16Å; M154-A162 HydrophobicContact CG-CB 4.32Å; D159-A162 HydrophobicContact CB-CB 3.84Å; D159-A162 WeakPolarHBondContact O-CB 3.4Å; D159-A162 PolarHBondContact O-N 2.98Å; D159-A162 VanDerWaalsContact O-N 3.09Å; A162-G165 PolarHBondContact O-N 3.21Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 3.45Å
163V94.7Very high92.8Very high1 Ų129.9 Ų29.91%0.00617%0.172CC..Hα-helixtrans-59.9-50.2176.3174.90000110L155 D159 N161 G165 A166 M167 I196 Y203 T207L155-V163 HydrophobicContact CD2-CG1 4.22Å; L155-V163 WeakPolarHBondContact O-CG2 3.35Å; D159-V163 VanDerWaalsContact O-CG2 3.32Å; D159-V163 WeakPolarHBondContact O-CG2 3.49Å; D159-V163 PolarHBondContact O-N 3.45Å; N161-V163 PolarHBondContact O-N 2.9Å; V163-G165 PolarHBondContact O-N 3.34Å; V163-A166 PolarHBondContact O-N 2.92Å; V163-M167 HydrophobicContact CG1-CG 4.15Å; V163-M167 WeakPolarHBondContact O-CB 3.48Å; V163-M167 WeakPolarHBondContact O-CG 3.44Å; V163-M167 PolarHBondContact O-N 3.18Å; V163-I196 HydrophobicContact CG1-CD1 4.13Å; V163-Y203 HydrophobicContact CB-CE1 4.29Å; V163-Y203 HydrophobicContact CG1-CD1 4.17Å; V163-Y203 HydrophobicContact CG1-CE1 3.76Å; V163-Y203 HydrophobicContact CG2-CE1 4.1Å; V163-T207 HydrophobicContact CG1-CG2 4.21Å
164H92.1Very high92.5Very high34 Ų3424.1 Ų24.116%0.15715%0.146CC..Hα-helixtrans-57.2-47.9176.7174.8-73000111.9R125 L160 N161 M167 R168R125-H164 PolarHBondContact NE-ND1 3.41Å; L160-H164 WeakPolarHBondContact O-CB 3.34Å; L160-H164 PolarHBondContact O-N 3Å; N161-H164 PolarHBondContact O-N 3.06Å; H164-M167 PolarHBondContact O-N 3.36Å; H164-R168 VanDerWaalsContact O-CG 3.28Å; H164-R168 WeakPolarHBondContact O-CG 3.36Å; H164-R168 PolarHBondContact O-N 3.25Å; H164-R168 VanDerWaalsContact O-N 3.11Å
165G93.4Very high92.2Very high0 Ų029.9 Ų29.90%017%0.167CC..Hα-helixtrans-59.9-46.2178.300000112.4N161 A162 V163 R168 V169N161-G165 PolarHBondContact O-N 3.46Å; A162-G165 PolarHBondContact O-N 3.21Å; V163-G165 PolarHBondContact O-N 3.34Å; G165-R168 WeakPolarHBondContact O-CB 3.33Å; G165-R168 PolarHBondContact O-N 3.37Å; G165-V169 PolarHBondContact O-N 2.89Å
166A95.6Very high91.8Very high0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-64.2-44177.800000112.3L151 M154 L155 A162 V163 R168 V169 L170L151-A166 HydrophobicContact CD2-CB 4.13Å; M154-A166 HydrophobicContact CB-CB 3.76Å; M154-A166 HydrophobicContact SD-CB 4.4Å; L155-A166 HydrophobicContact CD2-CB 3.92Å; L155-A166 HydrophobicContact CG-CB 4.34Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 3.45Å; V163-A166 PolarHBondContact O-N 2.92Å; A166-R168 VanDerWaalsContact C-N 3.26Å; A166-R168 PolarHBondContact O-N 3.23Å; A166-V169 PolarHBondContact O-N 3.37Å; A166-V169 VanDerWaalsContact O-N 3.12Å; A166-L170 VanDerWaalsContact O-CG 3.29Å; A166-L170 WeakPolarHBondContact O-CG 3.3Å; A166-L170 PolarHBondContact O-N 2.91Å
167M94.5Very high91.6Very high2 Ų231.4 Ų31.41%0.0117%0.169CC..Hα-helixtrans-59.2-36.9176.7-72.1-65.3-68.700112.5L155 V163 H164 L170 T171 M193 I196 T207 R210 A211 I214L155-M167 HydrophobicContact CD2-CG 3.84Å; L155-M167 HydrophobicContact CD2-SD 3.73Å; V163-M167 HydrophobicContact CG1-CG 4.15Å; V163-M167 WeakPolarHBondContact O-CB 3.48Å; V163-M167 WeakPolarHBondContact O-CG 3.44Å; V163-M167 PolarHBondContact O-N 3.18Å; H164-M167 PolarHBondContact O-N 3.36Å; M167-L170 PolarHBondContact O-N 2.91Å; M167-L170 HydrophobicContact SD-CD1 4.49Å; M167-T171 PolarHBondContact O-N 2.77Å; M167-T171 PolarHBondContact O-OG1 3.18Å; M167-M193 HydrophobicContact CE-CE 4.29Å; M167-M193 HydrophobicContact CE-SD 3.72Å; M167-M193 HydrophobicContact SD-CE 3.6Å; M167-M193 HydrophobicContact SD-SD 3.84Å; M167-I196 HydrophobicContact CG-CD1 4.45Å; M167-I196 HydrophobicContact SD-CD1 3.8Å; M167-T207 HydrophobicContact CG-CG2 4.27Å; M167-R210 HydrophobicContact CE-CB 4.06Å; M167-R210 HydrophobicContact CE-CG 4.17Å; M167-A211 HydrophobicContact CE-CB 3.77Å; M167-I214 HydrophobicContact CE-CD1 3.65Å; M167-I214 HydrophobicContact SD-CD1 4.16Å
168R91.8Very high91.3Very high8 Ų831.6 Ų31.63%0.0317%0.169CC..Hα-helixtrans-63.9-41.5175.2-71.3-70.7-64-166.4-3.4112.4A129 Y130 H164 G165 A166 S322 D323A129-R168 HydrophobicContact CB-CB 3.4Å; A129-R168 HydrophobicContact CB-CG 4.46Å; Y130-R168 PolarHBondContact OH-NH2 2.89Å; H164-R168 VanDerWaalsContact O-CG 3.28Å; H164-R168 WeakPolarHBondContact O-CG 3.36Å; H164-R168 PolarHBondContact O-N 3.25Å; H164-R168 VanDerWaalsContact O-N 3.11Å; G165-R168 WeakPolarHBondContact O-CB 3.33Å; G165-R168 PolarHBondContact O-N 3.37Å; A166-R168 VanDerWaalsContact C-N 3.26Å; A166-R168 PolarHBondContact O-N 3.23Å; R168-S322 PolarHBondContact NH1-OG 3.41Å; R168-D323 IonicContact CZ-OD1 2.88Å; R168-D323 VanDerWaalsContact CZ-OD1 3.32Å; R168-D323 IonicContact CZ-OD2 2.94Å; R168-D323 IonicContact NH1-OD1 3.54Å; R168-D323 PolarHBondContact NH1-OD1 2.59Å; R168-D323 IonicContact NH1-OD2 2.8Å; R168-D323 PolarHBondContact NH1-OD2 3.36Å; R168-D323 IonicContact NH2-OD1 3.39Å; R168-D323 PolarHBondContact NH2-OD1 3.07Å; R168-D323 IonicContact NH2-OD2 4Å
169V94.5Very high91.1Very high0 Ų032 Ų320%016%0.156CC..Hα-helixtrans-66.4-44.7174.3-179.30000109.8L117 A129 V132 L151 G165 A166 T171 E172 F173L117-V169 HydrophobicContact CD1-CG2 3.99Å; L117-V169 HydrophobicContact CD2-CG2 3.83Å; A129-V169 HydrophobicContact CB-CG2 3.69Å; V132-V169 HydrophobicContact CB-CG2 4.04Å; V132-V169 HydrophobicContact CG1-CG1 3.78Å; V132-V169 HydrophobicContact CG1-CG2 3.95Å; L151-V169 HydrophobicContact CD1-CB 4.23Å; L151-V169 HydrophobicContact CD1-CG1 3.66Å; L151-V169 HydrophobicContact CD2-CB 3.86Å; L151-V169 HydrophobicContact CD2-CG1 3.99Å; L151-V169 HydrophobicContact CD2-CG2 4.17Å; L151-V169 HydrophobicContact CG-CG1 4.48Å; G165-V169 PolarHBondContact O-N 2.89Å; A166-V169 PolarHBondContact O-N 3.37Å; A166-V169 VanDerWaalsContact O-N 3.12Å; V169-T171 VanDerWaalsContact C-N 3.34Å; V169-T171 PolarHBondContact O-N 3.31Å; V169-E172 PolarHBondContact O-N 3.24Å; V169-F173 HydrophobicContact CG1-CB 4.49Å; V169-F173 WeakPolarHBondContact O-CB 3.34Å; V169-F173 PolarHBondContact O-N 2.82Å
170L94.9Very high90.7Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-62.9-34.3-177.2-70169.7000113.6L151 M152 L155 A166 M167 E172 F173 T174 I189 I214L151-L170 HydrophobicContact CB-CD2 4.3Å; L151-L170 HydrophobicContact CD1-CD2 3.85Å; L151-L170 HydrophobicContact CD1-CG 4.3Å; M152-L170 HydrophobicContact CE-CD1 3.64Å; M152-L170 HydrophobicContact CE-CD2 3.7Å; M152-L170 HydrophobicContact CE-CG 4.31Å; L155-L170 HydrophobicContact CD1-CD1 3.63Å; L155-L170 HydrophobicContact CD2-CD1 4.12Å; L155-L170 HydrophobicContact CG-CD1 4.12Å; A166-L170 VanDerWaalsContact O-CG 3.29Å; A166-L170 WeakPolarHBondContact O-CG 3.3Å; A166-L170 PolarHBondContact O-N 2.91Å; M167-L170 PolarHBondContact O-N 2.91Å; M167-L170 HydrophobicContact SD-CD1 4.49Å; L170-E172 PolarHBondContact O-N 3.05Å; L170-F173 HydrophobicContact CD2-CD1 4.16Å; L170-F173 PolarHBondContact O-N 3.21Å; L170-T174 WeakPolarHBondContact O-CB 3.48Å; L170-T174 WeakPolarHBondContact O-CG2 3.42Å; L170-T174 PolarHBondContact O-N 3.23Å; L170-T174 PolarHBondContact O-OG1 3.43Å; L170-I189 HydrophobicContact CD1-CD1 4.37Å; L170-I189 HydrophobicContact CD2-CD1 3.91Å; L170-I189 HydrophobicContact CG-CD1 4.49Å; L170-I214 HydrophobicContact CB-CD1 3.77Å
171T92.2Very high90.5Very high2 Ų231 Ų311%0.01215%0.154CC..Hα-helixtrans-56.3-50.6173.8-62.40000111.9M167 V169 T174 R210 E213M167-T171 PolarHBondContact O-N 2.77Å; M167-T171 PolarHBondContact O-OG1 3.18Å; V169-T171 VanDerWaalsContact C-N 3.34Å; V169-T171 PolarHBondContact O-N 3.31Å; T171-T174 PolarHBondContact O-OG1 2.96Å; T171-R210 WeakPolarHBondContact OG1-CD 3.42Å; T171-R210 WeakPolarHBondContact OG1-CG 3.39Å; T171-R210 PolarHBondContact OG1-NH1 3.42Å; T171-R210 VanDerWaalsContact OG1-NH1 3.09Å; T171-E213 VanDerWaalsContact CG2-OE1 3.29Å; T171-E213 WeakPolarHBondContact CG2-OE1 3.41Å
172E89.4Confident90.5Very high55 Ų5528.4 Ų28.426%0.25714%0.141SC..Hα-helixtrans-75.7-41.6178.7-59.5-54150.600111.5V169 L170 T174 R175V169-E172 PolarHBondContact O-N 3.24Å; L170-E172 PolarHBondContact O-N 3.05Å; E172-T174 VanDerWaalsContact C-N 3.31Å; E172-T174 PolarHBondContact O-N 3.42Å; E172-R175 WeakPolarHBondContact O-CB 3.36Å; E172-R175 PolarHBondContact O-N 3.17Å; E172-R175 VanDerWaalsContact O-N 3.1Å; E172-R175 IonicContact OE1-NH1 2.9Å; E172-R175 PolarHBondContact OE1-NH1 3.21Å; E172-R175 VanDerWaalsContact OE1-NH1 3.16Å; E172-R175 IonicContact OE2-CZ 3.18Å; E172-R175 IonicContact OE2-NH1 3.55Å; E172-R175 PolarHBondContact OE2-NH1 3.06Å
173F88.6Confident90.3Very high7 Ų730.6 Ų30.63%0.03115%0.154CC..Hα-helixtrans-55.7-44.4179.9174.9-86.4000111.9W140 F148 V169 L170 R175 E176 V177W140-F173 AromaticContact CD2-CE2 3.51Å; W140-F173 HydrophobicContact CD2-CE2 3.51Å; W140-F173 AromaticContact CD2-CZ 3.77Å; W140-F173 HydrophobicContact CD2-CZ 3.77Å; W140-F173 AromaticContact CE2-CE2 3.79Å; W140-F173 AromaticContact CE2-CZ 3.63Å; W140-F173 AromaticContact CE3-CE2 3.66Å; W140-F173 HydrophobicContact CE3-CE2 3.66Å; W140-F173 AromaticContact CE3-CZ 3.78Å; W140-F173 HydrophobicContact CE3-CZ 3.78Å; W140-F173 AromaticContact CG-CE2 3.94Å; W140-F173 HydrophobicContact CG-CE2 3.94Å; W140-F173 HydrophobicContact CH2-CE1 4.4Å; W140-F173 HydrophobicContact CH2-CE2 4.33Å; W140-F173 AromaticContact CH2-CZ 3.6Å; W140-F173 HydrophobicContact CH2-CZ 3.6Å; W140-F173 HydrophobicContact CZ2-CE2 4.22Å; W140-F173 AromaticContact CZ2-CZ 3.59Å; W140-F173 HydrophobicContact CZ2-CZ 3.59Å; W140-F173 HydrophobicContact CZ3-CE2 4.05Å; W140-F173 AromaticContact CZ3-CZ 3.68Å; W140-F173 HydrophobicContact CZ3-CZ 3.68Å; F148-F173 HydrophobicContact CB-CZ 4.43Å; F148-F173 AromaticContact CD2-CE1 3.75Å; F148-F173 HydrophobicContact CD2-CE1 3.75Å; F148-F173 AromaticContact CD2-CZ 3.76Å; F148-F173 HydrophobicContact CD2-CZ 3.76Å; F148-F173 HydrophobicContact CE2-CE1 4.12Å; F148-F173 HydrophobicContact CG-CZ 4.47Å; V169-F173 HydrophobicContact CG1-CB 4.49Å; V169-F173 WeakPolarHBondContact O-CB 3.34Å; V169-F173 PolarHBondContact O-N 2.82Å; L170-F173 HydrophobicContact CD2-CD1 4.16Å; L170-F173 PolarHBondContact O-N 3.21Å; F173-R175 PolarHBondContact O-N 2.83Å; F173-E176 PolarHBondContact O-N 3.12Å; F173-V177 HydrophobicContact CD1-CG2 3.94Å; F173-V177 HydrophobicContact CE1-CG2 3.64Å; F173-V177 HydrophobicContact CZ-CG2 4.31Å; F173-V177 WeakPolarHBondContact O-CG2 3.28Å; F173-V177 PolarHBondContact O-N 2.84Å
174T88.9Confident90.1Very high0 Ų037.1 Ų37.10%019%0.189CC..Hα-helixtrans-67.5-20.6-178.849.70000114.3L170 T171 E172 E176 I189 I214L170-T174 WeakPolarHBondContact O-CB 3.48Å; L170-T174 WeakPolarHBondContact O-CG2 3.42Å; L170-T174 PolarHBondContact O-N 3.23Å; L170-T174 PolarHBondContact O-OG1 3.43Å; T171-T174 PolarHBondContact O-OG1 2.96Å; E172-T174 VanDerWaalsContact C-N 3.31Å; E172-T174 PolarHBondContact O-N 3.42Å; T174-E176 VanDerWaalsContact C-N 3.31Å; T174-I189 HydrophobicContact CG2-CD1 3.66Å; T174-I214 HydrophobicContact CG2-CG2 3.89Å
175R88.4Confident90.1Very high126 Ų12635.6 Ų35.648%0.47518%0.182SC..Hα-helixtrans-75.9-22.3172.9-61.7172.5-177.7165-3.8112.4E172 F173 E213 T217E172-R175 WeakPolarHBondContact O-CB 3.36Å; E172-R175 PolarHBondContact O-N 3.17Å; E172-R175 VanDerWaalsContact O-N 3.1Å; E172-R175 IonicContact OE1-NH1 2.9Å; E172-R175 PolarHBondContact OE1-NH1 3.21Å; E172-R175 VanDerWaalsContact OE1-NH1 3.16Å; E172-R175 IonicContact OE2-CZ 3.18Å; E172-R175 IonicContact OE2-NH1 3.55Å; E172-R175 PolarHBondContact OE2-NH1 3.06Å; F173-R175 PolarHBondContact O-N 2.83Å; R175-E213 IonicContact CZ-OE1 3.96Å; R175-E213 IonicContact NH2-OE1 3.86Å; R175-E213 PolarHBondContact NH2-OE1 2.89Å; R175-T217 HydrophobicContact CG-CG2 4.02Å
176E84.8Confident90.1Very high104 Ų10435.6 Ų35.649%0.48618%0.182SC..Hα-helixtrans-99.5-7.6-177.7-62-67.3154.900113.3H137 F173 T174H137-E176 IonicContact CE1-OE2 2.65Å; H137-E176 PolarHBondContact CE1-OE2 3.48Å; H137-E176 IonicContact CG-OE2 3.5Å; H137-E176 IonicContact ND1-OE1 2.64Å; H137-E176 IonicContact ND1-OE2 2.74Å; H137-E176 PolarHBondContact ND1-OE2 3.37Å; F173-E176 PolarHBondContact O-N 3.12Å; T174-E176 VanDerWaalsContact C-N 3.31Å
177V87.9Confident90Very high8 Ų839 Ų395%0.04820%0.204CC..  trans-64139.2174.8177.70000108.4W140 F173 Q181 M182 V185 M221W140-V177 HydrophobicContact CZ3-CG2 4.45Å; F173-V177 HydrophobicContact CD1-CG2 3.94Å; F173-V177 HydrophobicContact CE1-CG2 3.64Å; F173-V177 HydrophobicContact CZ-CG2 4.31Å; F173-V177 WeakPolarHBondContact O-CG2 3.28Å; F173-V177 PolarHBondContact O-N 2.84Å; V177-Q181 HydrophobicContact CG1-CB 3.74Å; V177-M182 HydrophobicContact CB-CE 4.03Å; V177-M182 HydrophobicContact CG1-CB 4.05Å; V177-M182 HydrophobicContact CG1-CE 3.78Å; V177-M182 HydrophobicContact CG1-SD 4.5Å; V177-V185 HydrophobicContact CG1-CG2 4.3Å; V177-M221 VanDerWaalsContact C-CE 3.42Å; V177-M221 HydrophobicContact CB-CE 4.41Å; V177-M221 HydrophobicContact CB-SD 4.3Å; V177-M221 HydrophobicContact CG1-CE 4.19Å; V177-M221 HydrophobicContact CG1-SD 4.41Å; V177-M221 WeakPolarHBondContact O-CE 3.48Å; V177-M221 VanDerWaalsContact O-SD 3.37Å
178T86Confident90Very high57 Ų5742.1 Ų42.135%0.3522%0.223SC..  trans-95.1159175.960.60000112.2T180 Q181 M182 M221T178-T180 PolarHBondContact O-N 3.25Å; T178-T180 VanDerWaalsContact O-N 3.16Å; T178-T180 PolarHBondContact OG1-OG1 2.81Å; T178-T180 VanDerWaalsContact OG1-OG1 3.13Å; T178-Q181 PolarHBondContact O-N 3.19Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.35Å; T178-Q181 PolarHBondContact OG1-OE1 3.37Å; T178-M182 PolarHBondContact O-N 3.32Å; T178-M221 VanDerWaalsContact CA-CE 3.47Å; T178-M221 WeakPolarHBondContact O-CE 3.45Å
179D83.4Confident90.1Very high67 Ų6741.7 Ų41.736%0.35822%0.221SC..THydrogen-bonded Turntrans-47.8-40176.556.4-14.9000112.3Q181 P183 M225D179-Q181 VanDerWaalsContact C-N 3.33Å; D179-Q181 PolarHBondContact O-N 3.44Å; D179-P183 WeakPolarHBondContact O-CD 3.46Å; D179-M225 HydrophobicContact CB-CG 3.71Å; D179-M225 HydrophobicContact CB-SD 4.41Å; D179-M225 WeakPolarHBondContact O-CE 3.47Å
180T84.3Confident90.2Very high97 Ų9741.9 Ų41.960%0.59522%0.222SC*.THydrogen-bonded Turntrans-69.6-24177.264.20000114.9T178T178-T180 PolarHBondContact O-N 3.25Å; T178-T180 VanDerWaalsContact O-N 3.16Å; T178-T180 PolarHBondContact OG1-OG1 2.81Å; T178-T180 VanDerWaalsContact OG1-OG1 3.13Å
181Q88.6Confident90.2Very high29 Ų2944.6 Ų44.614%0.13624%0.24CC..THydrogen-bonded Turntrans-96-31.5-176.1-69.6162.4-1400112.4W140 V177 T178 D179 P183 L184 V185W140-Q181 HydrophobicContact CH2-CB 4.23Å; W140-Q181 HydrophobicContact CH2-CG 4.3Å; W140-Q181 HydrophobicContact CZ3-CB 4.44Å; W140-Q181 HydrophobicContact CZ3-CG 4.3Å; V177-Q181 HydrophobicContact CG1-CB 3.74Å; T178-Q181 PolarHBondContact O-N 3.19Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.35Å; T178-Q181 PolarHBondContact OG1-OE1 3.37Å; D179-Q181 VanDerWaalsContact C-N 3.33Å; D179-Q181 PolarHBondContact O-N 3.44Å; Q181-P183 VanDerWaalsContact C-N 3.32Å; Q181-L184 WeakPolarHBondContact O-CB 3.38Å; Q181-L184 PolarHBondContact O-N 3.48Å; Q181-V185 PolarHBondContact O-N 2.92Å
182M91.7Very high90.3Very high0 Ų046.6 Ų46.60%025%0.249CC..Hα-helixtrans-54.4-36.4-177.9-173.353.873.600114.2V177 T178 L184 V185 A186 M221 I222 M225V177-M182 HydrophobicContact CB-CE 4.03Å; V177-M182 HydrophobicContact CG1-CB 4.05Å; V177-M182 HydrophobicContact CG1-CE 3.78Å; V177-M182 HydrophobicContact CG1-SD 4.5Å; T178-M182 PolarHBondContact O-N 3.32Å; M182-L184 PolarHBondContact O-N 3.47Å; M182-L184 VanDerWaalsContact O-N 3.17Å; M182-V185 PolarHBondContact O-N 3.4Å; M182-V185 VanDerWaalsContact O-N 3.09Å; M182-V185 HydrophobicContact SD-CB 4.47Å; M182-A186 HydrophobicContact CG-CB 4.33Å; M182-A186 WeakPolarHBondContact O-CB 3.07Å; M182-A186 PolarHBondContact O-N 3.06Å; M182-A186 HydrophobicContact SD-CB 3.79Å; M182-M221 HydrophobicContact CB-CE 3.99Å; M182-M221 HydrophobicContact CB-SD 4.3Å; M182-M221 HydrophobicContact CE-CB 4.28Å; M182-M221 HydrophobicContact CE-CE 4.25Å; M182-M221 HydrophobicContact CE-CG 4.17Å; M182-M221 HydrophobicContact CE-SD 3.18Å; M182-M221 WeakPolarHBondContact CE-SD 3.36Å; M182-M221 HydrophobicContact CG-SD 4.35Å; M182-I222 HydrophobicContact CG-CG1 3.89Å; M182-M225 HydrophobicContact CB-CE 4.1Å; M182-M225 HydrophobicContact CB-SD 3.54Å; M182-M225 VanDerWaalsContact CB-SD 3.54Å; M182-M225 HydrophobicContact CG-SD 3.73Å
183P91Very high90.7Very high45 Ų4544 Ų4429%0.29224%0.237SC..Hα-helixtrans-60.9-25175.3-25.434.8000114.5D179 Q181 P187 M225 L236D179-P183 WeakPolarHBondContact O-CD 3.46Å; Q181-P183 VanDerWaalsContact C-N 3.32Å; P183-P187 VanDerWaalsContact O-CD 3.22Å; P183-P187 WeakPolarHBondContact O-CD 3.29Å; P183-P187 VanDerWaalsContact O-CG 3.31Å; P183-P187 WeakPolarHBondContact O-CG 3.28Å; P183-M225 HydrophobicContact CG-CE 3.75Å; P183-L236 HydrophobicContact CB-CD1 4.32Å; P183-L236 HydrophobicContact CB-CD2 4.4Å; P183-L236 HydrophobicContact CG-CD1 4.25Å
184L89.8Confident91.1Very high138 Ų13846.6 Ų46.672%0.72325%0.247SC*.Hα-helixtrans-88.9-29.7176-60.9174000112Q181 M182Q181-L184 WeakPolarHBondContact O-CB 3.38Å; Q181-L184 PolarHBondContact O-N 3.48Å; M182-L184 PolarHBondContact O-N 3.47Å; M182-L184 VanDerWaalsContact O-N 3.17Å
185V92.7Very high91.4Very high3 Ų350.1 Ų50.12%0.01826%0.262CS..Hα-helixtrans-85.3-50.1-175171.80000111.7W140 F148 V177 Q181 M182 V188 I189W140-V185 HydrophobicContact CH2-CG2 4.02Å; W140-V185 HydrophobicContact CZ2-CG2 4.49Å; F148-V185 HydrophobicContact CE2-CG1 3.84Å; F148-V185 HydrophobicContact CE2-CG2 4.36Å; F148-V185 HydrophobicContact CZ-CB 4.36Å; F148-V185 HydrophobicContact CZ-CG1 4Å; F148-V185 HydrophobicContact CZ-CG2 4.39Å; V177-V185 HydrophobicContact CG1-CG2 4.3Å; Q181-V185 PolarHBondContact O-N 2.92Å; M182-V185 PolarHBondContact O-N 3.4Å; M182-V185 VanDerWaalsContact O-N 3.09Å; M182-V185 HydrophobicContact SD-CB 4.47Å; V185-V188 PolarHBondContact O-N 3.3Å; V185-V188 VanDerWaalsContact O-N 3.11Å; V185-I189 HydrophobicContact CG1-CB 4.48Å; V185-I189 HydrophobicContact CG1-CG2 4.12Å; V185-I189 WeakPolarHBondContact O-CG2 3.39Å; V185-I189 PolarHBondContact O-N 3.33Å
186A93.4Very high91.8Very high0 Ų044.1 Ų44.10%024%0.24CC..Hα-helixtrans-54.4-47-174.300000113.8M182 V188 I189 L190 I222 L236M182-A186 HydrophobicContact CG-CB 4.33Å; M182-A186 WeakPolarHBondContact O-CB 3.07Å; M182-A186 PolarHBondContact O-N 3.06Å; M182-A186 HydrophobicContact SD-CB 3.79Å; A186-V188 PolarHBondContact O-N 3.04Å; A186-V188 VanDerWaalsContact O-N 3.14Å; A186-I189 PolarHBondContact O-N 3.47Å; A186-L190 HydrophobicContact CB-CD1 3.96Å; A186-L190 HydrophobicContact CB-CG 4.42Å; A186-L190 WeakPolarHBondContact O-CB 3.1Å; A186-L190 WeakPolarHBondContact O-CG 3.26Å; A186-L190 PolarHBondContact O-N 3.37Å; A186-I222 HydrophobicContact CB-CD1 4.1Å; A186-L236 HydrophobicContact CB-CB 4.38Å; A186-L236 HydrophobicContact CB-CD2 4.36Å
187P93.4Very high92.4Very high71 Ų7139.3 Ų39.346%0.46122%0.217SC..Hα-helixtrans-65-21.1-178.2-22.435.5000114P183 P191 L236P183-P187 VanDerWaalsContact O-CD 3.22Å; P183-P187 WeakPolarHBondContact O-CD 3.29Å; P183-P187 VanDerWaalsContact O-CG 3.31Å; P183-P187 WeakPolarHBondContact O-CG 3.28Å; P187-P191 WeakPolarHBondContact O-CD 3.42Å; P187-P191 WeakPolarHBondContact O-CG 3.46Å; P187-L236 HydrophobicContact CG-CD2 3.91Å
188V93.9Very high92.7Very high67 Ų6741.7 Ų41.741%0.40623%0.232SC..Hα-helixtrans-93.6-43.2-180-175.10000111F148 M152 V185 A186F148-V188 HydrophobicContact CE1-CB 4.1Å; F148-V188 HydrophobicContact CE1-CG1 4.07Å; F148-V188 HydrophobicContact CE1-CG2 4.48Å; F148-V188 HydrophobicContact CZ-CB 4.14Å; F148-V188 HydrophobicContact CZ-CG1 4.26Å; M152-V188 HydrophobicContact CG-CG1 3.87Å; M152-V188 HydrophobicContact SD-CG1 3.9Å; V185-V188 PolarHBondContact O-N 3.3Å; V185-V188 VanDerWaalsContact O-N 3.11Å; A186-V188 PolarHBondContact O-N 3.04Å; A186-V188 VanDerWaalsContact O-N 3.14Å
189I94.7Very high93.1Very high0 Ų041.9 Ų41.90%023%0.229CC..Hα-helixtrans-78.1-41.7-174.5-159.7173.1000112.6M152 L170 T174 V185 A186 E192 M193 I214M152-I189 HydrophobicContact CE-CG1 4.35Å; L170-I189 HydrophobicContact CD1-CD1 4.37Å; L170-I189 HydrophobicContact CD2-CD1 3.91Å; L170-I189 HydrophobicContact CG-CD1 4.49Å; T174-I189 HydrophobicContact CG2-CD1 3.66Å; V185-I189 HydrophobicContact CG1-CB 4.48Å; V185-I189 HydrophobicContact CG1-CG2 4.12Å; V185-I189 WeakPolarHBondContact O-CG2 3.39Å; V185-I189 PolarHBondContact O-N 3.33Å; A186-I189 PolarHBondContact O-N 3.47Å; I189-E192 PolarHBondContact O-N 2.98Å; I189-M193 HydrophobicContact CG1-CE 4.02Å; I189-M193 HydrophobicContact CG1-CG 4.14Å; I189-M193 HydrophobicContact CG1-SD 4.44Å; I189-M193 WeakPolarHBondContact O-CG 3.41Å; I189-M193 PolarHBondContact O-N 3.18Å; I189-I214 HydrophobicContact CD1-CG2 3.81Å; I189-I214 HydrophobicContact CG1-CG2 4.41Å
190L95.8Very high93.5Very high3 Ų340.2 Ų40.22%0.01623%0.225CC..Hα-helixtrans-62.1-41.9-173.1-64.7174.5000113.3A186 E192 M193 Y194 F215 C218 L236 V240 F244A186-L190 HydrophobicContact CB-CD1 3.96Å; A186-L190 HydrophobicContact CB-CG 4.42Å; A186-L190 WeakPolarHBondContact O-CB 3.1Å; A186-L190 WeakPolarHBondContact O-CG 3.26Å; A186-L190 PolarHBondContact O-N 3.37Å; L190-E192 VanDerWaalsContact C-N 3.34Å; L190-E192 PolarHBondContact O-N 3.38Å; L190-M193 PolarHBondContact O-N 3.07Å; L190-Y194 PolarHBondContact O-N 3.29Å; L190-F215 HydrophobicContact CD2-CD2 3.98Å; L190-C218 HydrophobicContact CD2-CB 4.02Å; L190-L236 WeakPolarHBondContact CD1-O 3.45Å; L190-V240 HydrophobicContact CB-CG2 4.4Å; L190-V240 HydrophobicContact CD1-CG2 3.99Å; L190-F244 WeakPolarHBondContact O-CZ 3.23Å
191P95.5Very high93.8Very high57 Ų5742.9 Ų42.937%0.3723%0.231SC..Hα-helixtrans-62.2-38.6175-24.435.8000113.4P187 Y194 K195P187-P191 WeakPolarHBondContact O-CD 3.42Å; P187-P191 WeakPolarHBondContact O-CG 3.46Å; P191-Y194 PolarHBondContact O-N 3.27Å; P191-K195 PolarHBondContact O-N 3.13Å; P191-K195 VanDerWaalsContact O-N 3.11Å
192E95.3Very high93.9Very high45 Ų4544.7 Ų44.721%0.2124%0.243CC..Hα-helixtrans-71.9-36.7177.2-65.5-56.1140.600111.6L155 V156 I189 L190 Y194 K195 I196L155-E192 HydrophobicContact CD1-CB 4.17Å; V156-E192 HydrophobicContact CG1-CG 4.46Å; I189-E192 PolarHBondContact O-N 2.98Å; L190-E192 VanDerWaalsContact C-N 3.34Å; L190-E192 PolarHBondContact O-N 3.38Å; E192-Y194 VanDerWaalsContact C-N 3.34Å; E192-Y194 PolarHBondContact O-N 3.47Å; E192-K195 PolarHBondContact O-N 2.69Å; E192-K195 IonicContact OE2-NZ 3.65Å; E192-I196 WeakPolarHBondContact O-CG1 3.46Å; E192-I196 PolarHBondContact O-N 2.86Å
193M96.6Very high94Very high0 Ų045.4 Ų45.40%025%0.246CC..Hα-helixtrans-60.9-44.1172.4-66.1-49.793.100111.2L155 M167 I189 L190 K195 I196 F197 A211 I214 F244L155-M193 HydrophobicContact CD1-CE 3.69Å; M167-M193 HydrophobicContact CE-CE 4.29Å; M167-M193 HydrophobicContact CE-SD 3.72Å; M167-M193 HydrophobicContact SD-CE 3.6Å; M167-M193 HydrophobicContact SD-SD 3.84Å; I189-M193 HydrophobicContact CG1-CE 4.02Å; I189-M193 HydrophobicContact CG1-CG 4.14Å; I189-M193 HydrophobicContact CG1-SD 4.44Å; I189-M193 WeakPolarHBondContact O-CG 3.41Å; I189-M193 PolarHBondContact O-N 3.18Å; L190-M193 PolarHBondContact O-N 3.07Å; M193-K195 VanDerWaalsContact C-N 3.34Å; M193-K195 PolarHBondContact O-N 2.83Å; M193-I196 HydrophobicContact CE-CD1 4.12Å; M193-I196 PolarHBondContact O-N 3.32Å; M193-F197 WeakPolarHBondContact O-CB 3.25Å; M193-F197 PolarHBondContact O-N 3.48Å; M193-A211 HydrophobicContact CB-CB 4.31Å; M193-A211 HydrophobicContact SD-CB 4.06Å; M193-I214 HydrophobicContact CG-CB 4.34Å; M193-I214 HydrophobicContact CG-CG2 3.87Å; M193-I214 HydrophobicContact SD-CB 3.97Å; M193-I214 HydrophobicContact SD-CD1 3.79Å; M193-I214 HydrophobicContact SD-CG1 4.5Å; M193-I214 HydrophobicContact SD-CG2 3.81Å; M193-F244 HydrophobicContact CB-CZ 4.26Å
194Y97.3Very high93.9Very high61 Ų6145.5 Ų45.524%0.23926%0.255CS..Hα-helixtrans-59-45.1176.8-177.5-106.5000112.1L190 P191 E192 F197 T198 Q243 F244 A247L190-Y194 PolarHBondContact O-N 3.29Å; P191-Y194 PolarHBondContact O-N 3.27Å; E192-Y194 VanDerWaalsContact C-N 3.34Å; E192-Y194 PolarHBondContact O-N 3.47Å; Y194-F197 PolarHBondContact O-N 2.8Å; Y194-T198 HydrophobicContact CD2-CG2 4.35Å; Y194-T198 HydrophobicContact CE1-CG2 4.28Å; Y194-T198 HydrophobicContact CE2-CG2 3.9Å; Y194-T198 WeakPolarHBondContact O-CG2 3.46Å; Y194-T198 PolarHBondContact O-N 3.34Å; Y194-T198 VanDerWaalsContact O-N 3.08Å; Y194-T198 PolarHBondContact O-OG1 3.26Å; Y194-Q243 HydrophobicContact CD2-CG 4.21Å; Y194-Q243 HydrophobicContact CE2-CB 3.89Å; Y194-Q243 HydrophobicContact CE2-CG 4Å; Y194-Q243 WeakPolarHBondContact CE2-O 3.06Å; Y194-F244 VanDerWaalsContact CB-CZ 3.47Å; Y194-F244 HydrophobicContact CD2-CD1 4Å; Y194-F244 AromaticContact CD2-CD2 3.97Å; Y194-F244 HydrophobicContact CD2-CD2 3.97Å; Y194-F244 HydrophobicContact CD2-CE1 4.08Å; Y194-F244 HydrophobicContact CD2-CE2 4.05Å; Y194-F244 AromaticContact CD2-CG 3.97Å; Y194-F244 HydrophobicContact CD2-CG 3.97Å; Y194-F244 HydrophobicContact CD2-CZ 4.11Å; Y194-F244 HydrophobicContact CG-CE2 4.26Å; Y194-F244 HydrophobicContact CG-CZ 4.29Å; Y194-A247 HydrophobicContact CE2-CB 3.93Å
195K95.9Very high94.1Very high74 Ų7440.4 Ų40.432%0.32223%0.228SC..Hα-helixtrans-63-45.7177.9-178.3-176.4170.5-165.50112P191 E192 M193 T198 M199P191-K195 PolarHBondContact O-N 3.13Å; P191-K195 VanDerWaalsContact O-N 3.11Å; E192-K195 PolarHBondContact O-N 2.69Å; E192-K195 IonicContact OE2-NZ 3.65Å; M193-K195 VanDerWaalsContact C-N 3.34Å; M193-K195 PolarHBondContact O-N 2.83Å; K195-T198 PolarHBondContact O-N 3.13Å; K195-T198 PolarHBondContact O-OG1 2.75Å; K195-M199 HydrophobicContact CD-CE 4.33Å; K195-M199 HydrophobicContact CD-SD 4.49Å; K195-M199 HydrophobicContact CG-CE 3.71Å; K195-M199 HydrophobicContact CG-SD 3.7Å; K195-M199 WeakPolarHBondContact O-CB 3.46Å; K195-M199 VanDerWaalsContact O-CG 3.3Å; K195-M199 WeakPolarHBondContact O-CG 3.19Å; K195-M199 PolarHBondContact O-N 3.2Å
196I95.7Very high94Very high1 Ų143.2 Ų43.21%0.00524%0.239CC..Hα-helixtrans-63-46177.1-69.4170.7000110.3L155 V163 M167 E192 M193 T198 Y203 T207 R208 A211L155-I196 HydrophobicContact CD2-CD1 3.94Å; V163-I196 HydrophobicContact CG1-CD1 4.13Å; M167-I196 HydrophobicContact CG-CD1 4.45Å; M167-I196 HydrophobicContact SD-CD1 3.8Å; E192-I196 WeakPolarHBondContact O-CG1 3.46Å; E192-I196 PolarHBondContact O-N 2.86Å; M193-I196 HydrophobicContact CE-CD1 4.12Å; M193-I196 PolarHBondContact O-N 3.32Å; I196-T198 VanDerWaalsContact C-N 3.3Å; I196-T198 PolarHBondContact O-N 3.22Å; I196-Y203 HydrophobicContact CB-CD2 4.22Å; I196-Y203 HydrophobicContact CB-CE2 4.28Å; I196-Y203 HydrophobicContact CG1-CD2 4.29Å; I196-Y203 HydrophobicContact CG1-CE2 3.89Å; I196-Y203 HydrophobicContact CG2-CD2 4.05Å; I196-Y203 HydrophobicContact CG2-CG 4.09Å; I196-T207 HydrophobicContact CG2-CG2 3.92Å; I196-R208 WeakPolarHBondContact O-CG 2.96Å; I196-A211 HydrophobicContact CB-CB 4.22Å; I196-A211 HydrophobicContact CG2-CB 3.94Å
197F96.9Very high93.9Very high3 Ų344.3 Ų44.31%0.01325%0.245CC..Hα-helixtrans-57.5-39.6179.9171.1-127.8000113.1M193 Y194 R208 A211 V212 F244 A247 F248 A251 F264 V268M193-F197 WeakPolarHBondContact O-CB 3.25Å; M193-F197 PolarHBondContact O-N 3.48Å; Y194-F197 PolarHBondContact O-N 2.8Å; F197-R208 PolarHBondContact O-NE 2.96Å; F197-R208 PolarHBondContact O-NH2 3.23Å; F197-A211 HydrophobicContact CB-CB 4.33Å; F197-V212 HydrophobicContact CD2-CG2 3.3Å; F197-V212 HydrophobicContact CE2-CG2 3.42Å; F197-V212 VanDerWaalsContact CE2-CG2 3.42Å; F197-V212 HydrophobicContact CG-CG2 4.05Å; F197-V212 HydrophobicContact CZ-CG2 4.26Å; F197-F244 HydrophobicContact CD1-CD1 4.39Å; F197-A247 HydrophobicContact CD1-CB 3.99Å; F197-A247 HydrophobicContact CE1-CB 3.38Å; F197-A247 HydrophobicContact CZ-CB 4.31Å; F197-F248 HydrophobicContact CD1-CE1 4.38Å; F197-F248 AromaticContact CE1-CD1 3.59Å; F197-F248 HydrophobicContact CE1-CD1 3.59Å; F197-F248 AromaticContact CE1-CE1 3.73Å; F197-F248 HydrophobicContact CE1-CE1 3.73Å; F197-F248 HydrophobicContact CE2-CD1 4.34Å; F197-F248 HydrophobicContact CE2-CE1 4.46Å; F197-F248 AromaticContact CZ-CD1 3.46Å; F197-F248 HydrophobicContact CZ-CD1 3.46Å; F197-F248 VanDerWaalsContact CZ-CD1 3.46Å; F197-F248 AromaticContact CZ-CE1 3.84Å; F197-F248 HydrophobicContact CZ-CE1 3.84Å; F197-A251 HydrophobicContact CE2-CB 4.2Å; F197-A251 HydrophobicContact CZ-CB 3.88Å; F197-F264 AromaticContact CD2-CE2 3.98Å; F197-F264 HydrophobicContact CD2-CE2 3.98Å; F197-F264 AromaticContact CD2-CZ 3.95Å; F197-F264 HydrophobicContact CD2-CZ 3.95Å; F197-F264 AromaticContact CE2-CE2 3.73Å; F197-F264 HydrophobicContact CE2-CE2 3.73Å; F197-F264 AromaticContact CE2-CZ 3.42Å; F197-F264 HydrophobicContact CE2-CZ 3.42Å; F197-F264 VanDerWaalsContact CE2-CZ 3.42Å; F197-F264 HydrophobicContact CZ-CZ 4.46Å; F197-V268 HydrophobicContact CE2-CG2 3.98Å; F197-V268 HydrophobicContact CZ-CG2 4.27Å
198T95.9Very high94Very high57 Ų5741.4 Ų41.435%0.3523%0.225SC..Hα-helixtrans-87.4-25.6-17451.20000114.5Y194 K195 I196 A200 A247Y194-T198 HydrophobicContact CD2-CG2 4.35Å; Y194-T198 HydrophobicContact CE1-CG2 4.28Å; Y194-T198 HydrophobicContact CE2-CG2 3.9Å; Y194-T198 WeakPolarHBondContact O-CG2 3.46Å; Y194-T198 PolarHBondContact O-N 3.34Å; Y194-T198 VanDerWaalsContact O-N 3.08Å; Y194-T198 PolarHBondContact O-OG1 3.26Å; K195-T198 PolarHBondContact O-N 3.13Å; K195-T198 PolarHBondContact O-OG1 2.75Å; I196-T198 VanDerWaalsContact C-N 3.3Å; I196-T198 PolarHBondContact O-N 3.22Å; T198-A200 PolarHBondContact O-N 2.89Å; T198-A247 HydrophobicContact CG2-CB 3.97Å
199M93.9Very high94.1Very high61 Ų6138.7 Ų38.730%0.321%0.209SC..  trans-82.969.4-177.4-71.6179.4170.900113.1K195 E201 V202 Y203K195-M199 HydrophobicContact CD-CE 4.33Å; K195-M199 HydrophobicContact CD-SD 4.49Å; K195-M199 HydrophobicContact CG-CE 3.71Å; K195-M199 HydrophobicContact CG-SD 3.7Å; K195-M199 WeakPolarHBondContact O-CB 3.46Å; K195-M199 VanDerWaalsContact O-CG 3.3Å; K195-M199 WeakPolarHBondContact O-CG 3.19Å; K195-M199 PolarHBondContact O-N 3.2Å; M199-E201 PolarHBondContact O-N 3.14Å; M199-V202 HydrophobicContact CB-CB 4.19Å; M199-V202 HydrophobicContact CB-CG2 4.24Å; M199-V202 PolarHBondContact O-N 2.94Å; M199-V202 VanDerWaalsContact O-N 3.1Å; M199-Y203 HydrophobicContact CB-CD2 3.79Å; M199-Y203 HydrophobicContact CB-CE2 4Å; M199-Y203 PolarHBondContact O-N 3.01Å; M199-Y203 HydrophobicContact SD-CE2 4.12Å
200A91.4Very high94Very high32 Ų3240 Ų4026%0.26421%0.214SC..THydrogen-bonded Turntrans-63.5-23.2-177.800000114.5T198 T259T198-A200 PolarHBondContact O-N 2.89Å; A200-T259 HydrophobicContact CB-CG2 4.46Å
201E91.3Very high94.1Very high154 Ų15439.9 Ų39.972%0.7221%0.213SC*.THydrogen-bonded Turntrans-79.7-17.6176.268.9-72.1169.400113.7M199M199-E201 PolarHBondContact O-N 3.14Å
202V90.9Very high94.2Very high66 Ų6637.1 Ų37.140%0.420%0.196SC..THydrogen-bonded Turntrans-105-46-178.9-175.60000111L160 M199L160-V202 HydrophobicContact CD2-CG1 4.1Å; L160-V202 WeakPolarHBondContact CD2-O 3.31Å; M199-V202 HydrophobicContact CB-CB 4.19Å; M199-V202 HydrophobicContact CB-CG2 4.24Å; M199-V202 PolarHBondContact O-N 2.94Å; M199-V202 VanDerWaalsContact O-N 3.1Å
203Y92.2Very high94.2Very high16 Ų1636.9 Ų36.96%0.06320%0.195CC..SBendtrans-108.6134.2-173-56-68.4000111.6L160 V163 I196 M199 T207 R208L160-Y203 HydrophobicContact CD2-CD1 3.83Å; L160-Y203 HydrophobicContact CD2-CE1 3.92Å; V163-Y203 HydrophobicContact CB-CE1 4.29Å; V163-Y203 HydrophobicContact CG1-CD1 4.17Å; V163-Y203 HydrophobicContact CG1-CE1 3.76Å; V163-Y203 HydrophobicContact CG2-CE1 4.1Å; I196-Y203 HydrophobicContact CB-CD2 4.22Å; I196-Y203 HydrophobicContact CB-CE2 4.28Å; I196-Y203 HydrophobicContact CG1-CD2 4.29Å; I196-Y203 HydrophobicContact CG1-CE2 3.89Å; I196-Y203 HydrophobicContact CG2-CD2 4.05Å; I196-Y203 HydrophobicContact CG2-CG 4.09Å; M199-Y203 HydrophobicContact CB-CD2 3.79Å; M199-Y203 HydrophobicContact CB-CE2 4Å; M199-Y203 PolarHBondContact O-N 3.01Å; M199-Y203 HydrophobicContact SD-CE2 4.12Å; Y203-T207 HydrophobicContact CD1-CG2 4.36Å; Y203-R208 VanDerWaalsContact O-CD 3.24Å; Y203-R208 WeakPolarHBondContact O-CD 3.5Å
204G90.4Very high94.2Very high47 Ų4736.9 Ų36.949%0.48520%0.195SC..  trans-68161.4177.100000112.9R206 T207 R208G204-R206 VanDerWaalsContact C-N 3.33Å; G204-R206 PolarHBondContact O-N 3.15Å; G204-T207 PolarHBondContact O-N 2.82Å; G204-R208 PolarHBondContact O-N 3.03Å; G204-R208 VanDerWaalsContact O-N 3.14Å
205I92.9Very high94.2Very high30 Ų3034 Ų3415%0.15418%0.183CC..Hα-helixtrans-46.7-52.6-176.7-58179.6000111.7T207 R208 S209 D261 F264I205-T207 VanDerWaalsContact C-N 3.34Å; I205-T207 PolarHBondContact O-N 3.35Å; I205-R208 CarbonylContact O-C 3.53Å; I205-R208 WeakPolarHBondContact O-CA 3.31Å; I205-R208 WeakPolarHBondContact O-CB 3.47Å; I205-R208 PolarHBondContact O-N 3.04Å; I205-R208 VanDerWaalsContact O-N 3.07Å; I205-S209 PolarHBondContact O-N 3.01Å; I205-S209 PolarHBondContact O-OG 3.1Å; I205-S209 VanDerWaalsContact O-OG 3.09Å; I205-D261 WeakPolarHBondContact CG2-OD1 3.27Å; I205-F264 HydrophobicContact CG2-CB 3.64Å; I205-F264 HydrophobicContact CG2-CG 4.16Å
206R90.9Very high94.2Very high62 Ų6231.2 Ų31.223%0.23417%0.172CC..Hα-helixtrans-63-35.1-176.8-56.6-56.5-172-149.75.1114.3G204 R208 R210 D261 P319 V320G204-R206 VanDerWaalsContact C-N 3.33Å; G204-R206 PolarHBondContact O-N 3.15Å; R206-R208 VanDerWaalsContact C-N 3.32Å; R206-R210 WeakPolarHBondContact O-CB 3.31Å; R206-R210 PolarHBondContact O-N 3Å; R206-R210 VanDerWaalsContact O-N 3.09Å; R206-D261 IonicContact CZ-OD2 2.85Å; R206-D261 IonicContact NH1-OD1 3.07Å; R206-D261 IonicContact NH1-OD2 3.95Å; R206-D261 PolarHBondContact NH1-OD2 3.44Å; R206-D261 IonicContact NH2-OD2 3.52Å; R206-P319 PolarHBondContact NH2-O 2.94Å; R206-V320 VanDerWaalsContact NH2-C 3.33Å; R206-V320 PolarHBondContact NH2-O 2.75Å
207T91.8Very high94.2Very high23 Ų2332.7 Ų32.714%0.14118%0.182CC..Hα-helixtrans-69.5-36.5176.3-53.70000110.6V163 M167 I196 Y203 G204 I205 A211V163-T207 HydrophobicContact CG1-CG2 4.21Å; M167-T207 HydrophobicContact CG-CG2 4.27Å; I196-T207 HydrophobicContact CG2-CG2 3.92Å; Y203-T207 HydrophobicContact CD1-CG2 4.36Å; G204-T207 PolarHBondContact O-N 2.82Å; I205-T207 VanDerWaalsContact C-N 3.34Å; I205-T207 PolarHBondContact O-N 3.35Å; T207-A211 PolarHBondContact O-N 3.21Å
208R95.4Very high94Very high10 Ų1032.5 Ų32.54%0.03818%0.181CC..Hα-helixtrans-69.5-44.3174.7-64172.359.1-136.8-4.1111.6I196 F197 Y203 G204 I205 R206 R210 A211 V212 T259 F264I196-R208 WeakPolarHBondContact O-CG 2.96Å; F197-R208 PolarHBondContact O-NE 2.96Å; F197-R208 PolarHBondContact O-NH2 3.23Å; Y203-R208 VanDerWaalsContact O-CD 3.24Å; Y203-R208 WeakPolarHBondContact O-CD 3.5Å; G204-R208 PolarHBondContact O-N 3.03Å; G204-R208 VanDerWaalsContact O-N 3.14Å; I205-R208 CarbonylContact O-C 3.53Å; I205-R208 WeakPolarHBondContact O-CA 3.31Å; I205-R208 WeakPolarHBondContact O-CB 3.47Å; I205-R208 PolarHBondContact O-N 3.04Å; I205-R208 VanDerWaalsContact O-N 3.07Å; R206-R208 VanDerWaalsContact C-N 3.32Å; R208-R210 VanDerWaalsContact C-N 3.28Å; R208-R210 PolarHBondContact O-N 2.81Å; R208-A211 WeakPolarHBondContact O-CB 3.47Å; R208-A211 PolarHBondContact O-N 3.46Å; R208-A211 VanDerWaalsContact O-N 3.11Å; R208-V212 PolarHBondContact O-N 3.17Å; R208-T259 PolarHBondContact NH1-O 3.22Å; R208-F264 HydrophobicContact CB-CD2 4.45Å; R208-F264 HydrophobicContact CB-CE2 3.81Å; R208-F264 HydrophobicContact CB-CZ 4.45Å; R208-F264 VanDerWaalsContact NH2-CZ 3.32Å
209S95.1Very high93.9Very high10 Ų1029.9 Ų29.97%0.0717%0.165CC..Hα-helixtrans-53.7-46.7173-55.70000111.3I205 A211 V212 E213 F264I205-S209 PolarHBondContact O-N 3.01Å; I205-S209 PolarHBondContact O-OG 3.1Å; I205-S209 VanDerWaalsContact O-OG 3.09Å; S209-A211 VanDerWaalsContact C-N 3.3Å; S209-A211 PolarHBondContact O-N 3.27Å; S209-V212 WeakPolarHBondContact O-CA 3.49Å; S209-V212 WeakPolarHBondContact O-CB 3.3Å; S209-V212 PolarHBondContact O-N 3.04Å; S209-E213 PolarHBondContact O-N 3.21Å; S209-F264 WeakPolarHBondContact OG-CD2 3.34Å
210R94.2Very high93.9Very high28 Ų2830.6 Ų30.611%0.10617%0.167CC..Hα-helixtrans-64.8-31.9179.2-163.5169.7-68.4-92.5-6.1113.5M167 T171 R206 R208 V212 E213 I214 D323M167-R210 HydrophobicContact CE-CB 4.06Å; M167-R210 HydrophobicContact CE-CG 4.17Å; T171-R210 WeakPolarHBondContact OG1-CD 3.42Å; T171-R210 WeakPolarHBondContact OG1-CG 3.39Å; T171-R210 PolarHBondContact OG1-NH1 3.42Å; T171-R210 VanDerWaalsContact OG1-NH1 3.09Å; R206-R210 WeakPolarHBondContact O-CB 3.31Å; R206-R210 PolarHBondContact O-N 3Å; R206-R210 VanDerWaalsContact O-N 3.09Å; R208-R210 VanDerWaalsContact C-N 3.28Å; R208-R210 PolarHBondContact O-N 2.81Å; R210-V212 VanDerWaalsContact C-N 3.3Å; R210-E213 PolarHBondContact O-N 3.01Å; R210-I214 HydrophobicContact CG-CD1 4.36Å; R210-I214 WeakPolarHBondContact O-CB 3.45Å; R210-I214 VanDerWaalsContact O-CG1 3.27Å; R210-I214 WeakPolarHBondContact O-CG1 3.25Å; R210-I214 PolarHBondContact O-N 3.24Å; R210-D323 IonicContact NH2-OD2 2.66Å
211A96.7Very high93.8Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-66.5-35172.900000112M167 M193 I196 F197 T207 R208 S209 F215M167-A211 HydrophobicContact CE-CB 3.77Å; M193-A211 HydrophobicContact CB-CB 4.31Å; M193-A211 HydrophobicContact SD-CB 4.06Å; I196-A211 HydrophobicContact CB-CB 4.22Å; I196-A211 HydrophobicContact CG2-CB 3.94Å; F197-A211 HydrophobicContact CB-CB 4.33Å; T207-A211 PolarHBondContact O-N 3.21Å; R208-A211 WeakPolarHBondContact O-CB 3.47Å; R208-A211 PolarHBondContact O-N 3.46Å; R208-A211 VanDerWaalsContact O-N 3.11Å; S209-A211 VanDerWaalsContact C-N 3.3Å; S209-A211 PolarHBondContact O-N 3.27Å; A211-F215 PolarHBondContact O-N 2.75Å; A211-F215 VanDerWaalsContact O-N 3.12Å
212V97.6Very high93.8Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-69.5-45.6172.6-177.30000110.8F197 R208 S209 R210 I214 F215 T216 F248 F264 E267 V268 A271F197-V212 HydrophobicContact CD2-CG2 3.3Å; F197-V212 HydrophobicContact CE2-CG2 3.42Å; F197-V212 VanDerWaalsContact CE2-CG2 3.42Å; F197-V212 HydrophobicContact CG-CG2 4.05Å; F197-V212 HydrophobicContact CZ-CG2 4.26Å; R208-V212 PolarHBondContact O-N 3.17Å; S209-V212 WeakPolarHBondContact O-CA 3.49Å; S209-V212 WeakPolarHBondContact O-CB 3.3Å; S209-V212 PolarHBondContact O-N 3.04Å; R210-V212 VanDerWaalsContact C-N 3.3Å; V212-I214 VanDerWaalsContact C-N 3.35Å; V212-I214 PolarHBondContact O-N 3.45Å; V212-F215 WeakPolarHBondContact O-CB 3.46Å; V212-F215 PolarHBondContact O-N 3.5Å; V212-F215 VanDerWaalsContact O-N 3.13Å; V212-T216 PolarHBondContact O-N 3.26Å; V212-T216 PolarHBondContact O-OG1 3.47Å; V212-F248 HydrophobicContact CG1-CE1 3.94Å; V212-F248 HydrophobicContact CG1-CZ 4.41Å; V212-F248 HydrophobicContact CG2-CE1 4.19Å; V212-F264 HydrophobicContact CG2-CE2 4.4Å; V212-E267 HydrophobicContact CB-CB 4.47Å; V212-E267 HydrophobicContact CG1-CB 4.42Å; V212-E267 VanDerWaalsContact CG1-O 3.26Å; V212-E267 WeakPolarHBondContact CG1-O 3.46Å; V212-V268 HydrophobicContact CG1-CG2 4.4Å; V212-V268 HydrophobicContact CG2-CG2 4.16Å; V212-A271 HydrophobicContact CG1-CB 3.57Å
213E95.9Very high93.8Very high39 Ų3921.2 Ų21.218%0.18212%0.116CC..Hα-helixtrans-55.1-48.5175.8-172.1-165.3168.800111.5T171 R175 S209 R210 F215 T216 T217T171-E213 VanDerWaalsContact CG2-OE1 3.29Å; T171-E213 WeakPolarHBondContact CG2-OE1 3.41Å; R175-E213 IonicContact CZ-OE1 3.96Å; R175-E213 IonicContact NH2-OE1 3.86Å; R175-E213 PolarHBondContact NH2-OE1 2.89Å; S209-E213 PolarHBondContact O-N 3.21Å; R210-E213 PolarHBondContact O-N 3.01Å; E213-F215 VanDerWaalsContact C-N 3.33Å; E213-F215 PolarHBondContact O-N 2.97Å; E213-T216 WeakPolarHBondContact O-CB 3.43Å; E213-T216 PolarHBondContact O-N 3.41Å; E213-T216 VanDerWaalsContact O-N 3.11Å; E213-T217 PolarHBondContact O-N 3.28Å; E213-T217 PolarHBondContact O-OG1 3.34Å
214I96Very high93.6Very high0 Ų025.1 Ų25.10%014%0.138CC..Hα-helixtrans-61.3-41.9177.3-71165.5000111.3M167 L170 T174 I189 M193 R210 V212 T216 T217 C218M167-I214 HydrophobicContact CE-CD1 3.65Å; M167-I214 HydrophobicContact SD-CD1 4.16Å; L170-I214 HydrophobicContact CB-CD1 3.77Å; T174-I214 HydrophobicContact CG2-CG2 3.89Å; I189-I214 HydrophobicContact CD1-CG2 3.81Å; I189-I214 HydrophobicContact CG1-CG2 4.41Å; M193-I214 HydrophobicContact CG-CB 4.34Å; M193-I214 HydrophobicContact CG-CG2 3.87Å; M193-I214 HydrophobicContact SD-CB 3.97Å; M193-I214 HydrophobicContact SD-CD1 3.79Å; M193-I214 HydrophobicContact SD-CG1 4.5Å; M193-I214 HydrophobicContact SD-CG2 3.81Å; R210-I214 HydrophobicContact CG-CD1 4.36Å; R210-I214 WeakPolarHBondContact O-CB 3.45Å; R210-I214 VanDerWaalsContact O-CG1 3.27Å; R210-I214 WeakPolarHBondContact O-CG1 3.25Å; R210-I214 PolarHBondContact O-N 3.24Å; V212-I214 VanDerWaalsContact C-N 3.35Å; V212-I214 PolarHBondContact O-N 3.45Å; I214-T216 VanDerWaalsContact C-N 3.33Å; I214-T216 PolarHBondContact O-N 3.23Å; I214-T217 PolarHBondContact O-N 2.76Å; I214-C218 PolarHBondContact O-N 2.82Å; I214-C218 PolarHBondContact O-SG 2.93Å
215F97.2Very high93.5Very high1 Ų123.1 Ų23.10%0.00412%0.116CC..Hα-helixtrans-58.4-46.4173.4167.2-88.2000111L190 A211 V212 E213 T217 C218 A219 F244 F248 A271 L275L190-F215 HydrophobicContact CD2-CD2 3.98Å; A211-F215 PolarHBondContact O-N 2.75Å; A211-F215 VanDerWaalsContact O-N 3.12Å; V212-F215 WeakPolarHBondContact O-CB 3.46Å; V212-F215 PolarHBondContact O-N 3.5Å; V212-F215 VanDerWaalsContact O-N 3.13Å; E213-F215 VanDerWaalsContact C-N 3.33Å; E213-F215 PolarHBondContact O-N 2.97Å; F215-T217 PolarHBondContact O-N 2.99Å; F215-C218 PolarHBondContact O-N 3.15Å; F215-A219 HydrophobicContact CE1-CB 4.48Å; F215-A219 WeakPolarHBondContact O-CB 3.24Å; F215-A219 PolarHBondContact O-N 3.2Å; F215-F244 HydrophobicContact CB-CE1 4.16Å; F215-F244 AromaticContact CD2-CD1 3.8Å; F215-F244 HydrophobicContact CD2-CD1 3.8Å; F215-F244 AromaticContact CD2-CD2 3.89Å; F215-F244 HydrophobicContact CD2-CD2 3.89Å; F215-F244 AromaticContact CD2-CE1 3.7Å; F215-F244 HydrophobicContact CD2-CE1 3.7Å; F215-F244 AromaticContact CD2-CE2 3.79Å; F215-F244 HydrophobicContact CD2-CE2 3.79Å; F215-F244 AromaticContact CD2-CG 3.88Å; F215-F244 HydrophobicContact CD2-CG 3.88Å; F215-F244 AromaticContact CD2-CZ 3.68Å; F215-F244 HydrophobicContact CD2-CZ 3.68Å; F215-F244 HydrophobicContact CE2-CB 4.08Å; F215-F244 HydrophobicContact CE2-CD1 4.06Å; F215-F244 AromaticContact CE2-CD2 3.67Å; F215-F244 HydrophobicContact CE2-CD2 3.67Å; F215-F244 HydrophobicContact CE2-CE1 4.36Å; F215-F244 HydrophobicContact CE2-CE2 4.01Å; F215-F244 AromaticContact CE2-CG 3.68Å; F215-F244 HydrophobicContact CE2-CG 3.68Å; F215-F244 HydrophobicContact CE2-CZ 4.33Å; F215-F244 HydrophobicContact CG-CD1 4.12Å; F215-F244 HydrophobicContact CG-CE1 4.01Å; F215-F244 HydrophobicContact CG-CZ 4.37Å; F215-F244 HydrophobicContact CZ-CB 4.17Å; F215-F244 HydrophobicContact CZ-CG 4.22Å; F215-F248 HydrophobicContact CD1-CE2 4.2Å; F215-F248 AromaticContact CD1-CZ 3.68Å; F215-F248 HydrophobicContact CD1-CZ 3.68Å; F215-F248 AromaticContact CE1-CE2 3.7Å; F215-F248 HydrophobicContact CE1-CE2 3.7Å; F215-F248 AromaticContact CE1-CZ 3.67Å; F215-F248 HydrophobicContact CE1-CZ 3.67Å; F215-F248 HydrophobicContact CG-CZ 4.35Å; F215-F248 HydrophobicContact CZ-CE2 4.22Å; F215-F248 HydrophobicContact CZ-CZ 4.33Å; F215-A271 HydrophobicContact CD1-CB 4.16Å; F215-A271 HydrophobicContact CE1-CB 4.36Å; F215-L275 HydrophobicContact CE1-CD1 4.01Å; F215-L275 HydrophobicContact CE1-CD2 4.24Å; F215-L275 HydrophobicContact CE1-CG 4.2Å; F215-L275 HydrophobicContact CZ-CD1 4.03Å; F215-L275 HydrophobicContact CZ-CD2 4.03Å; F215-L275 HydrophobicContact CZ-CG 4.36Å
216T96.3Very high93Very high15 Ų1523.8 Ų23.89%0.09212%0.119CC..Hα-helixtrans-59.5-45.7178.7-56.40000111.5V212 E213 I214 A219 H220 A271 A274V212-T216 PolarHBondContact O-N 3.26Å; V212-T216 PolarHBondContact O-OG1 3.47Å; E213-T216 WeakPolarHBondContact O-CB 3.43Å; E213-T216 PolarHBondContact O-N 3.41Å; E213-T216 VanDerWaalsContact O-N 3.11Å; I214-T216 VanDerWaalsContact C-N 3.33Å; I214-T216 PolarHBondContact O-N 3.23Å; T216-A219 PolarHBondContact O-N 2.73Å; T216-H220 VanDerWaalsContact CG2-CE1 3.48Å; T216-H220 WeakPolarHBondContact CG2-CE1 3.38Å; T216-H220 PolarHBondContact O-N 3.17Å; T216-H220 VanDerWaalsContact O-N 3.07Å; T216-H220 PolarHBondContact O-ND1 3.24Å; T216-A271 VanDerWaalsContact OG1-CA 3.26Å; T216-A271 WeakPolarHBondContact OG1-CA 3.37Å; T216-A271 VanDerWaalsContact OG1-CB 3.25Å; T216-A271 WeakPolarHBondContact OG1-CB 3.38Å; T216-A274 HydrophobicContact CG2-CB 3.88Å
217T94.8Very high92.6Very high32 Ų3228 Ų2820%0.19614%0.141CC..Hα-helixtrans-60.4-46.8176.2-570000111.5R175 E213 I214 F215 A219 H220 M221R175-T217 HydrophobicContact CG-CG2 4.02Å; E213-T217 PolarHBondContact O-N 3.28Å; E213-T217 PolarHBondContact O-OG1 3.34Å; I214-T217 PolarHBondContact O-N 2.76Å; F215-T217 PolarHBondContact O-N 2.99Å; T217-A219 VanDerWaalsContact C-N 3.29Å; T217-A219 PolarHBondContact O-N 3Å; T217-H220 PolarHBondContact O-N 2.82Å; T217-M221 PolarHBondContact O-N 3Å; T217-M221 VanDerWaalsContact O-N 3.13Å
218C94.4Very high92Very high0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-61.4-39.1176.4-64.50000111.5L190 I214 F215 M221 I222L190-C218 HydrophobicContact CD2-CB 4.02Å; I214-C218 PolarHBondContact O-N 2.82Å; I214-C218 PolarHBondContact O-SG 2.93Å; F215-C218 PolarHBondContact O-N 3.15Å; C218-M221 PolarHBondContact O-N 3.37Å; C218-I222 WeakPolarHBondContact O-CB 3.4Å; C218-I222 WeakPolarHBondContact O-CD1 3.36Å; C218-I222 WeakPolarHBondContact O-CG1 3.36Å; C218-I222 PolarHBondContact O-N 3.06Å
219A93.3Very high91.4Very high1 Ų137.7 Ų37.71%0.00819%0.189CC..Hα-helixtrans-65.5-42.8-178.900000112.9F215 T216 T217 C223 I237 L275F215-A219 HydrophobicContact CE1-CB 4.48Å; F215-A219 WeakPolarHBondContact O-CB 3.24Å; F215-A219 PolarHBondContact O-N 3.2Å; T216-A219 PolarHBondContact O-N 2.73Å; T217-A219 VanDerWaalsContact C-N 3.29Å; T217-A219 PolarHBondContact O-N 3Å; A219-C223 PolarHBondContact O-N 3.21Å; A219-C223 VanDerWaalsContact O-N 3.1Å; A219-I237 HydrophobicContact CB-CD1 3.52Å; A219-L275 HydrophobicContact CB-CD2 4.37Å
220H92.4Very high90.9Very high77 Ų7746.2 Ų46.236%0.35622%0.224SC..Hα-helixtrans-61.3-47.8173.5-72.699.3000111.2T216 T217 I222 C223 N224 A274 N278T216-H220 VanDerWaalsContact CG2-CE1 3.48Å; T216-H220 WeakPolarHBondContact CG2-CE1 3.38Å; T216-H220 PolarHBondContact O-N 3.17Å; T216-H220 VanDerWaalsContact O-N 3.07Å; T216-H220 PolarHBondContact O-ND1 3.24Å; T217-H220 PolarHBondContact O-N 2.82Å; H220-I222 PolarHBondContact O-N 3.48Å; H220-C223 VanDerWaalsContact O-CB 3.31Å; H220-C223 WeakPolarHBondContact O-CB 3.26Å; H220-C223 PolarHBondContact O-N 3.26Å; H220-C223 VanDerWaalsContact O-N 3.14Å; H220-N224 PolarHBondContact O-N 3.5Å; H220-N224 PolarHBondContact O-OD1 3.07Å; H220-A274 WeakPolarHBondContact CE1-CB 3.25Å; H220-N278 PolarHBondContact CD2-ND2 3.09Å
221M90.1Very high90.6Very high32 Ų3245.8 Ų45.816%0.15823%0.229CC..Hα-helixtrans-63.9-43-178-172.4173.9177.400112.9V177 T178 M182 T217 C218 C223 N224 M225V177-M221 VanDerWaalsContact C-CE 3.42Å; V177-M221 HydrophobicContact CB-CE 4.41Å; V177-M221 HydrophobicContact CB-SD 4.3Å; V177-M221 HydrophobicContact CG1-CE 4.19Å; V177-M221 HydrophobicContact CG1-SD 4.41Å; V177-M221 WeakPolarHBondContact O-CE 3.48Å; V177-M221 VanDerWaalsContact O-SD 3.37Å; T178-M221 VanDerWaalsContact CA-CE 3.47Å; T178-M221 WeakPolarHBondContact O-CE 3.45Å; M182-M221 HydrophobicContact CB-CE 3.99Å; M182-M221 HydrophobicContact CB-SD 4.3Å; M182-M221 HydrophobicContact CE-CB 4.28Å; M182-M221 HydrophobicContact CE-CE 4.25Å; M182-M221 HydrophobicContact CE-CG 4.17Å; M182-M221 HydrophobicContact CE-SD 3.18Å; M182-M221 WeakPolarHBondContact CE-SD 3.36Å; M182-M221 HydrophobicContact CG-SD 4.35Å; T217-M221 PolarHBondContact O-N 3Å; T217-M221 VanDerWaalsContact O-N 3.13Å; C218-M221 PolarHBondContact O-N 3.37Å; M221-C223 VanDerWaalsContact C-N 3.25Å; M221-C223 PolarHBondContact O-N 3.12Å; M221-N224 PolarHBondContact O-N 3.02Å; M221-M225 HydrophobicContact CG-SD 4.35Å; M221-M225 VanDerWaalsContact O-CG 3.23Å; M221-M225 WeakPolarHBondContact O-CG 3.19Å; M221-M225 PolarHBondContact O-N 2.92Å
222I92.5Very high90.2Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-63.8-33.3175.9-67.9163.5000111.1M182 A186 C218 H220 M225 E226 A233 L236 I237M182-I222 HydrophobicContact CG-CG1 3.89Å; A186-I222 HydrophobicContact CB-CD1 4.1Å; C218-I222 WeakPolarHBondContact O-CB 3.4Å; C218-I222 WeakPolarHBondContact O-CD1 3.36Å; C218-I222 WeakPolarHBondContact O-CG1 3.36Å; C218-I222 PolarHBondContact O-N 3.06Å; H220-I222 PolarHBondContact O-N 3.48Å; I222-M225 PolarHBondContact O-N 2.72Å; I222-E226 PolarHBondContact O-N 3.44Å; I222-E226 VanDerWaalsContact O-N 3.15Å; I222-A233 HydrophobicContact CG2-CB 4.22Å; I222-L236 HydrophobicContact CD1-CB 3.82Å; I222-L236 HydrophobicContact CG1-CB 4.26Å; I222-L236 HydrophobicContact CG1-CD1 4.24Å; I222-L236 HydrophobicContact CG2-CB 4.23Å; I222-I237 HydrophobicContact CD1-CB 4.21Å; I222-I237 HydrophobicContact CG2-CB 4.23Å; I222-I237 HydrophobicContact CG2-CG2 4.11Å
223C90Very high89.9Confident22 Ų2246.3 Ų46.315%0.14923%0.234CC..Hα-helixtrans-63.5-50173.1-171.10000111.2A219 H220 M221 M225 E226 N278 F279A219-C223 PolarHBondContact O-N 3.21Å; A219-C223 VanDerWaalsContact O-N 3.1Å; H220-C223 VanDerWaalsContact O-CB 3.31Å; H220-C223 WeakPolarHBondContact O-CB 3.26Å; H220-C223 PolarHBondContact O-N 3.26Å; H220-C223 VanDerWaalsContact O-N 3.14Å; M221-C223 VanDerWaalsContact C-N 3.25Å; M221-C223 PolarHBondContact O-N 3.12Å; C223-M225 PolarHBondContact O-N 2.95Å; C223-E226 WeakPolarHBondContact O-CB 3.32Å; C223-E226 PolarHBondContact O-N 3.47Å; C223-N278 HydrophobicContact CB-CB 3.76Å; C223-N278 WeakPolarHBondContact SG-CB 3.26Å; C223-F279 HydrophobicContact CB-CE1 4.4Å; C223-F279 HydrophobicContact CB-CE2 4.39Å; C223-F279 HydrophobicContact CB-CZ 3.82Å
224N88.3Confident89.6Confident99 Ų9950.2 Ų50.253%0.52925%0.25SC..Hα-helixtrans-61.2-32.8178.3-61.7-0.7000111.7H220 M221H220-N224 PolarHBondContact O-N 3.5Å; H220-N224 PolarHBondContact O-OD1 3.07Å; M221-N224 PolarHBondContact O-N 3.02Å
225M87.3Confident89.4Confident4 Ų455.2 Ų55.22%0.0228%0.28CS..Hα-helixtrans-68.8-32.9174.9-70.4167.46000113.6D179 M182 P183 M221 I222 C223 E227 L228 E229 A232 L236D179-M225 HydrophobicContact CB-CG 3.71Å; D179-M225 HydrophobicContact CB-SD 4.41Å; D179-M225 WeakPolarHBondContact O-CE 3.47Å; M182-M225 HydrophobicContact CB-CE 4.1Å; M182-M225 HydrophobicContact CB-SD 3.54Å; M182-M225 VanDerWaalsContact CB-SD 3.54Å; M182-M225 HydrophobicContact CG-SD 3.73Å; P183-M225 HydrophobicContact CG-CE 3.75Å; M221-M225 HydrophobicContact CG-SD 4.35Å; M221-M225 VanDerWaalsContact O-CG 3.23Å; M221-M225 WeakPolarHBondContact O-CG 3.19Å; M221-M225 PolarHBondContact O-N 2.92Å; I222-M225 PolarHBondContact O-N 2.72Å; C223-M225 PolarHBondContact O-N 2.95Å; M225-E227 PolarHBondContact O-N 3.23Å; M225-L228 PolarHBondContact O-N 2.84Å; M225-E229 PolarHBondContact O-N 3.03Å; M225-A232 HydrophobicContact CB-CB 4.44Å; M225-L236 HydrophobicContact CE-CD1 4.08Å
226E83.9Confident89.2Confident45 Ų4555.8 Ų55.821%0.2128%0.283CS..Hα-helixtrans-60.5-26.6-178.9-175.668.8-164.200111.8I222 C223 L228 G231 A232 A233I222-E226 PolarHBondContact O-N 3.44Å; I222-E226 VanDerWaalsContact O-N 3.15Å; C223-E226 WeakPolarHBondContact O-CB 3.32Å; C223-E226 PolarHBondContact O-N 3.47Å; E226-L228 VanDerWaalsContact C-N 3.34Å; E226-G231 VanDerWaalsContact CD-N 3.3Å; E226-G231 PolarHBondContact OE1-N 3.15Å; E226-G231 PolarHBondContact OE2-N 3.31Å; E226-A232 PolarHBondContact OE2-N 2.9Å; E226-A233 HydrophobicContact CG-CB 4.4Å; E226-A233 WeakPolarHBondContact OE2-CB 3.4Å; E226-A233 PolarHBondContact OE2-N 3.42Å
227E80.5Confident89Confident151 Ų15155.1 Ų55.171%0.70628%0.279SS*.THydrogen-bonded Turntrans-65.3-35.6175.4-61.1-175.9170.700112.5M225M225-E227 PolarHBondContact O-N 3.23Å
228L80.8Confident88.9Confident135 Ų13555.7 Ų55.771%0.70728%0.279SS*.THydrogen-bonded Turntrans-95.7-39.3-179.3-63.7172.1000112.4M225 E226M225-L228 PolarHBondContact O-N 2.84Å; E226-L228 VanDerWaalsContact C-N 3.34Å
229E83.3Confident88.8Confident101 Ų10160 Ų6047%0.47231%0.307SS..SBendtrans-119.885.4-177.1-66.3-168.9170.400110.6M225 G231 A232M225-E229 PolarHBondContact O-N 3.03Å; E229-G231 PolarHBondContact O-N 3.33Å; E229-A232 HydrophobicContact CB-CB 4.36Å; E229-A232 VanDerWaalsContact O-CB 3.3Å; E229-A232 WeakPolarHBondContact O-CB 3.2Å; E229-A232 PolarHBondContact O-N 2.89Å; E229-A232 VanDerWaalsContact O-N 3.08Å
230K84.4Confident88.8Confident188 Ų18860.8 Ų60.882%0.81731%0.312SS*.THydrogen-bonded Turntrans-52.3127.2178.4-66.9-173.9179.4178.90111.6
231G86.9Confident88.8Confident20 Ų2057.6 Ų57.621%0.20630%0.297CS..THydrogen-bonded Turntrans92.2-2.3-179.700000115.4E226 E229 A233 K234 V235E226-G231 VanDerWaalsContact CD-N 3.3Å; E226-G231 PolarHBondContact OE1-N 3.15Å; E226-G231 PolarHBondContact OE2-N 3.31Å; E229-G231 PolarHBondContact O-N 3.33Å; G231-A233 VanDerWaalsContact C-N 3.29Å; G231-A233 PolarHBondContact O-N 3.23Å; G231-K234 WeakPolarHBondContact O-CB 3.5Å; G231-K234 PolarHBondContact O-N 3.46Å; G231-K234 VanDerWaalsContact O-N 3.12Å; G231-V235 PolarHBondContact O-N 2.88Å
232A89.5Confident88.9Confident10 Ų1060.1 Ų60.18%0.08331%0.309CS..Hα-helixtrans-54-44.4173.500000112M225 E226 E229 K234 V235 L236M225-A232 HydrophobicContact CB-CB 4.44Å; E226-A232 PolarHBondContact OE2-N 2.9Å; E229-A232 HydrophobicContact CB-CB 4.36Å; E229-A232 VanDerWaalsContact O-CB 3.3Å; E229-A232 WeakPolarHBondContact O-CB 3.2Å; E229-A232 PolarHBondContact O-N 2.89Å; E229-A232 VanDerWaalsContact O-N 3.08Å; A232-K234 VanDerWaalsContact C-N 3.35Å; A232-K234 PolarHBondContact O-N 3.37Å; A232-V235 PolarHBondContact O-N 3.47Å; A232-L236 WeakPolarHBondContact O-CB 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.3Å; A232-L236 PolarHBondContact O-N 3.01Å
233A89.8Confident89Confident1 Ų163.2 Ų63.21%0.00832%0.323CS..Hα-helixtrans-62.6-39.917700000112.3I222 E226 G231 V235 I237 F238 F279I222-A233 HydrophobicContact CG2-CB 4.22Å; E226-A233 HydrophobicContact CG-CB 4.4Å; E226-A233 WeakPolarHBondContact OE2-CB 3.4Å; E226-A233 PolarHBondContact OE2-N 3.42Å; G231-A233 VanDerWaalsContact C-N 3.29Å; G231-A233 PolarHBondContact O-N 3.23Å; A233-V235 PolarHBondContact O-N 2.95Å; A233-I237 HydrophobicContact CB-CG2 4.03Å; A233-I237 WeakPolarHBondContact O-CG2 3.3Å; A233-I237 PolarHBondContact O-N 3.49Å; A233-I237 VanDerWaalsContact O-N 3.08Å; A233-F238 HydrophobicContact CB-CE1 4.04Å; A233-F238 HydrophobicContact CB-CE2 4.22Å; A233-F238 HydrophobicContact CB-CZ 3.76Å; A233-F238 WeakPolarHBondContact O-CG 3.48Å; A233-F238 PolarHBondContact O-N 3.06Å; A233-F279 HydrophobicContact CB-CE1 3.71Å; A233-F279 HydrophobicContact CB-CZ 4.27Å
234K90.4Very high89.3Confident120 Ų12062.1 Ų62.152%0.52232%0.316SS..Hα-helixtrans-60.2-33.8176.7-68.4-179.3179.1176.30112.3G231 A232 F238 P239G231-K234 WeakPolarHBondContact O-CB 3.5Å; G231-K234 PolarHBondContact O-N 3.46Å; G231-K234 VanDerWaalsContact O-N 3.12Å; A232-K234 VanDerWaalsContact C-N 3.35Å; A232-K234 PolarHBondContact O-N 3.37Å; K234-F238 VanDerWaalsContact CA-CD2 3.48Å; K234-F238 HydrophobicContact CB-CD2 4.16Å; K234-F238 HydrophobicContact CB-CE2 4.48Å; K234-F238 HydrophobicContact CG-CD2 3.8Å; K234-F238 HydrophobicContact CG-CE2 3.75Å; K234-P239 WeakPolarHBondContact O-CD 3.33Å
235V91.4Very high89.6Confident106 Ų10657.5 Ų57.564%0.64229%0.292SS*.Hα-helixtrans-88.2-41.8-178.5178.30000112G231 A232 A233 P239G231-V235 PolarHBondContact O-N 2.88Å; A232-V235 PolarHBondContact O-N 3.47Å; A233-V235 PolarHBondContact O-N 2.95Å; V235-P239 WeakPolarHBondContact O-CG 3.31Å
236L92.9Very high90Very high12 Ų1262 Ų626%0.06331%0.313CS..Hα-helixtrans-96.7-37.5-165.5-59.8177.4000113.9P183 A186 P187 L190 I222 M225 A232P183-L236 HydrophobicContact CB-CD1 4.32Å; P183-L236 HydrophobicContact CB-CD2 4.4Å; P183-L236 HydrophobicContact CG-CD1 4.25Å; A186-L236 HydrophobicContact CB-CB 4.38Å; A186-L236 HydrophobicContact CB-CD2 4.36Å; P187-L236 HydrophobicContact CG-CD2 3.91Å; L190-L236 WeakPolarHBondContact CD1-O 3.45Å; I222-L236 HydrophobicContact CD1-CB 3.82Å; I222-L236 HydrophobicContact CG1-CB 4.26Å; I222-L236 HydrophobicContact CG1-CD1 4.24Å; I222-L236 HydrophobicContact CG2-CB 4.23Å; M225-L236 HydrophobicContact CE-CD1 4.08Å; A232-L236 WeakPolarHBondContact O-CB 3.31Å; A232-L236 WeakPolarHBondContact O-CG 3.3Å; A232-L236 PolarHBondContact O-N 3.01Å
237I92.9Very high90.6Very high2 Ų260.3 Ų60.31%0.0131%0.306CS..THydrogen-bonded Turntrans-113.6-40.8-172.6-158.1175.1000114A219 I222 A233 P239 V240 V241 L275 F279A219-I237 HydrophobicContact CB-CD1 3.52Å; I222-I237 HydrophobicContact CD1-CB 4.21Å; I222-I237 HydrophobicContact CG2-CB 4.23Å; I222-I237 HydrophobicContact CG2-CG2 4.11Å; A233-I237 HydrophobicContact CB-CG2 4.03Å; A233-I237 WeakPolarHBondContact O-CG2 3.3Å; A233-I237 PolarHBondContact O-N 3.49Å; A233-I237 VanDerWaalsContact O-N 3.08Å; I237-P239 VanDerWaalsContact C-N 3.33Å; I237-V240 VanDerWaalsContact O-CG2 3.25Å; I237-V240 WeakPolarHBondContact O-CG2 3.45Å; I237-V240 PolarHBondContact O-N 3.48Å; I237-V241 PolarHBondContact O-N 3.03Å; I237-L275 HydrophobicContact CD1-CD2 4.08Å; I237-F279 HydrophobicContact CD1-CD2 4.28Å; I237-F279 HydrophobicContact CD1-CE2 3.63Å; I237-F279 HydrophobicContact CD1-CZ 4.31Å; I237-F279 HydrophobicContact CG2-CE1 4.34Å; I237-F279 HydrophobicContact CG2-CE2 4.07Å; I237-F279 HydrophobicContact CG2-CZ 3.9Å
238F92.2Very high91.4Very high43 Ų4353.1 Ų53.119%0.18927%0.272CS..Hα-helixtrans-59.9-31.8-178.3-62.7-13000115A233 K234 V240 F279 H282A233-F238 HydrophobicContact CB-CE1 4.04Å; A233-F238 HydrophobicContact CB-CE2 4.22Å; A233-F238 HydrophobicContact CB-CZ 3.76Å; A233-F238 WeakPolarHBondContact O-CG 3.48Å; A233-F238 PolarHBondContact O-N 3.06Å; K234-F238 VanDerWaalsContact CA-CD2 3.48Å; K234-F238 HydrophobicContact CB-CD2 4.16Å; K234-F238 HydrophobicContact CB-CE2 4.48Å; K234-F238 HydrophobicContact CG-CD2 3.8Å; K234-F238 HydrophobicContact CG-CE2 3.75Å; F238-V240 PolarHBondContact O-N 2.94Å; F238-F279 HydrophobicContact CE1-CB 4.37Å; F238-F279 AromaticContact CE1-CD1 3.59Å; F238-F279 HydrophobicContact CE1-CD1 3.59Å; F238-F279 HydrophobicContact CE1-CE1 4.04Å; F238-F279 AromaticContact CE1-CG 3.98Å; F238-F279 HydrophobicContact CE1-CG 3.98Å; F238-F279 AromaticContact CZ-CD1 3.94Å; F238-F279 HydrophobicContact CZ-CD1 3.94Å; F238-F279 HydrophobicContact CZ-CE1 4.35Å; F238-H282 AromaticContact CD1-CD2 3.97Å; F238-H282 AromaticContact CD2-CE1 3.79Å; F238-H282 AromaticContact CD2-NE2 3.64Å; F238-H282 AromaticContact CE1-CD2 3.4Å; F238-H282 VanDerWaalsContact CE1-CD2 3.4Å; F238-H282 WeakPolarHBondContact CE1-CD2 3.43Å; F238-H282 AromaticContact CE1-NE2 3.62Å; F238-H282 AromaticContact CE2-CD2 3.89Å; F238-H282 AromaticContact CE2-CE1 3.8Å; F238-H282 AromaticContact CE2-NE2 3.17Å; F238-H282 WeakPolarHBondContact CE2-NE2 2.89Å; F238-H282 AromaticContact CZ-CD2 3.37Å; F238-H282 WeakPolarHBondContact CZ-CD2 3.33Å; F238-H282 AromaticContact CZ-NE2 3.17Å; F238-H282 WeakPolarHBondContact CZ-NE2 3.45Å
239P92.7Very high92.2Very high91 Ų9147 Ų4759%0.59124%0.241SC*.Hα-helixtrans-63-23.4174.8-2637.2000114.1K234 V235 I237K234-P239 WeakPolarHBondContact O-CD 3.33Å; V235-P239 WeakPolarHBondContact O-CG 3.31Å; I237-P239 VanDerWaalsContact C-N 3.33Å
240V93Very high92.7Very high18 Ų1848.2 Ų48.211%0.10925%0.246CC..Hα-helixtrans-112.9-16.8-177.2-59.40000113.5L190 I237 F238 Q242 Q243 F244L190-V240 HydrophobicContact CB-CG2 4.4Å; L190-V240 HydrophobicContact CD1-CG2 3.99Å; I237-V240 VanDerWaalsContact O-CG2 3.25Å; I237-V240 WeakPolarHBondContact O-CG2 3.45Å; I237-V240 PolarHBondContact O-N 3.48Å; F238-V240 PolarHBondContact O-N 2.94Å; V240-Q242 VanDerWaalsContact C-N 3.34Å; V240-Q242 PolarHBondContact O-N 3.35Å; V240-Q243 HydrophobicContact CB-CG 4.46Å; V240-Q243 WeakPolarHBondContact O-CG 3.49Å; V240-Q243 PolarHBondContact O-N 3.23Å; V240-F244 HydrophobicContact CB-CD2 4Å; V240-F244 HydrophobicContact CB-CE2 4.11Å; V240-F244 HydrophobicContact CG2-CD2 4.14Å; V240-F244 HydrophobicContact CG2-CE2 4.18Å; V240-F244 WeakPolarHBondContact O-CD2 3.34Å; V240-F244 PolarHBondContact O-N 3.3Å
241V91.7Very high93.3Very high9 Ų939.4 Ų39.46%0.05521%0.209CC..Hα-helixtrans-57.1-45.3-172.374.20000112.4I237 Q243 F244 T245 L275I237-V241 PolarHBondContact O-N 3.03Å; V241-Q243 PolarHBondContact O-N 2.93Å; V241-F244 PolarHBondContact O-N 3.12Å; V241-T245 PolarHBondContact O-N 2.94Å; V241-T245 PolarHBondContact O-OG1 2.9Å; V241-L275 HydrophobicContact CG2-CD1 3.96Å; V241-L275 HydrophobicContact CG2-CD2 3.95Å
242Q92.1Very high93.6Very high85 Ų8539.1 Ų39.140%0.39720%0.202SC..Hα-helixtrans-61.7-45.7-175.7-177.56127.100112.4V240 T245 E246V240-Q242 VanDerWaalsContact C-N 3.34Å; V240-Q242 PolarHBondContact O-N 3.35Å; Q242-T245 PolarHBondContact O-N 3.25Å; Q242-E246 PolarHBondContact NE2-OE1 2.75Å; Q242-E246 WeakPolarHBondContact O-CG 3.22Å; Q242-E246 PolarHBondContact O-N 3.01Å
243Q94.7Very high93.8Very high65 Ų6544.1 Ų44.130%0.30422%0.224SC..Hα-helixtrans-65.6-39.8178.658172.720.800111.4Y194 V240 V241 A247Y194-Q243 HydrophobicContact CD2-CG 4.21Å; Y194-Q243 HydrophobicContact CE2-CB 3.89Å; Y194-Q243 HydrophobicContact CE2-CG 4Å; Y194-Q243 WeakPolarHBondContact CE2-O 3.06Å; V240-Q243 HydrophobicContact CB-CG 4.46Å; V240-Q243 WeakPolarHBondContact O-CG 3.49Å; V240-Q243 PolarHBondContact O-N 3.23Å; V241-Q243 PolarHBondContact O-N 2.93Å; Q243-A247 WeakPolarHBondContact O-CB 3.36Å; Q243-A247 PolarHBondContact O-N 3.29Å
244F96.9Very high94Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-63.5-46175.1-90.4-82.1000110.9L190 M193 Y194 F197 F215 V240 V241 E246 A247 F248L190-F244 WeakPolarHBondContact O-CZ 3.23Å; M193-F244 HydrophobicContact CB-CZ 4.26Å; Y194-F244 VanDerWaalsContact CB-CZ 3.47Å; Y194-F244 HydrophobicContact CD2-CD1 4Å; Y194-F244 AromaticContact CD2-CD2 3.97Å; Y194-F244 HydrophobicContact CD2-CD2 3.97Å; Y194-F244 HydrophobicContact CD2-CE1 4.08Å; Y194-F244 HydrophobicContact CD2-CE2 4.05Å; Y194-F244 AromaticContact CD2-CG 3.97Å; Y194-F244 HydrophobicContact CD2-CG 3.97Å; Y194-F244 HydrophobicContact CD2-CZ 4.11Å; Y194-F244 HydrophobicContact CG-CE2 4.26Å; Y194-F244 HydrophobicContact CG-CZ 4.29Å; F197-F244 HydrophobicContact CD1-CD1 4.39Å; F215-F244 HydrophobicContact CB-CE1 4.16Å; F215-F244 AromaticContact CD2-CD1 3.8Å; F215-F244 HydrophobicContact CD2-CD1 3.8Å; F215-F244 AromaticContact CD2-CD2 3.89Å; F215-F244 HydrophobicContact CD2-CD2 3.89Å; F215-F244 AromaticContact CD2-CE1 3.7Å; F215-F244 HydrophobicContact CD2-CE1 3.7Å; F215-F244 AromaticContact CD2-CE2 3.79Å; F215-F244 HydrophobicContact CD2-CE2 3.79Å; F215-F244 AromaticContact CD2-CG 3.88Å; F215-F244 HydrophobicContact CD2-CG 3.88Å; F215-F244 AromaticContact CD2-CZ 3.68Å; F215-F244 HydrophobicContact CD2-CZ 3.68Å; F215-F244 HydrophobicContact CE2-CB 4.08Å; F215-F244 HydrophobicContact CE2-CD1 4.06Å; F215-F244 AromaticContact CE2-CD2 3.67Å; F215-F244 HydrophobicContact CE2-CD2 3.67Å; F215-F244 HydrophobicContact CE2-CE1 4.36Å; F215-F244 HydrophobicContact CE2-CE2 4.01Å; F215-F244 AromaticContact CE2-CG 3.68Å; F215-F244 HydrophobicContact CE2-CG 3.68Å; F215-F244 HydrophobicContact CE2-CZ 4.33Å; F215-F244 HydrophobicContact CG-CD1 4.12Å; F215-F244 HydrophobicContact CG-CE1 4.01Å; F215-F244 HydrophobicContact CG-CZ 4.37Å; F215-F244 HydrophobicContact CZ-CB 4.17Å; F215-F244 HydrophobicContact CZ-CG 4.22Å; V240-F244 HydrophobicContact CB-CD2 4Å; V240-F244 HydrophobicContact CB-CE2 4.11Å; V240-F244 HydrophobicContact CG2-CD2 4.14Å; V240-F244 HydrophobicContact CG2-CE2 4.18Å; V240-F244 WeakPolarHBondContact O-CD2 3.34Å; V240-F244 PolarHBondContact O-N 3.3Å; V241-F244 PolarHBondContact O-N 3.12Å; F244-E246 PolarHBondContact O-N 3.42Å; F244-A247 CarbonylContact O-C 3.53Å; F244-A247 PolarHBondContact O-N 3.39Å; F244-A247 VanDerWaalsContact O-N 3.16Å; F244-F248 HydrophobicContact CB-CE2 3.89Å; F244-F248 HydrophobicContact CB-CZ 3.97Å; F244-F248 HydrophobicContact CD1-CE1 4.06Å; F244-F248 HydrophobicContact CD1-CE2 4.48Å; F244-F248 AromaticContact CD1-CZ 3.71Å; F244-F248 HydrophobicContact CD1-CZ 3.71Å; F244-F248 HydrophobicContact CG-CZ 4.28Å; F244-F248 VanDerWaalsContact O-CD2 3.29Å; F244-F248 WeakPolarHBondContact O-CD2 3.35Å; F244-F248 WeakPolarHBondContact O-CG 3.19Å; F244-F248 PolarHBondContact O-N 3.5Å
245T95.1Very high93.9Very high2 Ų246.1 Ų46.11%0.01225%0.245CC..Hα-helixtrans-62.5-41.5179-51.20000112.5V241 Q242 A247 F248 V249 M283 S286 I290V241-T245 PolarHBondContact O-N 2.94Å; V241-T245 PolarHBondContact O-OG1 2.9Å; Q242-T245 PolarHBondContact O-N 3.25Å; T245-A247 VanDerWaalsContact C-N 3.32Å; T245-A247 PolarHBondContact O-N 3.45Å; T245-F248 PolarHBondContact O-N 3.33Å; T245-V249 WeakPolarHBondContact O-CG2 3.36Å; T245-V249 PolarHBondContact O-N 2.96Å; T245-M283 HydrophobicContact CG2-CE 3.91Å; T245-M283 HydrophobicContact CG2-SD 4.18Å; T245-S286 VanDerWaalsContact CG2-OG 3.3Å; T245-S286 WeakPolarHBondContact CG2-OG 3.32Å; T245-I290 HydrophobicContact CG2-CD1 4.04Å
246E95.6Very high93.7Very high99 Ų9945.6 Ų45.646%0.46324%0.239SC..Hα-helixtrans-61.2-41.3173.8-74.3172.9-166.600111.9Q242 F244 V249 Q250Q242-E246 PolarHBondContact NE2-OE1 2.75Å; Q242-E246 WeakPolarHBondContact O-CG 3.22Å; Q242-E246 PolarHBondContact O-N 3.01Å; F244-E246 PolarHBondContact O-N 3.42Å; E246-V249 PolarHBondContact O-N 2.95Å; E246-Q250 WeakPolarHBondContact O-CG 3.31Å; E246-Q250 PolarHBondContact O-N 2.92Å; E246-Q250 VanDerWaalsContact O-N 3.13Å
247A96.5Very high93.5Very high8 Ų847 Ų477%0.06626%0.255CS..Hα-helixtrans-71-32.5176.500000112.7Y194 F197 T198 Q243 F244 T245 Q250 A251Y194-A247 HydrophobicContact CE2-CB 3.93Å; F197-A247 HydrophobicContact CD1-CB 3.99Å; F197-A247 HydrophobicContact CE1-CB 3.38Å; F197-A247 HydrophobicContact CZ-CB 4.31Å; T198-A247 HydrophobicContact CG2-CB 3.97Å; Q243-A247 WeakPolarHBondContact O-CB 3.36Å; Q243-A247 PolarHBondContact O-N 3.29Å; F244-A247 CarbonylContact O-C 3.53Å; F244-A247 PolarHBondContact O-N 3.39Å; F244-A247 VanDerWaalsContact O-N 3.16Å; T245-A247 VanDerWaalsContact C-N 3.32Å; T245-A247 PolarHBondContact O-N 3.45Å; A247-Q250 PolarHBondContact O-N 2.78Å; A247-A251 WeakPolarHBondContact O-CB 3.31Å; A247-A251 PolarHBondContact O-N 3.38Å
248F97.5Very high93.2Very high0 Ų053 Ų530%029%0.294CS..Hα-helixtrans-63.8-45.4171.2-63.8-31.4000111.4F197 V212 F215 F244 T245 Q250 A251 L252 V268 A271 V272 L275F197-F248 HydrophobicContact CD1-CE1 4.38Å; F197-F248 AromaticContact CE1-CD1 3.59Å; F197-F248 HydrophobicContact CE1-CD1 3.59Å; F197-F248 AromaticContact CE1-CE1 3.73Å; F197-F248 HydrophobicContact CE1-CE1 3.73Å; F197-F248 HydrophobicContact CE2-CD1 4.34Å; F197-F248 HydrophobicContact CE2-CE1 4.46Å; F197-F248 AromaticContact CZ-CD1 3.46Å; F197-F248 HydrophobicContact CZ-CD1 3.46Å; F197-F248 VanDerWaalsContact CZ-CD1 3.46Å; F197-F248 AromaticContact CZ-CE1 3.84Å; F197-F248 HydrophobicContact CZ-CE1 3.84Å; V212-F248 HydrophobicContact CG1-CE1 3.94Å; V212-F248 HydrophobicContact CG1-CZ 4.41Å; V212-F248 HydrophobicContact CG2-CE1 4.19Å; F215-F248 HydrophobicContact CD1-CE2 4.2Å; F215-F248 AromaticContact CD1-CZ 3.68Å; F215-F248 HydrophobicContact CD1-CZ 3.68Å; F215-F248 AromaticContact CE1-CE2 3.7Å; F215-F248 HydrophobicContact CE1-CE2 3.7Å; F215-F248 AromaticContact CE1-CZ 3.67Å; F215-F248 HydrophobicContact CE1-CZ 3.67Å; F215-F248 HydrophobicContact CG-CZ 4.35Å; F215-F248 HydrophobicContact CZ-CE2 4.22Å; F215-F248 HydrophobicContact CZ-CZ 4.33Å; F244-F248 HydrophobicContact CB-CE2 3.89Å; F244-F248 HydrophobicContact CB-CZ 3.97Å; F244-F248 HydrophobicContact CD1-CE1 4.06Å; F244-F248 HydrophobicContact CD1-CE2 4.48Å; F244-F248 AromaticContact CD1-CZ 3.71Å; F244-F248 HydrophobicContact CD1-CZ 3.71Å; F244-F248 HydrophobicContact CG-CZ 4.28Å; F244-F248 VanDerWaalsContact O-CD2 3.29Å; F244-F248 WeakPolarHBondContact O-CD2 3.35Å; F244-F248 WeakPolarHBondContact O-CG 3.19Å; F244-F248 PolarHBondContact O-N 3.5Å; T245-F248 PolarHBondContact O-N 3.33Å; F248-Q250 VanDerWaalsContact C-N 3.3Å; F248-Q250 PolarHBondContact O-N 3.25Å; F248-A251 PolarHBondContact O-N 2.97Å; F248-L252 WeakPolarHBondContact O-CG 3.12Å; F248-L252 PolarHBondContact O-N 3.11Å; F248-V268 HydrophobicContact CB-CG1 3.64Å; F248-V268 HydrophobicContact CD1-CG1 3.75Å; F248-V268 HydrophobicContact CD1-CG2 4.38Å; F248-V268 HydrophobicContact CG-CG1 3.93Å; F248-A271 HydrophobicContact CE1-CB 4.26Å; F248-A271 HydrophobicContact CE2-CB 3.97Å; F248-A271 HydrophobicContact CZ-CB 3.78Å; F248-V272 HydrophobicContact CB-CG2 4.05Å; F248-V272 HydrophobicContact CD2-CG2 4Å; F248-V272 HydrophobicContact CG-CG2 4.27Å; F248-L275 HydrophobicContact CE2-CD1 4.07Å
249V96Very high93.1Very high7 Ų753.4 Ų53.44%0.04230%0.301CS..Hα-helixtrans-57-45.8175.5169.90000110.8T245 E246 Q253 Q289 I290 I293T245-V249 WeakPolarHBondContact O-CG2 3.36Å; T245-V249 PolarHBondContact O-N 2.96Å; E246-V249 PolarHBondContact O-N 2.95Å; V249-Q253 WeakPolarHBondContact O-CG 3.3Å; V249-Q253 PolarHBondContact O-N 3.16Å; V249-Q289 HydrophobicContact CG1-CB 4.15Å; V249-Q289 HydrophobicContact CG2-CB 4.32Å; V249-I290 HydrophobicContact CG2-CD1 4.29Å; V249-I290 HydrophobicContact CG2-CG1 3.59Å; V249-I293 HydrophobicContact CG1-CD1 3.84Å
250Q95.4Very high93.1Very high127 Ų12749.1 Ų49.159%0.59327%0.273SS*.Hα-helixtrans-64-44.5176.7-69.9177.115.200111.9E246 A247 F248 L252 Q253 I254E246-Q250 WeakPolarHBondContact O-CG 3.31Å; E246-Q250 PolarHBondContact O-N 2.92Å; E246-Q250 VanDerWaalsContact O-N 3.13Å; A247-Q250 PolarHBondContact O-N 2.78Å; F248-Q250 VanDerWaalsContact C-N 3.3Å; F248-Q250 PolarHBondContact O-N 3.25Å; Q250-L252 PolarHBondContact O-N 3.08Å; Q250-Q253 PolarHBondContact O-N 3.04Å; Q250-I254 WeakPolarHBondContact O-CG1 3.47Å
251A95.8Very high93.1Very high3 Ų349.1 Ų49.13%0.02527%0.272CS..Hα-helixtrans-60.9-42.4-179.500000112.7F197 A247 F248 Q253 I254 F264 V268F197-A251 HydrophobicContact CE2-CB 4.2Å; F197-A251 HydrophobicContact CZ-CB 3.88Å; A247-A251 WeakPolarHBondContact O-CB 3.31Å; A247-A251 PolarHBondContact O-N 3.38Å; F248-A251 PolarHBondContact O-N 2.97Å; A251-Q253 PolarHBondContact O-N 2.73Å; A251-I254 PolarHBondContact O-N 2.93Å; A251-F264 HydrophobicContact CB-CE1 3.79Å; A251-F264 HydrophobicContact CB-CZ 4.08Å; A251-V268 HydrophobicContact CB-CG1 4.46Å; A251-V268 HydrophobicContact CB-CG2 4.11Å
252L94.8Very high93Very high13 Ų1349.2 Ų49.27%0.06827%0.274CS..Hα-helixtrans-66.7-24.7178.8-68.6172000113.1F248 Q250 K265 V268 I293F248-L252 WeakPolarHBondContact O-CG 3.12Å; F248-L252 PolarHBondContact O-N 3.11Å; Q250-L252 PolarHBondContact O-N 3.08Å; L252-K265 HydrophobicContact CD2-CB 4.15Å; L252-K265 HydrophobicContact CD2-CG 4.39Å; L252-V268 HydrophobicContact CD1-CG1 4.14Å; L252-V268 HydrophobicContact CD2-CB 4.13Å; L252-V268 HydrophobicContact CD2-CG1 3.84Å; L252-V268 HydrophobicContact CG-CB 4.48Å; L252-V268 HydrophobicContact CG-CG1 3.68Å; L252-I293 HydrophobicContact CB-CG2 3.7Å
253Q93.3Very high93Very high116 Ų11645.2 Ų45.254%0.54226%0.255SS..Hα-helixtrans-81.2-15.1178.4-70.8177.3-16.900113.9V249 Q250 A251 P255 I293V249-Q253 WeakPolarHBondContact O-CG 3.3Å; V249-Q253 PolarHBondContact O-N 3.16Å; Q250-Q253 PolarHBondContact O-N 3.04Å; A251-Q253 PolarHBondContact O-N 2.73Å; Q253-P255 WeakPolarHBondContact O-CD 3.44Å; Q253-I293 HydrophobicContact CG-CD1 3.64Å; Q253-I293 HydrophobicContact CG-CG1 3.97Å; Q253-I293 HydrophobicContact CG-CG2 4.38Å
254I92.4Very high93Very high60 Ų6042.1 Ų42.131%0.30824%0.24SC..SBendtrans-74123.9-177.5-62.3169.9000108.7Q250 A251 K265Q250-I254 WeakPolarHBondContact O-CG1 3.47Å; A251-I254 PolarHBondContact O-N 2.93Å; I254-K265 WeakPolarHBondContact O-CE 3.16Å; I254-K265 PolarHBondContact O-NZ 3.39Å
255P88.6Confident92.9Very high103 Ų10343.1 Ų43.167%0.66925%0.245SC*.PPolyproline II helixtrans-62.5156.4173.5-21.433.5000111.9Q253 G257Q253-P255 WeakPolarHBondContact O-CD 3.44Å; P255-G257 PolarHBondContact O-N 2.74Å
256D87.7Confident92.9Very high95 Ų9543.5 Ų43.551%0.50825%0.246SC..SBendtrans-63139.6179.6-63.5-9.3000111.2S260 K265D256-S260 CarbonylContact C-O 3.46Å; D256-S260 WeakPolarHBondContact CA-O 3.32Å; D256-K265 WeakPolarHBondContact OD1-CE 3.47Å; D256-K265 IonicContact OD1-NZ 3.8Å; D256-K265 PolarHBondContact OD1-NZ 2.74Å
257G88.9Confident92.9Very high40 Ų4040 Ų4041%0.41223%0.23SC..BIsolated β-bridgetrans169.9-155.1-17300000112.4P255 T259 S260P255-G257 PolarHBondContact O-N 2.74Å; G257-T259 PolarHBondContact O-N 3.33Å; G257-T259 VanDerWaalsContact O-N 3.11Å; G257-S260 PolarHBondContact N-O 3.46Å
258P86.6Confident92.9Very high128 Ų12839.7 Ų39.783%0.83123%0.227SC*.THydrogen-bonded Turntrans-70.4-10.9-172.228-35.5000114.6
259T90.7Very high92.9Very high53 Ų5339.9 Ų39.933%0.32523%0.228SC..THydrogen-bonded Turntrans-124.8-1.7-176.158.80000114.1A200 R208 G257A200-T259 HydrophobicContact CB-CG2 4.46Å; R208-T259 PolarHBondContact NH1-O 3.22Å; G257-T259 PolarHBondContact O-N 3.33Å; G257-T259 VanDerWaalsContact O-N 3.11Å
260S92.7Very high93Very high0 Ų042.8 Ų42.80%024%0.24CC..BIsolated β-bridgetrans-155140.6179.9-174.20000109.4D256 G257D256-S260 CarbonylContact C-O 3.46Å; D256-S260 WeakPolarHBondContact CA-O 3.32Å; G257-S260 PolarHBondContact N-O 3.46Å
261D91.7Very high93.1Very high18 Ų1836.7 Ų36.710%0.09621%0.212CC..  trans-146177.2174.267.1-5.2000110I205 R206 G263 F264 K265I205-D261 WeakPolarHBondContact CG2-OD1 3.27Å; R206-D261 IonicContact CZ-OD2 2.85Å; R206-D261 IonicContact NH1-OD1 3.07Å; R206-D261 IonicContact NH1-OD2 3.95Å; R206-D261 PolarHBondContact NH1-OD2 3.44Å; R206-D261 IonicContact NH2-OD2 3.52Å; D261-G263 VanDerWaalsContact C-N 3.3Å; D261-G263 PolarHBondContact O-N 2.94Å; D261-G263 PolarHBondContact OD1-N 3.24Å; D261-F264 PolarHBondContact O-N 3.49Å; D261-F264 VanDerWaalsContact OD1-CB 3.27Å; D261-F264 WeakPolarHBondContact OD1-CB 3.47Å; D261-F264 PolarHBondContact OD1-N 2.9Å; D261-K265 PolarHBondContact O-N 2.99Å; D261-K265 VanDerWaalsContact O-N 3.08Å
262S90.7Very high93.1Very high12 Ų1236.6 Ų36.68%0.08421%0.211CC..Hα-helixtrans-55.6-43.1177.4-59.60000112.5F264 K265 M266S262-F264 PolarHBondContact O-N 3.26Å; S262-K265 PolarHBondContact O-N 3.21Å; S262-M266 VanDerWaalsContact O-CB 3.28Å; S262-M266 WeakPolarHBondContact O-CB 3.27Å; S262-M266 PolarHBondContact O-N 3.42Å
263G91.6Very high93.2Very high0 Ų036.3 Ų36.30%021%0.21CC..Hα-helixtrans-62.9-38.3178.300000114.1D261 M266 E267D261-G263 VanDerWaalsContact C-N 3.3Å; D261-G263 PolarHBondContact O-N 2.94Å; D261-G263 PolarHBondContact OD1-N 3.24Å; G263-M266 WeakPolarHBondContact O-CB 3.41Å; G263-E267 PolarHBondContact O-N 3.12Å
264F94.7Very high93.3Very high0 Ų030.9 Ų30.90%019%0.185CC..Hα-helixtrans-68.7-43.7174.4178.7-118.6000112.2F197 I205 R208 S209 V212 A251 D261 S262 M266 E267 V268F197-F264 AromaticContact CD2-CE2 3.98Å; F197-F264 HydrophobicContact CD2-CE2 3.98Å; F197-F264 AromaticContact CD2-CZ 3.95Å; F197-F264 HydrophobicContact CD2-CZ 3.95Å; F197-F264 AromaticContact CE2-CE2 3.73Å; F197-F264 HydrophobicContact CE2-CE2 3.73Å; F197-F264 AromaticContact CE2-CZ 3.42Å; F197-F264 HydrophobicContact CE2-CZ 3.42Å; F197-F264 VanDerWaalsContact CE2-CZ 3.42Å; F197-F264 HydrophobicContact CZ-CZ 4.46Å; I205-F264 HydrophobicContact CG2-CB 3.64Å; I205-F264 HydrophobicContact CG2-CG 4.16Å; R208-F264 HydrophobicContact CB-CD2 4.45Å; R208-F264 HydrophobicContact CB-CE2 3.81Å; R208-F264 HydrophobicContact CB-CZ 4.45Å; R208-F264 VanDerWaalsContact NH2-CZ 3.32Å; S209-F264 WeakPolarHBondContact OG-CD2 3.34Å; V212-F264 HydrophobicContact CG2-CE2 4.4Å; A251-F264 HydrophobicContact CB-CE1 3.79Å; A251-F264 HydrophobicContact CB-CZ 4.08Å; D261-F264 PolarHBondContact O-N 3.49Å; D261-F264 VanDerWaalsContact OD1-CB 3.27Å; D261-F264 WeakPolarHBondContact OD1-CB 3.47Å; D261-F264 PolarHBondContact OD1-N 2.9Å; S262-F264 PolarHBondContact O-N 3.26Å; F264-M266 VanDerWaalsContact C-N 3.29Å; F264-M266 PolarHBondContact O-N 2.93Å; F264-E267 PolarHBondContact O-N 2.79Å; F264-V268 HydrophobicContact CD2-CG2 4.49Å; F264-V268 HydrophobicContact CE1-CG2 4.43Å; F264-V268 HydrophobicContact CE2-CG2 4.19Å; F264-V268 HydrophobicContact CZ-CG2 4.19Å; F264-V268 WeakPolarHBondContact O-CG2 3.4Å; F264-V268 PolarHBondContact O-N 3.26Å
265K95.2Very high93.4Very high22 Ų2228 Ų2810%0.09617%0.17CC..Hα-helixtrans-63.8-36.7175.9-69177.6-179.1163.90111.9L252 I254 D256 D261 S262 V268 L269 L332L252-K265 HydrophobicContact CD2-CB 4.15Å; L252-K265 HydrophobicContact CD2-CG 4.39Å; I254-K265 WeakPolarHBondContact O-CE 3.16Å; I254-K265 PolarHBondContact O-NZ 3.39Å; D256-K265 WeakPolarHBondContact OD1-CE 3.47Å; D256-K265 IonicContact OD1-NZ 3.8Å; D256-K265 PolarHBondContact OD1-NZ 2.74Å; D261-K265 PolarHBondContact O-N 2.99Å; D261-K265 VanDerWaalsContact O-N 3.08Å; S262-K265 PolarHBondContact O-N 3.21Å; K265-V268 PolarHBondContact O-N 2.97Å; K265-L269 WeakPolarHBondContact O-CB 3.36Å; K265-L269 PolarHBondContact O-N 3.44Å; K265-L332 HydrophobicContact CB-CD1 3.88Å; K265-L332 HydrophobicContact CB-CD2 4.27Å; K265-L332 HydrophobicContact CD-CD2 4.39Å
266M94.8Very high93.6Very high9 Ų923.1 Ų23.14%0.04414%0.138CC..Hα-helixtrans-57.4-52.7174.3179-159.56200110.5S262 G263 F264 V268 L269 K270 L327 N331 L332 S335S262-M266 VanDerWaalsContact O-CB 3.28Å; S262-M266 WeakPolarHBondContact O-CB 3.27Å; S262-M266 PolarHBondContact O-N 3.42Å; G263-M266 WeakPolarHBondContact O-CB 3.41Å; F264-M266 VanDerWaalsContact C-N 3.29Å; F264-M266 PolarHBondContact O-N 2.93Å; M266-V268 VanDerWaalsContact C-N 3.34Å; M266-V268 PolarHBondContact O-N 3.25Å; M266-L269 PolarHBondContact O-N 2.88Å; M266-L269 VanDerWaalsContact O-N 3.12Å; M266-K270 WeakPolarHBondContact O-CG 3.31Å; M266-K270 PolarHBondContact O-N 3.17Å; M266-L327 HydrophobicContact CE-CD2 3.8Å; M266-N331 HydrophobicContact CG-CB 4.36Å; M266-N331 HydrophobicContact SD-CB 3.38Å; M266-N331 WeakPolarHBondContact SD-CB 2.88Å; M266-L332 HydrophobicContact CB-CD1 4.42Å; M266-S335 WeakPolarHBondContact CG-OG 3.28Å
267E95.5Very high93.8Very high27 Ų2722.9 Ų22.913%0.12613%0.133CC..Hα-helixtrans-62.6-39178.2-71.5-56.4132.500112.8V212 G263 F264 L269 K270 A271V212-E267 HydrophobicContact CB-CB 4.47Å; V212-E267 HydrophobicContact CG1-CB 4.42Å; V212-E267 VanDerWaalsContact CG1-O 3.26Å; V212-E267 WeakPolarHBondContact CG1-O 3.46Å; G263-E267 PolarHBondContact O-N 3.12Å; F264-E267 PolarHBondContact O-N 2.79Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.38Å; E267-K270 PolarHBondContact O-N 3.15Å; E267-K270 IonicContact OE1-NZ 3.53Å; E267-K270 PolarHBondContact OE1-NZ 2.93Å; E267-A271 PolarHBondContact O-N 3.16Å
268V97.6Very high93.9Very high0 Ų022.8 Ų22.80%012%0.123CC..Hα-helixtrans-62.7-40.5173.2174.50000111.6F197 V212 F248 A251 L252 F264 K265 M266 A271 V272F197-V268 HydrophobicContact CE2-CG2 3.98Å; F197-V268 HydrophobicContact CZ-CG2 4.27Å; V212-V268 HydrophobicContact CG1-CG2 4.4Å; V212-V268 HydrophobicContact CG2-CG2 4.16Å; F248-V268 HydrophobicContact CB-CG1 3.64Å; F248-V268 HydrophobicContact CD1-CG1 3.75Å; F248-V268 HydrophobicContact CD1-CG2 4.38Å; F248-V268 HydrophobicContact CG-CG1 3.93Å; A251-V268 HydrophobicContact CB-CG1 4.46Å; A251-V268 HydrophobicContact CB-CG2 4.11Å; L252-V268 HydrophobicContact CD1-CG1 4.14Å; L252-V268 HydrophobicContact CD2-CB 4.13Å; L252-V268 HydrophobicContact CD2-CG1 3.84Å; L252-V268 HydrophobicContact CG-CB 4.48Å; L252-V268 HydrophobicContact CG-CG1 3.68Å; F264-V268 HydrophobicContact CD2-CG2 4.49Å; F264-V268 HydrophobicContact CE1-CG2 4.43Å; F264-V268 HydrophobicContact CE2-CG2 4.19Å; F264-V268 HydrophobicContact CZ-CG2 4.19Å; F264-V268 WeakPolarHBondContact O-CG2 3.4Å; F264-V268 PolarHBondContact O-N 3.26Å; K265-V268 PolarHBondContact O-N 2.97Å; M266-V268 VanDerWaalsContact C-N 3.34Å; M266-V268 PolarHBondContact O-N 3.25Å; V268-A271 WeakPolarHBondContact O-CB 3.4Å; V268-A271 PolarHBondContact O-N 3.39Å; V268-V272 WeakPolarHBondContact O-CG2 3.31Å; V268-V272 PolarHBondContact O-N 3.37Å
269L97Very high94.1Very high4 Ų417.4 Ų17.42%0.0219%0.086CC..Hα-helixtrans-71.4-39179.4-17360.4000111.8K265 M266 E267 A271 V272 T273 V294 L332 S335 I336 F339K265-L269 WeakPolarHBondContact O-CB 3.36Å; K265-L269 PolarHBondContact O-N 3.44Å; M266-L269 PolarHBondContact O-N 2.88Å; M266-L269 VanDerWaalsContact O-N 3.12Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.38Å; L269-A271 VanDerWaalsContact C-N 3.32Å; L269-A271 PolarHBondContact O-N 3.36Å; L269-V272 CarbonylContact O-C 3.58Å; L269-V272 WeakPolarHBondContact O-CB 3.4Å; L269-V272 PolarHBondContact O-N 3.1Å; L269-V272 VanDerWaalsContact O-N 3.12Å; L269-T273 WeakPolarHBondContact O-CB 3.39Å; L269-T273 PolarHBondContact O-N 2.96Å; L269-T273 PolarHBondContact O-OG1 3.08Å; L269-V294 HydrophobicContact CD1-CG1 4.41Å; L269-V294 HydrophobicContact CD1-CG2 3.8Å; L269-L332 HydrophobicContact CD2-CD1 4.37Å; L269-S335 WeakPolarHBondContact CD2-O 3.48Å; L269-I336 HydrophobicContact CD2-CB 4.17Å; L269-I336 HydrophobicContact CD2-CG1 3.42Å; L269-I336 VanDerWaalsContact CD2-CG1 3.42Å; L269-F339 HydrophobicContact CD1-CB 4.1Å; L269-F339 HydrophobicContact CD1-CD1 4.37Å; L269-F339 HydrophobicContact CD1-CD2 4.04Å; L269-F339 HydrophobicContact CD1-CG 3.93Å; L269-F339 HydrophobicContact CG-CB 4.31Å
270K97Very high94.1Very high68 Ų6816 Ų1630%0.2968%0.078SC..Hα-helixtrans-57.1-43.7170.6-72.1178-176.9171.70112.2M266 E267 V272 T273 A274M266-K270 WeakPolarHBondContact O-CG 3.31Å; M266-K270 PolarHBondContact O-N 3.17Å; E267-K270 PolarHBondContact O-N 3.15Å; E267-K270 IonicContact OE1-NZ 3.53Å; E267-K270 PolarHBondContact OE1-NZ 2.93Å; K270-V272 PolarHBondContact O-N 3.12Å; K270-T273 PolarHBondContact O-N 2.93Å; K270-A274 WeakPolarHBondContact O-CB 3.42Å; K270-A274 PolarHBondContact O-N 3.28Å
271A97.4Very high93.9Very high0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-59.4-45173.500000112.2V212 F215 T216 F248 E267 V268 L269 A274 L275V212-A271 HydrophobicContact CG1-CB 3.57Å; F215-A271 HydrophobicContact CD1-CB 4.16Å; F215-A271 HydrophobicContact CE1-CB 4.36Å; T216-A271 VanDerWaalsContact OG1-CA 3.26Å; T216-A271 WeakPolarHBondContact OG1-CA 3.37Å; T216-A271 VanDerWaalsContact OG1-CB 3.25Å; T216-A271 WeakPolarHBondContact OG1-CB 3.38Å; F248-A271 HydrophobicContact CE1-CB 4.26Å; F248-A271 HydrophobicContact CE2-CB 3.97Å; F248-A271 HydrophobicContact CZ-CB 3.78Å; E267-A271 PolarHBondContact O-N 3.16Å; V268-A271 WeakPolarHBondContact O-CB 3.4Å; V268-A271 PolarHBondContact O-N 3.39Å; L269-A271 VanDerWaalsContact C-N 3.32Å; L269-A271 PolarHBondContact O-N 3.36Å; A271-A274 PolarHBondContact O-N 3.02Å; A271-L275 WeakPolarHBondContact O-CG 3.4Å; A271-L275 PolarHBondContact O-N 3.2Å
272V97Very high93.7Very high0 Ų023.2 Ų23.20%011%0.11CC..Hα-helixtrans-63.6-44.9176.9169.50000111.1F248 V268 L269 K270 A274 L275 V276 M283 I290 F339F248-V272 HydrophobicContact CB-CG2 4.05Å; F248-V272 HydrophobicContact CD2-CG2 4Å; F248-V272 HydrophobicContact CG-CG2 4.27Å; V268-V272 WeakPolarHBondContact O-CG2 3.31Å; V268-V272 PolarHBondContact O-N 3.37Å; L269-V272 CarbonylContact O-C 3.58Å; L269-V272 WeakPolarHBondContact O-CB 3.4Å; L269-V272 PolarHBondContact O-N 3.1Å; L269-V272 VanDerWaalsContact O-N 3.12Å; K270-V272 PolarHBondContact O-N 3.12Å; V272-A274 VanDerWaalsContact C-N 3.34Å; V272-A274 PolarHBondContact O-N 3.48Å; V272-L275 PolarHBondContact O-N 3.45Å; V272-V276 HydrophobicContact CG1-CG2 4.43Å; V272-V276 WeakPolarHBondContact O-CG2 3.31Å; V272-V276 PolarHBondContact O-N 2.82Å; V272-M283 HydrophobicContact CG1-CE 4.1Å; V272-I290 HydrophobicContact CG1-CD1 3.99Å; V272-I290 HydrophobicContact CG1-CG2 4.02Å; V272-I290 HydrophobicContact CG2-CD1 4.41Å; V272-F339 HydrophobicContact CG1-CD2 4.3Å; V272-F339 HydrophobicContact CG1-CE2 3.75Å
273T96.3Very high93.8Very high8 Ų822.7 Ų22.75%0.04911%0.106CC..Hα-helixtrans-57.5-47176-60.50000111L269 K270 L275 V276 K277 F339 A342L269-T273 WeakPolarHBondContact O-CB 3.39Å; L269-T273 PolarHBondContact O-N 2.96Å; L269-T273 PolarHBondContact O-OG1 3.08Å; K270-T273 PolarHBondContact O-N 2.93Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 2.86Å; T273-V276 PolarHBondContact O-N 3.1Å; T273-V276 VanDerWaalsContact O-N 3.14Å; T273-K277 WeakPolarHBondContact O-CG 3.26Å; T273-K277 PolarHBondContact O-N 2.85Å; T273-F339 WeakPolarHBondContact OG1-CA 3.04Å; T273-F339 WeakPolarHBondContact OG1-CB 3.32Å; T273-A342 HydrophobicContact CG2-CB 3.73Å
274A95Very high93.8Very high2 Ų225.7 Ų25.72%0.01712%0.124CC..Hα-helixtrans-57.6-45.4175.600000112.1T216 H220 K270 A271 V272 V276 K277 N278T216-A274 HydrophobicContact CG2-CB 3.88Å; H220-A274 WeakPolarHBondContact CE1-CB 3.25Å; K270-A274 WeakPolarHBondContact O-CB 3.42Å; K270-A274 PolarHBondContact O-N 3.28Å; A271-A274 PolarHBondContact O-N 3.02Å; V272-A274 VanDerWaalsContact C-N 3.34Å; V272-A274 PolarHBondContact O-N 3.48Å; A274-V276 VanDerWaalsContact C-N 3.33Å; A274-V276 PolarHBondContact O-N 3.18Å; A274-K277 PolarHBondContact O-N 2.99Å; A274-N278 WeakPolarHBondContact O-CB 3.44Å; A274-N278 PolarHBondContact O-N 3.21Å; A274-N278 PolarHBondContact O-ND2 3.41Å; A274-N278 VanDerWaalsContact O-ND2 3.14Å
275L94.7Very high93.6Very high0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-66.7-33.3177-67.5176.7000113F215 A219 I237 V241 F248 A271 V272 T273 F279 M283F215-L275 HydrophobicContact CE1-CD1 4.01Å; F215-L275 HydrophobicContact CE1-CD2 4.24Å; F215-L275 HydrophobicContact CE1-CG 4.2Å; F215-L275 HydrophobicContact CZ-CD1 4.03Å; F215-L275 HydrophobicContact CZ-CD2 4.03Å; F215-L275 HydrophobicContact CZ-CG 4.36Å; A219-L275 HydrophobicContact CB-CD2 4.37Å; I237-L275 HydrophobicContact CD1-CD2 4.08Å; V241-L275 HydrophobicContact CG2-CD1 3.96Å; V241-L275 HydrophobicContact CG2-CD2 3.95Å; F248-L275 HydrophobicContact CE2-CD1 4.07Å; A271-L275 WeakPolarHBondContact O-CG 3.4Å; A271-L275 PolarHBondContact O-N 3.2Å; V272-L275 PolarHBondContact O-N 3.45Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 2.86Å; L275-F279 HydrophobicContact CD2-CD2 3.84Å; L275-F279 HydrophobicContact CD2-CE2 4.38Å; L275-F279 CarbonylContact O-C 3.57Å; L275-F279 VanDerWaalsContact O-CA 3.28Å; L275-F279 WeakPolarHBondContact O-CA 3.46Å; L275-F279 PolarHBondContact O-N 2.98Å; L275-M283 HydrophobicContact CB-CE 4.15Å; L275-M283 HydrophobicContact CB-CG 3.82Å; L275-M283 HydrophobicContact CB-SD 3.67Å; L275-M283 HydrophobicContact CD1-CE 4.41Å; L275-M283 HydrophobicContact CD1-SD 3.91Å; L275-M283 HydrophobicContact CG-SD 4.43Å
276V93.7Very high93.4Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-69-43.4176165.90000111.1V272 T273 A274 P280 M283 M287 F339 A342 L343 F349V272-V276 HydrophobicContact CG1-CG2 4.43Å; V272-V276 WeakPolarHBondContact O-CG2 3.31Å; V272-V276 PolarHBondContact O-N 2.82Å; T273-V276 PolarHBondContact O-N 3.1Å; T273-V276 VanDerWaalsContact O-N 3.14Å; A274-V276 VanDerWaalsContact C-N 3.33Å; A274-V276 PolarHBondContact O-N 3.18Å; V276-P280 WeakPolarHBondContact O-CB 3.39Å; V276-M283 HydrophobicContact CG2-CB 4.23Å; V276-M283 HydrophobicContact CG2-CE 4.33Å; V276-M283 HydrophobicContact CG2-CG 4.26Å; V276-M287 HydrophobicContact CG2-CE 4.32Å; V276-M287 HydrophobicContact CG2-SD 3.67Å; V276-F339 HydrophobicContact CG2-CE2 4.18Å; V276-A342 HydrophobicContact CG1-CB 4.26Å; V276-L343 HydrophobicContact CG1-CD2 3.89Å; V276-F349 HydrophobicContact CG1-CD2 3.91Å; V276-F349 HydrophobicContact CG1-CE2 3.83Å
277K91.7Very high93.3Very high90 Ų9028.1 Ų28.139%0.39114%0.144SC..Hα-helixtrans-64-48.8175.9-69.8-164.8176.8-139.90111.1T273 A274 A342 E345T273-K277 WeakPolarHBondContact O-CG 3.26Å; T273-K277 PolarHBondContact O-N 2.85Å; A274-K277 PolarHBondContact O-N 2.99Å; K277-A342 HydrophobicContact CD-CB 4.17Å; K277-A342 VanDerWaalsContact CE-CB 3.48Å; K277-A342 HydrophobicContact CG-CB 3.59Å; K277-E345 VanDerWaalsContact CE-OE2 3.27Å; K277-E345 WeakPolarHBondContact CE-OE2 3.49Å; K277-E345 IonicContact NZ-OE1 2.72Å; K277-E345 PolarHBondContact NZ-OE1 3.4Å; K277-E345 VanDerWaalsContact NZ-OE1 3.11Å; K277-E345 IonicContact NZ-OE2 3.14Å; K277-E345 PolarHBondContact NZ-OE2 3.08Å
278N90.7Very high93.1Very high37 Ų3734.2 Ų34.220%0.19817%0.173CC..Hα-helixtrans-87.5-35.1-169.1-63.1-20.5000113.8H220 C223 A274 P280H220-N278 PolarHBondContact CD2-ND2 3.09Å; C223-N278 HydrophobicContact CB-CB 3.76Å; C223-N278 WeakPolarHBondContact SG-CB 3.26Å; A274-N278 WeakPolarHBondContact O-CB 3.44Å; A274-N278 PolarHBondContact O-N 3.21Å; A274-N278 PolarHBondContact O-ND2 3.41Å; A274-N278 VanDerWaalsContact O-ND2 3.14Å; N278-P280 VanDerWaalsContact C-CD 3.5Å
279F90.5Very high92.9Very high15 Ų1539.9 Ų39.97%0.06620%0.199CC..  trans-134.553.8-172.4-51.4-66.6000113C223 A233 I237 F238 L275 K281 H282 M283C223-F279 HydrophobicContact CB-CE1 4.4Å; C223-F279 HydrophobicContact CB-CE2 4.39Å; C223-F279 HydrophobicContact CB-CZ 3.82Å; A233-F279 HydrophobicContact CB-CE1 3.71Å; A233-F279 HydrophobicContact CB-CZ 4.27Å; I237-F279 HydrophobicContact CD1-CD2 4.28Å; I237-F279 HydrophobicContact CD1-CE2 3.63Å; I237-F279 HydrophobicContact CD1-CZ 4.31Å; I237-F279 HydrophobicContact CG2-CE1 4.34Å; I237-F279 HydrophobicContact CG2-CE2 4.07Å; I237-F279 HydrophobicContact CG2-CZ 3.9Å; F238-F279 HydrophobicContact CE1-CB 4.37Å; F238-F279 AromaticContact CE1-CD1 3.59Å; F238-F279 HydrophobicContact CE1-CD1 3.59Å; F238-F279 HydrophobicContact CE1-CE1 4.04Å; F238-F279 AromaticContact CE1-CG 3.98Å; F238-F279 HydrophobicContact CE1-CG 3.98Å; F238-F279 AromaticContact CZ-CD1 3.94Å; F238-F279 HydrophobicContact CZ-CD1 3.94Å; F238-F279 HydrophobicContact CZ-CE1 4.35Å; L275-F279 HydrophobicContact CD2-CD2 3.84Å; L275-F279 HydrophobicContact CD2-CE2 4.38Å; L275-F279 CarbonylContact O-C 3.57Å; L275-F279 VanDerWaalsContact O-CA 3.28Å; L275-F279 WeakPolarHBondContact O-CA 3.46Å; L275-F279 PolarHBondContact O-N 2.98Å; F279-K281 VanDerWaalsContact C-N 3.28Å; F279-K281 PolarHBondContact O-N 3.17Å; F279-K281 VanDerWaalsContact O-N 3.12Å; F279-H282 HydrophobicContact CB-CB 4.46Å; F279-H282 PolarHBondContact O-N 2.99Å; F279-M283 PolarHBondContact O-N 2.88Å
280P90.2Very high92.8Very high25 Ų2539.7 Ų39.716%0.16220%0.198CC..Hα-helixtrans-58.8-34.7-170.424-36.5000113.9V276 N278 H282 M283 V284 N346 F349V276-P280 WeakPolarHBondContact O-CB 3.39Å; N278-P280 VanDerWaalsContact C-CD 3.5Å; P280-H282 VanDerWaalsContact C-N 3.32Å; P280-H282 PolarHBondContact O-N 3.03Å; P280-M283 PolarHBondContact O-N 2.75Å; P280-V284 VanDerWaalsContact O-CG2 3.27Å; P280-V284 WeakPolarHBondContact O-CG2 3.2Å; P280-V284 PolarHBondContact O-N 3.28Å; P280-N346 WeakPolarHBondContact CB-ND2 3.34Å; P280-N346 VanDerWaalsContact CG-ND2 3.3Å; P280-N346 WeakPolarHBondContact CG-ND2 3.37Å; P280-F349 HydrophobicContact CB-CE2 3.95Å
281K89Confident92.7Very high95 Ų9538.5 Ų38.541%0.41320%0.195SC..Hα-helixtrans-61.7-40.4179.2-53-161.2179.2-177.50111.8F279 M283 W951F279-K281 VanDerWaalsContact C-N 3.28Å; F279-K281 PolarHBondContact O-N 3.17Å; F279-K281 VanDerWaalsContact O-N 3.12Å; K281-M283 VanDerWaalsContact C-N 3.33Å; K281-W951 HydrophobicContact CD-CG 4.49Å; K281-W951 VanDerWaalsContact NZ-CG 3.27Å; K281-W951 VanDerWaalsContact NZ-NE1 3.15Å
282H88.5Confident92.6Very high74 Ų7441.6 Ų41.634%0.34322%0.215SC..Hα-helixtrans-75.5-25-179.4-69.3-74.8000112.4F238 F279 P280F238-H282 AromaticContact CD1-CD2 3.97Å; F238-H282 AromaticContact CD2-CE1 3.79Å; F238-H282 AromaticContact CD2-NE2 3.64Å; F238-H282 AromaticContact CE1-CD2 3.4Å; F238-H282 VanDerWaalsContact CE1-CD2 3.4Å; F238-H282 WeakPolarHBondContact CE1-CD2 3.43Å; F238-H282 AromaticContact CE1-NE2 3.62Å; F238-H282 AromaticContact CE2-CD2 3.89Å; F238-H282 AromaticContact CE2-CE1 3.8Å; F238-H282 AromaticContact CE2-NE2 3.17Å; F238-H282 WeakPolarHBondContact CE2-NE2 2.89Å; F238-H282 AromaticContact CZ-CD2 3.37Å; F238-H282 WeakPolarHBondContact CZ-CD2 3.33Å; F238-H282 AromaticContact CZ-NE2 3.17Å; F238-H282 WeakPolarHBondContact CZ-NE2 3.45Å; F279-H282 HydrophobicContact CB-CB 4.46Å; F279-H282 PolarHBondContact O-N 2.99Å; P280-H282 VanDerWaalsContact C-N 3.32Å; P280-H282 PolarHBondContact O-N 3.03Å
283M92.3Very high92.5Very high0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-81.9-23.9-179.7-69.2-58.4-70.500113.9T245 V272 L275 V276 F279 P280 K281 S285 S286 M287 I290T245-M283 HydrophobicContact CG2-CE 3.91Å; T245-M283 HydrophobicContact CG2-SD 4.18Å; V272-M283 HydrophobicContact CG1-CE 4.1Å; L275-M283 HydrophobicContact CB-CE 4.15Å; L275-M283 HydrophobicContact CB-CG 3.82Å; L275-M283 HydrophobicContact CB-SD 3.67Å; L275-M283 HydrophobicContact CD1-CE 4.41Å; L275-M283 HydrophobicContact CD1-SD 3.91Å; L275-M283 HydrophobicContact CG-SD 4.43Å; V276-M283 HydrophobicContact CG2-CB 4.23Å; V276-M283 HydrophobicContact CG2-CE 4.33Å; V276-M283 HydrophobicContact CG2-CG 4.26Å; F279-M283 PolarHBondContact O-N 2.88Å; P280-M283 PolarHBondContact O-N 2.75Å; K281-M283 VanDerWaalsContact C-N 3.33Å; M283-S285 VanDerWaalsContact C-N 3.29Å; M283-S285 PolarHBondContact O-N 3.24Å; M283-S285 VanDerWaalsContact O-N 3.09Å; M283-S286 PolarHBondContact O-N 3.03Å; M283-M287 HydrophobicContact CB-CG 4.21Å; M283-M287 HydrophobicContact CB-SD 4.49Å; M283-M287 HydrophobicContact CE-SD 4.42Å; M283-M287 VanDerWaalsContact O-CG 3.27Å; M283-M287 WeakPolarHBondContact O-CG 3.35Å; M283-M287 PolarHBondContact O-N 3.2Å; M283-I290 HydrophobicContact CE-CD1 3.75Å
284V91.1Very high92.5Very high63 Ų6342.5 Ų42.538%0.38222%0.22SC..Hα-helixtrans-46.9-46.3-172.7178.90000114P280 M287 K348 F349P280-V284 VanDerWaalsContact O-CG2 3.27Å; P280-V284 WeakPolarHBondContact O-CG2 3.2Å; P280-V284 PolarHBondContact O-N 3.28Å; V284-M287 PolarHBondContact O-N 3.22Å; V284-K348 HydrophobicContact CG2-CD 4.37Å; V284-F349 HydrophobicContact CG2-CE1 4.26Å; V284-F349 HydrophobicContact CG2-CZ 4.17Å
285S90.4Very high92.5Very high71 Ų7146.1 Ų46.150%0.49723%0.233SC..Hα-helixtrans-65.9-45-178.953.30000111.9M283 M287M283-S285 VanDerWaalsContact C-N 3.29Å; M283-S285 PolarHBondContact O-N 3.24Å; M283-S285 VanDerWaalsContact O-N 3.09Å; S285-M287 VanDerWaalsContact C-N 3.35Å
286S92Very high92.5Very high6 Ų650 Ų504%0.04225%0.254CS..Hα-helixtrans-70.4-29.3178.6-61.40000113T245 M283 Q288 Q289 I290T245-S286 VanDerWaalsContact CG2-OG 3.3Å; T245-S286 WeakPolarHBondContact CG2-OG 3.32Å; M283-S286 PolarHBondContact O-N 3.03Å; S286-Q288 PolarHBondContact O-N 3.29Å; S286-Q288 VanDerWaalsContact O-N 3.15Å; S286-Q289 PolarHBondContact O-N 2.8Å; S286-I290 WeakPolarHBondContact O-CG1 3.39Å; S286-I290 PolarHBondContact O-N 3.43Å; S286-I290 VanDerWaalsContact O-N 3.09Å
287M92Very high92.4Very high5 Ų551 Ų513%0.02526%0.26CS..Hα-helixtrans-58.5-28.9178-71.4-51.3-67.800113.1V276 M283 V284 S285 Q289 I290 L291 F339 L343 F349V276-M287 HydrophobicContact CG2-CE 4.32Å; V276-M287 HydrophobicContact CG2-SD 3.67Å; M283-M287 HydrophobicContact CB-CG 4.21Å; M283-M287 HydrophobicContact CB-SD 4.49Å; M283-M287 HydrophobicContact CE-SD 4.42Å; M283-M287 VanDerWaalsContact O-CG 3.27Å; M283-M287 WeakPolarHBondContact O-CG 3.35Å; M283-M287 PolarHBondContact O-N 3.2Å; V284-M287 PolarHBondContact O-N 3.22Å; S285-M287 VanDerWaalsContact C-N 3.35Å; M287-Q289 PolarHBondContact O-N 3.31Å; M287-I290 PolarHBondContact O-N 3.46Å; M287-I290 HydrophobicContact SD-CB 4.42Å; M287-I290 HydrophobicContact SD-CD1 4.18Å; M287-I290 HydrophobicContact SD-CG2 4.48Å; M287-L291 HydrophobicContact CB-CD1 4.46Å; M287-L291 HydrophobicContact CE-CD1 4.33Å; M287-L291 HydrophobicContact CE-CD2 3.57Å; M287-L291 HydrophobicContact CE-CG 3.72Å; M287-L291 WeakPolarHBondContact O-CB 3.43Å; M287-L291 VanDerWaalsContact O-CG 3.29Å; M287-L291 WeakPolarHBondContact O-CG 3.42Å; M287-L291 PolarHBondContact O-N 2.9Å; M287-F339 HydrophobicContact CE-CE1 4.47Å; M287-F339 HydrophobicContact CE-CE2 3.87Å; M287-F339 HydrophobicContact CE-CZ 3.41Å; M287-F339 VanDerWaalsContact CE-CZ 3.41Å; M287-F339 HydrophobicContact SD-CE2 4.49Å; M287-F339 HydrophobicContact SD-CZ 4.43Å; M287-L343 HydrophobicContact CE-CD2 3.63Å; M287-F349 HydrophobicContact CB-CE1 4.17Å; M287-F349 HydrophobicContact CG-CD1 4.38Å; M287-F349 HydrophobicContact CG-CE1 3.61Å; M287-F349 HydrophobicContact CG-CZ 3.8Å
288Q91.4Very high92.5Very high156 Ų15647 Ų4773%0.72924%0.243SC*.Hα-helixtrans-60.3-28.8175.5-63-173.4-4.400112.9S286 P292S286-Q288 PolarHBondContact O-N 3.29Å; S286-Q288 VanDerWaalsContact O-N 3.15Å; Q288-P292 WeakPolarHBondContact O-CD 3.48Å
289Q93.7Very high92.6Very high118 Ų11846.2 Ų46.255%0.55124%0.24SC*.Hα-helixtrans-93.7-36.8177.5-61.6-17751.300112V249 S286 M287 P292 I293V249-Q289 HydrophobicContact CG1-CB 4.15Å; V249-Q289 HydrophobicContact CG2-CB 4.32Å; S286-Q289 PolarHBondContact O-N 2.8Å; M287-Q289 PolarHBondContact O-N 3.31Å; Q289-P292 WeakPolarHBondContact O-CD 3.38Å; Q289-I293 WeakPolarHBondContact O-CD1 3.44Å; Q289-I293 VanDerWaalsContact O-CG1 3.32Å; Q289-I293 WeakPolarHBondContact O-CG1 3.22Å
290I95Very high92.6Very high0 Ų052.4 Ų52.40%027%0.268CS..Hα-helixtrans-69-47.1-177.1-65.5168.4000111.3T245 V249 V272 M283 S286 M287 I293 V294 F339T245-I290 HydrophobicContact CG2-CD1 4.04Å; V249-I290 HydrophobicContact CG2-CD1 4.29Å; V249-I290 HydrophobicContact CG2-CG1 3.59Å; V272-I290 HydrophobicContact CG1-CD1 3.99Å; V272-I290 HydrophobicContact CG1-CG2 4.02Å; V272-I290 HydrophobicContact CG2-CD1 4.41Å; M283-I290 HydrophobicContact CE-CD1 3.75Å; S286-I290 WeakPolarHBondContact O-CG1 3.39Å; S286-I290 PolarHBondContact O-N 3.43Å; S286-I290 VanDerWaalsContact O-N 3.09Å; M287-I290 PolarHBondContact O-N 3.46Å; M287-I290 HydrophobicContact SD-CB 4.42Å; M287-I290 HydrophobicContact SD-CD1 4.18Å; M287-I290 HydrophobicContact SD-CG2 4.48Å; I290-I293 WeakPolarHBondContact O-CB 3.26Å; I290-I293 PolarHBondContact O-N 3.37Å; I290-V294 HydrophobicContact CG2-CG2 3.79Å; I290-V294 WeakPolarHBondContact O-CG2 3.3Å; I290-V294 PolarHBondContact O-N 2.99Å; I290-F339 HydrophobicContact CG2-CZ 4.02Å
291L94.8Very high92.6Very high43 Ų4352.1 Ų52.123%0.22527%0.267CS..Hα-helixtrans-56.6-47.9-173.1-71.4171.4000113.4M287 I293 V294 W295 F339 L343 T352M287-L291 HydrophobicContact CB-CD1 4.46Å; M287-L291 HydrophobicContact CE-CD1 4.33Å; M287-L291 HydrophobicContact CE-CD2 3.57Å; M287-L291 HydrophobicContact CE-CG 3.72Å; M287-L291 WeakPolarHBondContact O-CB 3.43Å; M287-L291 VanDerWaalsContact O-CG 3.29Å; M287-L291 WeakPolarHBondContact O-CG 3.42Å; M287-L291 PolarHBondContact O-N 2.9Å; L291-I293 VanDerWaalsContact C-N 3.27Å; L291-I293 PolarHBondContact O-N 3.23Å; L291-V294 PolarHBondContact O-N 3.44Å; L291-W295 WeakPolarHBondContact O-CB 3.43Å; L291-W295 PolarHBondContact O-N 3.4Å; L291-F339 HydrophobicContact CD2-CE1 4.02Å; L291-F339 HydrophobicContact CD2-CZ 4.08Å; L291-L343 HydrophobicContact CD2-CD1 3.73Å; L291-T352 HydrophobicContact CD1-CG2 3.69Å
292P95.3Very high92.8Very high66 Ų6647.7 Ų47.743%0.42925%0.248SC..Hα-helixtrans-60.8-34.5176.3-24.334.8000113.7Q288 Q289 N296Q288-P292 WeakPolarHBondContact O-CD 3.48Å; Q289-P292 WeakPolarHBondContact O-CD 3.38Å; P292-N296 WeakPolarHBondContact O-CB 3.35Å; P292-N296 PolarHBondContact O-N 2.99Å; P292-N296 PolarHBondContact O-ND2 3.15Å; P292-N296 PolarHBondContact O-OD1 3.19Å
293I95.3Very high92.9Very high18 Ų1846.6 Ų46.69%0.09225%0.252CS..Hα-helixtrans-69.2-51.5-179.5-59.4161.1000109.8V249 L252 Q253 Q289 I290 L291 W295 N296 T297V249-I293 HydrophobicContact CG1-CD1 3.84Å; L252-I293 HydrophobicContact CB-CG2 3.7Å; Q253-I293 HydrophobicContact CG-CD1 3.64Å; Q253-I293 HydrophobicContact CG-CG1 3.97Å; Q253-I293 HydrophobicContact CG-CG2 4.38Å; Q289-I293 WeakPolarHBondContact O-CD1 3.44Å; Q289-I293 VanDerWaalsContact O-CG1 3.32Å; Q289-I293 WeakPolarHBondContact O-CG1 3.22Å; I290-I293 WeakPolarHBondContact O-CB 3.26Å; I290-I293 PolarHBondContact O-N 3.37Å; L291-I293 VanDerWaalsContact C-N 3.27Å; L291-I293 PolarHBondContact O-N 3.23Å; I293-W295 VanDerWaalsContact C-N 3.28Å; I293-W295 PolarHBondContact O-N 3.04Å; I293-N296 PolarHBondContact O-N 3.01Å; I293-T297 PolarHBondContact O-N 3.09Å; I293-T297 PolarHBondContact O-OG1 3.29Å; I293-T297 VanDerWaalsContact O-OG1 3.13Å
294V95.2Very high92.9Very high9 Ų949.1 Ų49.16%0.05526%0.263CS..Hα-helixtrans-61.4-40.7179.1179.40000110.7L269 I290 L291 T297 L298 I336 F339L269-V294 HydrophobicContact CD1-CG1 4.41Å; L269-V294 HydrophobicContact CD1-CG2 3.8Å; I290-V294 HydrophobicContact CG2-CG2 3.79Å; I290-V294 WeakPolarHBondContact O-CG2 3.3Å; I290-V294 PolarHBondContact O-N 2.99Å; L291-V294 PolarHBondContact O-N 3.44Å; V294-T297 PolarHBondContact O-N 3.23Å; V294-L298 PolarHBondContact O-N 3.27Å; V294-I336 HydrophobicContact CG1-CG1 4.17Å; V294-I336 HydrophobicContact CG1-CG2 4.02Å; V294-F339 HydrophobicContact CB-CE1 4.16Å; V294-F339 HydrophobicContact CG1-CD1 3.8Å; V294-F339 HydrophobicContact CG1-CE1 3.87Å; V294-F339 HydrophobicContact CG2-CE1 4.14Å; V294-F339 HydrophobicContact CG2-CZ 4.46Å
295W95.2Very high93Very high77 Ų7746.2 Ų46.229%0.29225%0.245SC..Hα-helixtrans-60.6-45.5174.7-177.9-96.2000112.6L291 I293 T297 L298 T299 A356 E359 L360 Y363L291-W295 WeakPolarHBondContact O-CB 3.43Å; L291-W295 PolarHBondContact O-N 3.4Å; I293-W295 VanDerWaalsContact C-N 3.28Å; I293-W295 PolarHBondContact O-N 3.04Å; W295-T297 VanDerWaalsContact C-N 3.31Å; W295-T297 PolarHBondContact O-N 2.84Å; W295-L298 HydrophobicContact CE3-CD2 4.4Å; W295-L298 HydrophobicContact CZ3-CD2 4.31Å; W295-L298 PolarHBondContact O-N 2.71Å; W295-T299 HydrophobicContact CD2-CG2 4.18Å; W295-T299 HydrophobicContact CG-CG2 4.47Å; W295-T299 HydrophobicContact CZ2-CG2 3.86Å; W295-T299 WeakPolarHBondContact O-CG2 3.25Å; W295-T299 PolarHBondContact O-N 3.23Å; W295-T299 PolarHBondContact O-OG1 3.35Å; W295-A356 HydrophobicContact CZ3-CB 4.38Å; W295-E359 HydrophobicContact CH2-CB 3.65Å; W295-E359 HydrophobicContact CZ2-CB 3.64Å; W295-L360 HydrophobicContact CH2-CB 4.32Å; W295-L360 HydrophobicContact CZ3-CB 4.19Å; W295-L360 HydrophobicContact CZ3-CD1 4.28Å; W295-Y363 HydrophobicContact CH2-CD2 4.31Å; W295-Y363 HydrophobicContact CZ2-CD2 4.28Å; W295-Y363 HydrophobicContact CZ2-CE2 4.21Å
296N93.6Very high93.2Very high82 Ų8244.2 Ų44.244%0.43923%0.23SC..Hα-helixtrans-62.5-40.6176.6-70.2-16.7000111.2P292 I293 T299 E300P292-N296 WeakPolarHBondContact O-CB 3.35Å; P292-N296 PolarHBondContact O-N 2.99Å; P292-N296 PolarHBondContact O-ND2 3.15Å; P292-N296 PolarHBondContact O-OD1 3.19Å; I293-N296 PolarHBondContact O-N 3.01Å; N296-T299 WeakPolarHBondContact CA-OG1 3.35Å; N296-T299 PolarHBondContact O-N 3.04Å; N296-T299 PolarHBondContact O-OG1 2.91Å; N296-E300 VanDerWaalsContact O-CB 3.27Å; N296-E300 WeakPolarHBondContact O-CB 3.28Å; N296-E300 VanDerWaalsContact O-CG 3.31Å; N296-E300 WeakPolarHBondContact O-CG 3.27Å; N296-E300 PolarHBondContact O-N 3.11Å
297T92.4Very high93.2Very high22 Ų2248.9 Ų48.914%0.13525%0.247CC..Hα-helixtrans-62-45175-54.40000111.9I293 V294 W295 T299 S301 L332 I336I293-T297 PolarHBondContact O-N 3.09Å; I293-T297 PolarHBondContact O-OG1 3.29Å; I293-T297 VanDerWaalsContact O-OG1 3.13Å; V294-T297 PolarHBondContact O-N 3.23Å; W295-T297 VanDerWaalsContact C-N 3.31Å; W295-T297 PolarHBondContact O-N 2.84Å; T297-T299 PolarHBondContact O-N 3.21Å; T297-S301 WeakPolarHBondContact O-CB 3.34Å; T297-S301 PolarHBondContact O-N 3.39Å; T297-S301 PolarHBondContact O-OG 3.14Å; T297-L332 HydrophobicContact CG2-CD2 3.74Å; T297-L332 HydrophobicContact CG2-CG 4.31Å; T297-I336 HydrophobicContact CG2-CD1 3.86Å
298L94Very high93.2Very high5 Ų548.8 Ų48.83%0.02625%0.246CC..Hα-helixtrans-59.6-46.3176.1-179.565.3000111.7V294 W295 A302 I336 F337 L360 Y367V294-L298 PolarHBondContact O-N 3.27Å; W295-L298 HydrophobicContact CE3-CD2 4.4Å; W295-L298 HydrophobicContact CZ3-CD2 4.31Å; W295-L298 PolarHBondContact O-N 2.71Å; L298-A302 PolarHBondContact O-N 3.19Å; L298-I336 HydrophobicContact CB-CD1 4.46Å; L298-I336 HydrophobicContact CB-CG2 4.19Å; L298-I336 HydrophobicContact CD1-CG2 3.94Å; L298-I336 HydrophobicContact CD2-CG2 4.45Å; L298-I336 HydrophobicContact CG-CG2 4.41Å; L298-F337 HydrophobicContact CD1-CE1 3.96Å; L298-L360 HydrophobicContact CD2-CD1 3.97Å; L298-Y367 HydrophobicContact CD1-CD2 4.39Å; L298-Y367 HydrophobicContact CD1-CE2 3.55Å; L298-Y367 HydrophobicContact CG-CE2 4.41Å; L298-Y367 PolarHBondContact O-OH 3.02Å
299T93.5Very high93.2Very high21 Ų2143 Ų4313%0.12922%0.219CC..Hα-helixtrans-77.5-41.4-172.554.50000113.5W295 N296 T297 S301 Y363W295-T299 HydrophobicContact CD2-CG2 4.18Å; W295-T299 HydrophobicContact CG-CG2 4.47Å; W295-T299 HydrophobicContact CZ2-CG2 3.86Å; W295-T299 WeakPolarHBondContact O-CG2 3.25Å; W295-T299 PolarHBondContact O-N 3.23Å; W295-T299 PolarHBondContact O-OG1 3.35Å; N296-T299 WeakPolarHBondContact CA-OG1 3.35Å; N296-T299 PolarHBondContact O-N 3.04Å; N296-T299 PolarHBondContact O-OG1 2.91Å; T297-T299 PolarHBondContact O-N 3.21Å; T299-S301 VanDerWaalsContact C-N 3.31Å; T299-Y363 HydrophobicContact CG2-CD1 4.2Å; T299-Y363 HydrophobicContact CG2-CD2 3.66Å; T299-Y363 HydrophobicContact CG2-CE1 3.83Å; T299-Y363 HydrophobicContact CG2-CE2 3.27Å; T299-Y363 HydrophobicContact CG2-CG 4.13Å
300E89.6Confident93.3Very high144 Ų14437.3 Ų37.367%0.67319%0.193SC*.Hα-helixtrans-65.2-38.9176.7-72.6179.5175.500111N296N296-E300 VanDerWaalsContact O-CB 3.27Å; N296-E300 WeakPolarHBondContact O-CB 3.28Å; N296-E300 VanDerWaalsContact O-CG 3.31Å; N296-E300 WeakPolarHBondContact O-CG 3.27Å; N296-E300 PolarHBondContact O-N 3.11Å
301S89.8Confident93.2Very high20 Ų2038.6 Ų38.614%0.1420%0.2CC..Hα-helixtrans-82.6-13.5-175.7-51.70000114.5T297 T299 A303 F304 Y305 F329T297-S301 WeakPolarHBondContact O-CB 3.34Å; T297-S301 PolarHBondContact O-N 3.39Å; T297-S301 PolarHBondContact O-OG 3.14Å; T299-S301 VanDerWaalsContact C-N 3.31Å; S301-A303 VanDerWaalsContact C-N 3.32Å; S301-A303 PolarHBondContact O-N 3.41Å; S301-F304 WeakPolarHBondContact O-CB 3.45Å; S301-F304 PolarHBondContact O-N 3.45Å; S301-Y305 WeakPolarHBondContact O-CB 3.37Å; S301-Y305 PolarHBondContact O-N 3.3Å; S301-F329 VanDerWaalsContact OG-CE2 3.22Å; S301-F329 WeakPolarHBondContact OG-CE2 3.4Å
302A93.4Very high92.9Very high1 Ų141.5 Ų41.51%0.00821%0.208CC..Hα-helixtrans-60.5-43.1172.600000111.5L298 F304 Y305 V306 Y363 L366 Y367L298-A302 PolarHBondContact O-N 3.19Å; A302-F304 VanDerWaalsContact C-N 3.29Å; A302-F304 PolarHBondContact O-N 3.4Å; A302-Y305 PolarHBondContact O-N 2.79Å; A302-V306 VanDerWaalsContact O-CG2 3.3Å; A302-V306 WeakPolarHBondContact O-CG2 3.31Å; A302-V306 PolarHBondContact O-N 3.03Å; A302-Y363 HydrophobicContact CB-CD1 3.68Å; A302-Y363 HydrophobicContact CB-CE1 4.16Å; A302-L366 HydrophobicContact CB-CD1 4.09Å; A302-Y367 WeakPolarHBondContact CA-OH 3.46Å; A302-Y367 HydrophobicContact CB-CE2 3.89Å; A302-Y367 PolarHBondContact N-OH 3.11Å; A302-Y367 VanDerWaalsContact N-OH 3.1Å
303A91.7Very high92.4Very high52 Ų5242.5 Ų42.543%0.4321%0.213SC..Hα-helixtrans-69.2-29.5176.700000112.6S301 R307S301-A303 VanDerWaalsContact C-N 3.32Å; S301-A303 PolarHBondContact O-N 3.41Å; A303-R307 WeakPolarHBondContact O-CG 3.31Å; A303-R307 PolarHBondContact O-N 2.99Å; A303-R307 PolarHBondContact O-NH1 2.91Å; A303-R307 VanDerWaalsContact O-NH1 3.13Å
304F91.1Very high92Very high53 Ų5345.8 Ų45.823%0.23223%0.228CC..Hα-helixtrans-68.8-53173.9-179.7-103.5000110.6S301 A302 V306 R307 T308 V316 F329S301-F304 WeakPolarHBondContact O-CB 3.45Å; S301-F304 PolarHBondContact O-N 3.45Å; A302-F304 VanDerWaalsContact C-N 3.29Å; A302-F304 PolarHBondContact O-N 3.4Å; F304-V306 VanDerWaalsContact C-N 3.27Å; F304-V306 PolarHBondContact O-N 3.07Å; F304-R307 WeakPolarHBondContact O-CA 3.34Å; F304-R307 PolarHBondContact O-N 3.02Å; F304-T308 HydrophobicContact CD1-CG2 4.37Å; F304-T308 HydrophobicContact CD2-CG2 3.96Å; F304-T308 HydrophobicContact CE1-CG2 4.11Å; F304-T308 HydrophobicContact CE2-CG2 3.68Å; F304-T308 HydrophobicContact CG-CG2 4.31Å; F304-T308 HydrophobicContact CZ-CG2 3.78Å; F304-T308 WeakPolarHBondContact O-CG2 3.4Å; F304-T308 PolarHBondContact O-N 3.01Å; F304-T308 PolarHBondContact O-OG1 3.49Å; F304-V316 HydrophobicContact CE1-CG2 4.35Å; F304-V316 HydrophobicContact CE2-CG2 4.11Å; F304-V316 HydrophobicContact CZ-CG1 4.11Å; F304-V316 HydrophobicContact CZ-CG2 3.54Å; F304-F329 AromaticContact CD1-CD1 3.91Å; F304-F329 HydrophobicContact CD1-CD1 3.91Å; F304-F329 HydrophobicContact CD1-CE1 4.45Å; F304-F329 HydrophobicContact CD1-CG 4.06Å; F304-F329 HydrophobicContact CE1-CB 4.07Å; F304-F329 HydrophobicContact CE1-CD1 4.2Å; F304-F329 HydrophobicContact CE1-CG 4.11Å
305Y93.6Very high91.3Very high2 Ų254.9 Ų54.91%0.00827%0.27CS..Hα-helixtrans-51.5-44.1174.9180-107.9000112.7S301 A302 R307 T308 E309 V310 F329 Y367 T371 V398S301-Y305 WeakPolarHBondContact O-CB 3.37Å; S301-Y305 PolarHBondContact O-N 3.3Å; A302-Y305 PolarHBondContact O-N 2.79Å; Y305-R307 VanDerWaalsContact C-N 3.29Å; Y305-R307 PolarHBondContact O-N 2.88Å; Y305-T308 PolarHBondContact O-N 3.47Å; Y305-E309 HydrophobicContact CD2-CB 3.73Å; Y305-E309 HydrophobicContact CD2-CG 3.56Å; Y305-E309 HydrophobicContact CE2-CB 3.57Å; Y305-E309 HydrophobicContact CE2-CG 3.68Å; Y305-E309 PolarHBondContact O-N 3.43Å; Y305-V310 HydrophobicContact CD1-CG2 3.67Å; Y305-V310 HydrophobicContact CE1-CG2 3.39Å; Y305-V310 PolarHBondContact O-N 3.48Å; Y305-F329 HydrophobicContact CD2-CE1 4.44Å; Y305-Y367 AromaticContact CD1-CD1 3.52Å; Y305-Y367 HydrophobicContact CD1-CD1 3.52Å; Y305-Y367 AromaticContact CD1-CE1 3.94Å; Y305-Y367 HydrophobicContact CD1-CE1 3.94Å; Y305-Y367 HydrophobicContact CD1-CG 4.5Å; Y305-Y367 HydrophobicContact CD2-CD1 4.48Å; Y305-Y367 AromaticContact CE1-CD1 3.89Å; Y305-Y367 HydrophobicContact CE1-CD1 3.89Å; Y305-Y367 AromaticContact CG-CD1 3.85Å; Y305-Y367 HydrophobicContact CG-CD1 3.85Å; Y305-Y367 AromaticContact CG-CE1 3.85Å; Y305-Y367 HydrophobicContact CG-CE1 3.85Å; Y305-T371 WeakPolarHBondContact OH-CG2 3.36Å; Y305-V398 HydrophobicContact CE1-CG1 4.19Å; Y305-V398 HydrophobicContact CE2-CB 3.97Å; Y305-V398 HydrophobicContact CE2-CG1 3.86Å; Y305-V398 HydrophobicContact CE2-CG2 4.15Å
306V94.2Very high90.5Very high28 Ų2854 Ų5417%0.1727%0.273CS..Iπ-helixtrans-64.5-33.7178.7171.60000112.3A302 F304 V310 N311A302-V306 VanDerWaalsContact O-CG2 3.3Å; A302-V306 WeakPolarHBondContact O-CG2 3.31Å; A302-V306 PolarHBondContact O-N 3.03Å; F304-V306 VanDerWaalsContact C-N 3.27Å; F304-V306 PolarHBondContact O-N 3.07Å; V306-V310 HydrophobicContact CG2-CG2 4.32Å; V306-N311 WeakPolarHBondContact CG1-ND2 3.43Å; V306-N311 VanDerWaalsContact O-CB 3.31Å; V306-N311 WeakPolarHBondContact O-CB 3.49Å; V306-N311 VanDerWaalsContact O-CG 3.29Å; V306-N311 PolarHBondContact O-N 3.43Å; V306-N311 PolarHBondContact O-ND2 3.2Å
307R92.7Very high89.7Confident104 Ų10459.4 Ų59.439%0.39230%0.296SS..Iπ-helixtrans-79.5-39.8178.4-72.6-165.8-53.7-85.22.3112.8A303 F304 Y305 Y312 T313 E314A303-R307 WeakPolarHBondContact O-CG 3.31Å; A303-R307 PolarHBondContact O-N 2.99Å; A303-R307 PolarHBondContact O-NH1 2.91Å; A303-R307 VanDerWaalsContact O-NH1 3.13Å; F304-R307 WeakPolarHBondContact O-CA 3.34Å; F304-R307 PolarHBondContact O-N 3.02Å; Y305-R307 VanDerWaalsContact C-N 3.29Å; Y305-R307 PolarHBondContact O-N 2.88Å; R307-Y312 PolarHBondContact O-N 3.01Å; R307-T313 WeakPolarHBondContact CA-OG1 3.46Å; R307-T313 WeakPolarHBondContact CB-OG1 3.43Å; R307-T313 PolarHBondContact O-N 3.23Å; R307-T313 PolarHBondContact O-OG1 3.44Å; R307-E314 IonicContact CZ-OE2 3.66Å; R307-E314 IonicContact NE-OE2 2.91Å; R307-E314 PolarHBondContact NE-OE2 2.96Å; R307-E314 VanDerWaalsContact NE-OE2 3.14Å; R307-E314 IonicContact NH2-OE2 3.37Å; R307-E314 PolarHBondContact O-N 3.2Å
308T91.2Very high89.2Confident3 Ų361.5 Ų61.52%0.01831%0.306CS..Iπ-helixtrans-88.4-53.9-171.3650000110.9F304 Y305 Y312 E314 V316F304-T308 HydrophobicContact CD1-CG2 4.37Å; F304-T308 HydrophobicContact CD2-CG2 3.96Å; F304-T308 HydrophobicContact CE1-CG2 4.11Å; F304-T308 HydrophobicContact CE2-CG2 3.68Å; F304-T308 HydrophobicContact CG-CG2 4.31Å; F304-T308 HydrophobicContact CZ-CG2 3.78Å; F304-T308 WeakPolarHBondContact O-CG2 3.4Å; F304-T308 PolarHBondContact O-N 3.01Å; F304-T308 PolarHBondContact O-OG1 3.49Å; Y305-T308 PolarHBondContact O-N 3.47Å; T308-Y312 WeakPolarHBondContact O-CA 3.42Å; T308-Y312 WeakPolarHBondContact O-CD1 3.36Å; T308-Y312 PolarHBondContact O-N 3.25Å; T308-E314 WeakPolarHBondContact CA-O 3.35Å; T308-E314 HydrophobicContact CG2-CB 4.13Å; T308-E314 HydrophobicContact CG2-CG 4.38Å; T308-V316 HydrophobicContact CG2-CG2 3.36Å
309E91.9Very high88.6Confident34 Ų3463.1 Ų63.116%0.15932%0.317CS..Iπ-helixtrans-92.9-47.2-173-52.3-41.2123.700112.6Y305 Y312 E372Y305-E309 HydrophobicContact CD2-CB 3.73Å; Y305-E309 HydrophobicContact CD2-CG 3.56Å; Y305-E309 HydrophobicContact CE2-CB 3.57Å; Y305-E309 HydrophobicContact CE2-CG 3.68Å; Y305-E309 PolarHBondContact O-N 3.43Å; E309-Y312 WeakPolarHBondContact O-CD1 3.34Å; E309-Y312 WeakPolarHBondContact O-CE1 3.47Å; E309-E372 PolarHBondContact O-N 3.23Å
310V94.7Very high88Confident0 Ų066 Ų660%034%0.335CS..Iπ-helixtrans-70.6-44.5-175-178.50000110.6Y305 V306 Q369 K445Y305-V310 HydrophobicContact CD1-CG2 3.67Å; Y305-V310 HydrophobicContact CE1-CG2 3.39Å; Y305-V310 PolarHBondContact O-N 3.48Å; V306-V310 HydrophobicContact CG2-CG2 4.32Å; V310-Q369 HydrophobicContact CG1-CB 3.78Å; V310-Q369 HydrophobicContact CG2-CB 4.18Å; V310-K445 HydrophobicContact CG1-CD 3.62Å; V310-K445 PolarHBondContact O-NZ 3.08Å
311N93.2Very high87.5Confident26 Ų2660.4 Ų60.414%0.13931%0.309CS..THydrogen-bonded Turntrans-111.8-7-172.2-62.6-37.3000115.1V306 T313 H442V306-N311 WeakPolarHBondContact CG1-ND2 3.43Å; V306-N311 VanDerWaalsContact O-CB 3.31Å; V306-N311 WeakPolarHBondContact O-CB 3.49Å; V306-N311 VanDerWaalsContact O-CG 3.29Å; V306-N311 PolarHBondContact O-N 3.43Å; V306-N311 PolarHBondContact O-ND2 3.2Å; N311-T313 HydrophobicContact CB-CG2 3.85Å; N311-T313 PolarHBondContact O-N 3.32Å; N311-T313 VanDerWaalsContact O-N 3.15Å; N311-H442 WeakPolarHBondContact OD1-CB 3.36Å; N311-H442 PolarHBondContact OD1-ND1 3.18Å
312Y88.8Confident86.6Confident104 Ų10462.3 Ų62.341%0.40832%0.322SS..  trans50.437.9-176.7-83.427.6000112.8R307 T308 E309 E372 K376R307-Y312 PolarHBondContact O-N 3.01Å; T308-Y312 WeakPolarHBondContact O-CA 3.42Å; T308-Y312 WeakPolarHBondContact O-CD1 3.36Å; T308-Y312 PolarHBondContact O-N 3.25Å; E309-Y312 WeakPolarHBondContact O-CD1 3.34Å; E309-Y312 WeakPolarHBondContact O-CE1 3.47Å; Y312-E372 HydrophobicContact CD1-CB 3.81Å; Y312-E372 HydrophobicContact CD1-CG 4.3Å; Y312-E372 HydrophobicContact CD2-CB 4.08Å; Y312-E372 HydrophobicContact CE1-CB 4.17Å; Y312-E372 HydrophobicContact CE2-CB 4.43Å; Y312-E372 HydrophobicContact CG-CB 3.78Å; Y312-E372 HydrophobicContact CG-CG 4.1Å; Y312-K376 VanDerWaalsContact CE2-NZ 3.3Å
313T86.1Confident85.6Confident87 Ų8765.7 Ų65.753%0.53434%0.34SS..  trans-86.9-15.2178.6560000113.4R307 N311R307-T313 WeakPolarHBondContact CA-OG1 3.46Å; R307-T313 WeakPolarHBondContact CB-OG1 3.43Å; R307-T313 PolarHBondContact O-N 3.23Å; R307-T313 PolarHBondContact O-OG1 3.44Å; N311-T313 HydrophobicContact CB-CG2 3.85Å; N311-T313 PolarHBondContact O-N 3.32Å; N311-T313 VanDerWaalsContact O-N 3.15Å
314E85.9Confident84.8Confident88 Ų8865.6 Ų65.641%0.41134%0.344SS..SBendtrans-144126.5-175.9-174.4170.7-17600108.2R307 T308R307-E314 IonicContact CZ-OE2 3.66Å; R307-E314 IonicContact NE-OE2 2.91Å; R307-E314 PolarHBondContact NE-OE2 2.96Å; R307-E314 VanDerWaalsContact NE-OE2 3.14Å; R307-E314 IonicContact NH2-OE2 3.37Å; R307-E314 PolarHBondContact O-N 3.2Å; T308-E314 WeakPolarHBondContact CA-O 3.35Å; T308-E314 HydrophobicContact CG2-CB 4.13Å; T308-E314 HydrophobicContact CG2-CG 4.38Å
315E79.7Confident84.4Confident200 Ų20068.9 Ų68.994%0.93536%0.361SS*.  trans-87.4140.4176-70.3180178.600109.9
316V78.6Confident83.9Confident57 Ų5772.5 Ų72.535%0.34538%0.383SS..  trans-122.4140.6-179.2-175.30000109.7F304 T308F304-V316 HydrophobicContact CE1-CG2 4.35Å; F304-V316 HydrophobicContact CE2-CG2 4.11Å; F304-V316 HydrophobicContact CZ-CG1 4.11Å; F304-V316 HydrophobicContact CZ-CG2 3.54Å; T308-V316 HydrophobicContact CG2-CG2 3.36Å
317E76.9Confident83.3Confident197 Ų19772 Ų7292%0.92138%0.379SS*.  trans-94.7101.8168.5-71.1-174.6175.300109.2
318D82.3Confident82.8Confident66 Ų6667.3 Ų67.335%0.35336%0.362SS..PPolyproline II helixtrans-72.7141.9178.6-69.7-58.4000112.5V320 V326 G328D318-V320 PolarHBondContact O-N 2.8Å; D318-V326 HydrophobicContact CB-CG1 3.35Å; D318-G328 VanDerWaalsContact OD1-CA 3.24Å; D318-G328 WeakPolarHBondContact OD1-CA 3.49Å
319P81.2Confident82.6Confident39 Ų3967.8 Ų67.825%0.25336%0.364SS..PPolyproline II helixtrans-76.5123.8-178.734.5-36.3000109.8R206 L327R206-P319 PolarHBondContact NH2-O 2.94Å; P319-L327 HydrophobicContact CG-CB 4.35Å; P319-L327 VanDerWaalsContact CG-O 3.23Å; P319-L327 WeakPolarHBondContact CG-O 3.18Å; P319-L327 WeakPolarHBondContact O-CB 3.48Å; P319-L327 PolarHBondContact O-N 3.39Å
320V80.6Confident82.5Confident82 Ų8269.3 Ų69.350%0.49737%0.372SS..BIsolated β-bridgetrans-93.7143.3177-175.10000110.6R206 D318 E325 V326R206-V320 VanDerWaalsContact NH2-C 3.33Å; R206-V320 PolarHBondContact NH2-O 2.75Å; D318-V320 PolarHBondContact O-N 2.8Å; V320-E325 CarbonylContact C-O 3.58Å; V320-E325 WeakPolarHBondContact CA-O 3.48Å; V320-V326 HydrophobicContact CG2-CG2 4.43Å
321D79.6Confident82.2Confident26 Ų2671.8 Ų71.814%0.13939%0.385CS..  trans-87.4-172.2179.3107.3-50.8000112.3D323 G324 E325 L327D321-D323 VanDerWaalsContact CG-N 3.33Å; D321-D323 WeakPolarHBondContact OD1-CA 3.31Å; D321-D323 PolarHBondContact OD1-N 2.96Å; D321-D323 PolarHBondContact OD2-N 3.38Å; D321-G324 PolarHBondContact OD1-N 2.92Å; D321-E325 PolarHBondContact N-O 3.05Å; D321-E325 PolarHBondContact OD1-N 3.32Å; D321-L327 HydrophobicContact CB-CD1 3.51Å; D321-L327 HydrophobicContact CB-CG 4.14Å
322S71.8Confident82.2Confident60 Ų6070.8 Ų70.842%0.4238%0.379SS..SBendtrans-77.3-22.5178.456.40000114.7R168R168-S322 PolarHBondContact NH1-OG 3.41Å
323D72.5Confident82.4Confident71 Ų7165.9 Ų65.938%0.3836%0.36SS..SBendtrans-84.9-15.6176.1-66.6-52.6000111.9Y130 R168 R210 D321Y130-D323 PolarHBondContact OH-OD1 3.34Å; R168-D323 IonicContact CZ-OD1 2.88Å; R168-D323 VanDerWaalsContact CZ-OD1 3.32Å; R168-D323 IonicContact CZ-OD2 2.94Å; R168-D323 IonicContact NH1-OD1 3.54Å; R168-D323 PolarHBondContact NH1-OD1 2.59Å; R168-D323 IonicContact NH1-OD2 2.8Å; R168-D323 PolarHBondContact NH1-OD2 3.36Å; R168-D323 IonicContact NH2-OD1 3.39Å; R168-D323 PolarHBondContact NH2-OD1 3.07Å; R168-D323 IonicContact NH2-OD2 4Å; R210-D323 IonicContact NH2-OD2 2.66Å; D321-D323 VanDerWaalsContact CG-N 3.33Å; D321-D323 WeakPolarHBondContact OD1-CA 3.31Å; D321-D323 PolarHBondContact OD1-N 2.96Å; D321-D323 PolarHBondContact OD2-N 3.38Å
324G75.1Confident82.8Confident50 Ų5062.9 Ų62.952%0.51534%0.34SS..SBendtrans101.68-179.600000113.1D321D321-G324 PolarHBondContact OD1-N 2.92Å
325E81.5Confident83.2Confident123 Ų12358.8 Ų58.858%0.57532%0.321SS*.  trans-74.3134.4177.1-63.1-175.7174.700110.3V320 D321 L327V320-E325 CarbonylContact C-O 3.58Å; V320-E325 WeakPolarHBondContact CA-O 3.48Å; D321-E325 PolarHBondContact N-O 3.05Å; D321-E325 PolarHBondContact OD1-N 3.32Å; E325-L327 PolarHBondContact O-N 2.99Å
326V83.3Confident84Confident78 Ų7849.4 Ų49.447%0.47328%0.277SS..BIsolated β-bridgetrans-79.4118173-176.90000107.2D318 V320 G328 N331D318-V326 HydrophobicContact CB-CG1 3.35Å; V320-V326 HydrophobicContact CG2-CG2 4.43Å; V326-G328 VanDerWaalsContact C-N 3.28Å; V326-G328 PolarHBondContact O-N 3.25Å; V326-N331 PolarHBondContact O-OD1 3.08Å
327L82Confident84.9Confident18 Ų1846.7 Ų46.79%0.09426%0.261CS..  trans-100.555.5179.4-64.7173000109.7M266 P319 D321 E325M266-L327 HydrophobicContact CE-CD2 3.8Å; P319-L327 HydrophobicContact CG-CB 4.35Å; P319-L327 VanDerWaalsContact CG-O 3.23Å; P319-L327 WeakPolarHBondContact CG-O 3.18Å; P319-L327 WeakPolarHBondContact O-CB 3.48Å; P319-L327 PolarHBondContact O-N 3.39Å; D321-L327 HydrophobicContact CB-CD1 3.51Å; D321-L327 HydrophobicContact CB-CG 4.14Å; E325-L327 PolarHBondContact O-N 2.99Å
328G82.1Confident85.8Confident4 Ų441 Ų414%0.04123%0.234CC..  trans-67169.4-174.900000112.3D318 V326 E330 N331D318-G328 VanDerWaalsContact OD1-CA 3.24Å; D318-G328 WeakPolarHBondContact OD1-CA 3.49Å; V326-G328 VanDerWaalsContact C-N 3.28Å; V326-G328 PolarHBondContact O-N 3.25Å; G328-E330 PolarHBondContact O-N 3Å; G328-N331 PolarHBondContact N-OD1 3.06Å; G328-N331 VanDerWaalsContact N-OD1 3.16Å; G328-N331 PolarHBondContact O-N 3.08Å; G328-N331 PolarHBondContact O-OD1 2.98Å
329F85.9Confident86.5Confident13 Ų1338 Ų386%0.05722%0.218CC..Hα-helixtrans-59.2-30.2174.9162.5-99.4000112.4S301 F304 Y305 N331 L332 V333S301-F329 VanDerWaalsContact OG-CE2 3.22Å; S301-F329 WeakPolarHBondContact OG-CE2 3.4Å; F304-F329 AromaticContact CD1-CD1 3.91Å; F304-F329 HydrophobicContact CD1-CD1 3.91Å; F304-F329 HydrophobicContact CD1-CE1 4.45Å; F304-F329 HydrophobicContact CD1-CG 4.06Å; F304-F329 HydrophobicContact CE1-CB 4.07Å; F304-F329 HydrophobicContact CE1-CD1 4.2Å; F304-F329 HydrophobicContact CE1-CG 4.11Å; Y305-F329 HydrophobicContact CD2-CE1 4.44Å; F329-N331 VanDerWaalsContact C-N 3.29Å; F329-N331 PolarHBondContact O-N 2.77Å; F329-L332 HydrophobicContact CD2-CD2 4.42Å; F329-L332 WeakPolarHBondContact O-CB 3.2Å; F329-L332 PolarHBondContact O-N 3.49Å; F329-L332 VanDerWaalsContact O-N 3.07Å; F329-V333 HydrophobicContact CD1-CG2 4.22Å; F329-V333 HydrophobicContact CE1-CG2 3.33Å; F329-V333 HydrophobicContact CE2-CG2 3.73Å; F329-V333 HydrophobicContact CZ-CG2 3Å; F329-V333 PolarHBondContact O-N 3.23Å
330E89.7Confident87.2Confident67 Ų6736.8 Ų36.831%0.31321%0.209SC..Hα-helixtrans-57.8-39.5177.2-58.6-171.1138.100112.8G328 L332 V333 F334 V398G328-E330 PolarHBondContact O-N 3Å; E330-L332 PolarHBondContact O-N 2.97Å; E330-V333 WeakPolarHBondContact O-CA 3.23Å; E330-V333 WeakPolarHBondContact O-CB 3.34Å; E330-V333 PolarHBondContact O-N 3.27Å; E330-F334 HydrophobicContact CB-CE2 4.37Å; E330-F334 WeakPolarHBondContact O-CD2 3.13Å; E330-F334 PolarHBondContact O-N 3.3Å; E330-V398 HydrophobicContact CB-CG2 3.9Å; E330-V398 HydrophobicContact CG-CG2 4.12Å
331N90.1Very high87.9Confident51 Ų5134.1 Ų34.127%0.27319%0.191SC..Hα-helixtrans-64.9-31.4178.1-54.197.7000112.8M266 V326 G328 F329 F334 S335M266-N331 HydrophobicContact CG-CB 4.36Å; M266-N331 HydrophobicContact SD-CB 3.38Å; M266-N331 WeakPolarHBondContact SD-CB 2.88Å; V326-N331 PolarHBondContact O-OD1 3.08Å; G328-N331 PolarHBondContact N-OD1 3.06Å; G328-N331 VanDerWaalsContact N-OD1 3.16Å; G328-N331 PolarHBondContact O-N 3.08Å; G328-N331 PolarHBondContact O-OD1 2.98Å; F329-N331 VanDerWaalsContact C-N 3.29Å; F329-N331 PolarHBondContact O-N 2.77Å; N331-F334 PolarHBondContact O-N 3.33Å; N331-S335 PolarHBondContact O-N 3.46Å; N331-S335 VanDerWaalsContact O-N 3.1Å; N331-S335 PolarHBondContact O-OG 2.95Å
332L91.6Very high88.6Confident6 Ų632.9 Ų32.93%0.03119%0.185CC..Hα-helixtrans-67.3-38.2171.9-179.259.9000111.1K265 M266 L269 T297 F329 E330 S335 I336K265-L332 HydrophobicContact CB-CD1 3.88Å; K265-L332 HydrophobicContact CB-CD2 4.27Å; K265-L332 HydrophobicContact CD-CD2 4.39Å; M266-L332 HydrophobicContact CB-CD1 4.42Å; L269-L332 HydrophobicContact CD2-CD1 4.37Å; T297-L332 HydrophobicContact CG2-CD2 3.74Å; T297-L332 HydrophobicContact CG2-CG 4.31Å; F329-L332 HydrophobicContact CD2-CD2 4.42Å; F329-L332 WeakPolarHBondContact O-CB 3.2Å; F329-L332 PolarHBondContact O-N 3.49Å; F329-L332 VanDerWaalsContact O-N 3.07Å; E330-L332 PolarHBondContact O-N 2.97Å; L332-S335 PolarHBondContact O-N 3.27Å; L332-I336 HydrophobicContact CG-CD1 4.28Å; L332-I336 VanDerWaalsContact O-CG1 3.28Å; L332-I336 WeakPolarHBondContact O-CG1 3.22Å; L332-I336 PolarHBondContact O-N 2.86Å
333V94.3Very high89.7Confident0 Ų030.4 Ų30.40%017%0.167CC..Hα-helixtrans-62.1-46174-177.30000111.1F329 E330 S335 I336 F337 Y367 V398F329-V333 HydrophobicContact CD1-CG2 4.22Å; F329-V333 HydrophobicContact CE1-CG2 3.33Å; F329-V333 HydrophobicContact CE2-CG2 3.73Å; F329-V333 HydrophobicContact CZ-CG2 3Å; F329-V333 PolarHBondContact O-N 3.23Å; E330-V333 WeakPolarHBondContact O-CA 3.23Å; E330-V333 WeakPolarHBondContact O-CB 3.34Å; E330-V333 PolarHBondContact O-N 3.27Å; V333-S335 VanDerWaalsContact C-N 3.3Å; V333-S335 PolarHBondContact O-N 3.49Å; V333-I336 WeakPolarHBondContact O-CA 3.32Å; V333-I336 WeakPolarHBondContact O-CB 3.34Å; V333-I336 PolarHBondContact O-N 3.44Å; V333-F337 HydrophobicContact CG1-CD1 4.41Å; V333-F337 HydrophobicContact CG1-CD2 4.04Å; V333-F337 HydrophobicContact CG1-CE1 3.96Å; V333-F337 HydrophobicContact CG1-CE2 3.55Å; V333-F337 HydrophobicContact CG1-CG 4.46Å; V333-F337 HydrophobicContact CG1-CZ 3.5Å; V333-F337 PolarHBondContact O-N 2.89Å; V333-Y367 HydrophobicContact CG1-CD1 4.2Å; V333-Y367 HydrophobicContact CG1-CE1 4.05Å; V333-Y367 HydrophobicContact CG2-CE1 3.98Å; V333-V398 HydrophobicContact CG1-CG1 3.94Å
334F94.4Very high90.7Very high25 Ų2527.4 Ų27.411%0.1115%0.151CC..Hα-helixtrans-55-47.4175-63.3-45.9000111.3E330 N331 I336 F337 E338 Y396 T397 V398 A401E330-F334 HydrophobicContact CB-CE2 4.37Å; E330-F334 WeakPolarHBondContact O-CD2 3.13Å; E330-F334 PolarHBondContact O-N 3.3Å; N331-F334 PolarHBondContact O-N 3.33Å; F334-I336 VanDerWaalsContact C-N 3.27Å; F334-I336 PolarHBondContact O-N 2.9Å; F334-F337 PolarHBondContact O-N 3.02Å; F334-F337 VanDerWaalsContact O-N 3.13Å; F334-E338 WeakPolarHBondContact O-CG 3.33Å; F334-E338 PolarHBondContact O-N 3.4Å; F334-Y396 HydrophobicContact CD1-CD1 4.2Å; F334-Y396 AromaticContact CD1-CE1 3.59Å; F334-Y396 HydrophobicContact CD1-CE1 3.59Å; F334-Y396 AromaticContact CE1-CD1 3.99Å; F334-Y396 HydrophobicContact CE1-CD1 3.99Å; F334-Y396 AromaticContact CE1-CE1 3.81Å; F334-Y396 HydrophobicContact CE1-CE1 3.81Å; F334-Y396 HydrophobicContact CG-CE1 4.07Å; F334-Y396 HydrophobicContact CZ-CD1 4.3Å; F334-Y396 HydrophobicContact CZ-CE1 4.49Å; F334-T397 VanDerWaalsContact CE1-C 3.48Å; F334-V398 HydrophobicContact CE1-CB 4.4Å; F334-V398 HydrophobicContact CE1-CG2 3.85Å; F334-V398 HydrophobicContact CZ-CG2 3.81Å; F334-A401 HydrophobicContact CD1-CB 3.92Å; F334-A401 HydrophobicContact CE1-CB 3.98Å
335S94.6Very high91.3Very high1 Ų130.9 Ų30.91%0.00715%0.154CC..Hα-helixtrans-64.2-30.4177.6-63.80000113.3M266 L269 N331 L332 V333 F339M266-S335 WeakPolarHBondContact CG-OG 3.28Å; L269-S335 WeakPolarHBondContact CD2-O 3.48Å; N331-S335 PolarHBondContact O-N 3.46Å; N331-S335 VanDerWaalsContact O-N 3.1Å; N331-S335 PolarHBondContact O-OG 2.95Å; L332-S335 PolarHBondContact O-N 3.27Å; V333-S335 VanDerWaalsContact C-N 3.3Å; V333-S335 PolarHBondContact O-N 3.49Å; S335-F339 VanDerWaalsContact O-CB 3.26Å; S335-F339 WeakPolarHBondContact O-CB 3.42Å; S335-F339 PolarHBondContact O-N 2.83Å
336I96.3Very high91.6Very high3 Ų326.3 Ų26.32%0.01513%0.133CC..Hα-helixtrans-70-43.4173.1-65.9166.3000110.7L269 V294 T297 L298 L332 V333 F334 F339 V340L269-I336 HydrophobicContact CD2-CB 4.17Å; L269-I336 HydrophobicContact CD2-CG1 3.42Å; L269-I336 VanDerWaalsContact CD2-CG1 3.42Å; V294-I336 HydrophobicContact CG1-CG1 4.17Å; V294-I336 HydrophobicContact CG1-CG2 4.02Å; T297-I336 HydrophobicContact CG2-CD1 3.86Å; L298-I336 HydrophobicContact CB-CD1 4.46Å; L298-I336 HydrophobicContact CB-CG2 4.19Å; L298-I336 HydrophobicContact CD1-CG2 3.94Å; L298-I336 HydrophobicContact CD2-CG2 4.45Å; L298-I336 HydrophobicContact CG-CG2 4.41Å; L332-I336 HydrophobicContact CG-CD1 4.28Å; L332-I336 VanDerWaalsContact O-CG1 3.28Å; L332-I336 WeakPolarHBondContact O-CG1 3.22Å; L332-I336 PolarHBondContact O-N 2.86Å; V333-I336 WeakPolarHBondContact O-CA 3.32Å; V333-I336 WeakPolarHBondContact O-CB 3.34Å; V333-I336 PolarHBondContact O-N 3.44Å; F334-I336 VanDerWaalsContact C-N 3.27Å; F334-I336 PolarHBondContact O-N 2.9Å; I336-F339 WeakPolarHBondContact O-CB 3.35Å; I336-F339 PolarHBondContact O-N 3.07Å; I336-V340 WeakPolarHBondContact O-CG2 2.86Å; I336-V340 PolarHBondContact O-N 3.47Å
337F97.1Very high91.7Very high1 Ų127.5 Ų27.50%0.00415%0.145CC..Hα-helixtrans-64.4-45.9176.9-65.9-16.6000111.4L298 V333 F334 F339 V340 H341 Y367 V398 A401 A402 L405L298-F337 HydrophobicContact CD1-CE1 3.96Å; V333-F337 HydrophobicContact CG1-CD1 4.41Å; V333-F337 HydrophobicContact CG1-CD2 4.04Å; V333-F337 HydrophobicContact CG1-CE1 3.96Å; V333-F337 HydrophobicContact CG1-CE2 3.55Å; V333-F337 HydrophobicContact CG1-CG 4.46Å; V333-F337 HydrophobicContact CG1-CZ 3.5Å; V333-F337 PolarHBondContact O-N 2.89Å; F334-F337 PolarHBondContact O-N 3.02Å; F334-F337 VanDerWaalsContact O-N 3.13Å; F337-F339 VanDerWaalsContact C-N 3.26Å; F337-F339 PolarHBondContact O-N 2.95Å; F337-V340 PolarHBondContact O-N 3.25Å; F337-H341 PolarHBondContact O-CD2 3.37Å; F337-H341 PolarHBondContact O-N 2.92Å; F337-Y367 HydrophobicContact CE1-CD2 4.35Å; F337-Y367 AromaticContact CZ-CD2 3.9Å; F337-Y367 HydrophobicContact CZ-CD2 3.9Å; F337-Y367 AromaticContact CZ-CG 3.94Å; F337-Y367 HydrophobicContact CZ-CG 3.94Å; F337-V398 HydrophobicContact CE2-CG1 4.42Å; F337-A401 HydrophobicContact CD2-CB 3.7Å; F337-A401 HydrophobicContact CE2-CB 4.21Å; F337-A402 HydrophobicContact CE2-CB 3.78Å; F337-A402 HydrophobicContact CZ-CB 3.95Å; F337-L405 HydrophobicContact CB-CD2 4.32Å; F337-L405 HydrophobicContact CD1-CD2 3.55Å; F337-L405 HydrophobicContact CE1-CD2 4.07Å; F337-L405 HydrophobicContact CG-CD2 4.05Å
338E95.6Very high92Very high77 Ų7731.3 Ų31.336%0.3616%0.161SC..Hα-helixtrans-55.6-41172.4-73.2175.2-171.400112.3F334 H341 A342F334-E338 WeakPolarHBondContact O-CG 3.33Å; F334-E338 PolarHBondContact O-N 3.4Å; E338-H341 PolarHBondContact O-N 3.12Å; E338-A342 PolarHBondContact O-N 3.23Å
339F96.9Very high92.4Very high3 Ų331.6 Ų31.61%0.01316%0.161CC..Hα-helixtrans-62.4-43.4174.2174.4-107.4000111.9L269 V272 T273 V276 M287 I290 L291 V294 S335 I336 F337 A342 L343L269-F339 HydrophobicContact CD1-CB 4.1Å; L269-F339 HydrophobicContact CD1-CD1 4.37Å; L269-F339 HydrophobicContact CD1-CD2 4.04Å; L269-F339 HydrophobicContact CD1-CG 3.93Å; L269-F339 HydrophobicContact CG-CB 4.31Å; V272-F339 HydrophobicContact CG1-CD2 4.3Å; V272-F339 HydrophobicContact CG1-CE2 3.75Å; T273-F339 WeakPolarHBondContact OG1-CA 3.04Å; T273-F339 WeakPolarHBondContact OG1-CB 3.32Å; V276-F339 HydrophobicContact CG2-CE2 4.18Å; M287-F339 HydrophobicContact CE-CE1 4.47Å; M287-F339 HydrophobicContact CE-CE2 3.87Å; M287-F339 HydrophobicContact CE-CZ 3.41Å; M287-F339 VanDerWaalsContact CE-CZ 3.41Å; M287-F339 HydrophobicContact SD-CE2 4.49Å; M287-F339 HydrophobicContact SD-CZ 4.43Å; I290-F339 HydrophobicContact CG2-CZ 4.02Å; L291-F339 HydrophobicContact CD2-CE1 4.02Å; L291-F339 HydrophobicContact CD2-CZ 4.08Å; V294-F339 HydrophobicContact CB-CE1 4.16Å; V294-F339 HydrophobicContact CG1-CD1 3.8Å; V294-F339 HydrophobicContact CG1-CE1 3.87Å; V294-F339 HydrophobicContact CG2-CE1 4.14Å; V294-F339 HydrophobicContact CG2-CZ 4.46Å; S335-F339 VanDerWaalsContact O-CB 3.26Å; S335-F339 WeakPolarHBondContact O-CB 3.42Å; S335-F339 PolarHBondContact O-N 2.83Å; I336-F339 WeakPolarHBondContact O-CB 3.35Å; I336-F339 PolarHBondContact O-N 3.07Å; F337-F339 VanDerWaalsContact C-N 3.26Å; F337-F339 PolarHBondContact O-N 2.95Å; F339-A342 WeakPolarHBondContact O-CB 3.29Å; F339-A342 PolarHBondContact O-N 3.2Å; F339-L343 HydrophobicContact CD1-CD1 4.11Å; F339-L343 HydrophobicContact CE1-CD1 3.69Å; F339-L343 HydrophobicContact CE1-CG 4.39Å; F339-L343 HydrophobicContact CE2-CD2 4.39Å; F339-L343 HydrophobicContact CZ-CD1 4.03Å; F339-L343 HydrophobicContact CZ-CD2 4.3Å; F339-L343 HydrophobicContact CZ-CG 4.4Å; F339-L343 WeakPolarHBondContact O-CG 3.45Å; F339-L343 PolarHBondContact O-N 2.75Å; F339-L343 VanDerWaalsContact O-N 3.08Å
340V96.4Very high92.7Very high13 Ų1333.6 Ų33.68%0.07917%0.17CC..Hα-helixtrans-65.4-40.5176.2-178.70000111.1I336 F337 A342 L343 L344 V353 L360 L405I336-V340 WeakPolarHBondContact O-CG2 2.86Å; I336-V340 PolarHBondContact O-N 3.47Å; F337-V340 PolarHBondContact O-N 3.25Å; V340-A342 VanDerWaalsContact C-N 3.32Å; V340-A342 PolarHBondContact O-N 2.84Å; V340-L343 WeakPolarHBondContact O-CB 3.46Å; V340-L343 PolarHBondContact O-N 2.92Å; V340-L344 HydrophobicContact CG1-CD1 4.48Å; V340-L344 WeakPolarHBondContact O-CG 3.32Å; V340-L344 PolarHBondContact O-N 2.83Å; V340-V353 HydrophobicContact CG1-CG1 4.34Å; V340-L360 HydrophobicContact CG1-CD2 4.13Å; V340-L405 HydrophobicContact CB-CD1 4.04Å; V340-L405 HydrophobicContact CB-CD2 4.26Å; V340-L405 HydrophobicContact CG1-CD1 3.7Å; V340-L405 HydrophobicContact CG1-CD2 4.29Å
341H95.3Very high92.8Very high26 Ų2633.4 Ų33.412%0.1218%0.176CC..Hα-helixtrans-56.3-46171.9-78.2-76.4000111.3F337 E338 L343 L344 E345 A408F337-H341 PolarHBondContact O-CD2 3.37Å; F337-H341 PolarHBondContact O-N 2.92Å; E338-H341 PolarHBondContact O-N 3.12Å; H341-L343 PolarHBondContact O-N 3.18Å; H341-L344 WeakPolarHBondContact O-CB 3.46Å; H341-L344 PolarHBondContact O-N 3.01Å; H341-E345 WeakPolarHBondContact O-CG 3.36Å; H341-E345 PolarHBondContact O-N 2.8Å; H341-A408 VanDerWaalsContact CE1-CB 3.49Å; H341-A408 WeakPolarHBondContact CE1-CB 3.18Å
342A94.3Very high92.9Very high0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-59.4-32.9175.100000113.6T273 V276 K277 E338 F339 V340 N346T273-A342 HydrophobicContact CG2-CB 3.73Å; V276-A342 HydrophobicContact CG1-CB 4.26Å; K277-A342 HydrophobicContact CD-CB 4.17Å; K277-A342 VanDerWaalsContact CE-CB 3.48Å; K277-A342 HydrophobicContact CG-CB 3.59Å; E338-A342 PolarHBondContact O-N 3.23Å; F339-A342 WeakPolarHBondContact O-CB 3.29Å; F339-A342 PolarHBondContact O-N 3.2Å; V340-A342 VanDerWaalsContact C-N 3.32Å; V340-A342 PolarHBondContact O-N 2.84Å; A342-N346 PolarHBondContact O-N 3.47Å
343L94.8Very high93Very high8 Ų833.8 Ų33.84%0.04218%0.18CC..Hα-helixtrans-73.7-30.6174.9-61.6175.5000112.8V276 M287 L291 F339 V340 H341 N346 F349 K350 V353V276-L343 HydrophobicContact CG1-CD2 3.89Å; M287-L343 HydrophobicContact CE-CD2 3.63Å; L291-L343 HydrophobicContact CD2-CD1 3.73Å; F339-L343 HydrophobicContact CD1-CD1 4.11Å; F339-L343 HydrophobicContact CE1-CD1 3.69Å; F339-L343 HydrophobicContact CE1-CG 4.39Å; F339-L343 HydrophobicContact CE2-CD2 4.39Å; F339-L343 HydrophobicContact CZ-CD1 4.03Å; F339-L343 HydrophobicContact CZ-CD2 4.3Å; F339-L343 HydrophobicContact CZ-CG 4.4Å; F339-L343 WeakPolarHBondContact O-CG 3.45Å; F339-L343 PolarHBondContact O-N 2.75Å; F339-L343 VanDerWaalsContact O-N 3.08Å; V340-L343 WeakPolarHBondContact O-CB 3.46Å; V340-L343 PolarHBondContact O-N 2.92Å; H341-L343 PolarHBondContact O-N 3.18Å; L343-N346 VanDerWaalsContact O-O 3.07Å; L343-F349 HydrophobicContact CB-CB 3.94Å; L343-F349 HydrophobicContact CD2-CB 3.59Å; L343-F349 HydrophobicContact CD2-CD1 4.37Å; L343-F349 HydrophobicContact CD2-CD2 3.75Å; L343-F349 HydrophobicContact CD2-CG 3.64Å; L343-F349 HydrophobicContact CG-CB 4.33Å; L343-K350 PolarHBondContact O-N 3.46Å; L343-V353 HydrophobicContact CB-CG2 3.66Å; L343-V353 HydrophobicContact CD1-CG2 4.24Å
344L92.8Very high93Very high8 Ų838 Ų384%0.04220%0.199CC..Hα-helixtrans-73.2-42.2176.1-70.2170.9000111.6V340 H341 N346 V353 L405 A408 V409 F413V340-L344 HydrophobicContact CG1-CD1 4.48Å; V340-L344 WeakPolarHBondContact O-CG 3.32Å; V340-L344 PolarHBondContact O-N 2.83Å; H341-L344 WeakPolarHBondContact O-CB 3.46Å; H341-L344 PolarHBondContact O-N 3.01Å; L344-N346 PolarHBondContact O-N 3.41Å; L344-N346 VanDerWaalsContact O-N 3.17Å; L344-V353 HydrophobicContact CD2-CB 4.09Å; L344-V353 HydrophobicContact CD2-CG1 3.69Å; L344-V353 HydrophobicContact CD2-CG2 4.39Å; L344-V353 HydrophobicContact CG-CG1 4.37Å; L344-L405 HydrophobicContact CD1-CD1 4.16Å; L344-A408 HydrophobicContact CD1-CB 4.21Å; L344-V409 HydrophobicContact CD1-CG1 3.69Å; L344-V409 HydrophobicContact CD2-CG1 4.28Å; L344-F413 HydrophobicContact CD2-CE2 3.52Å; L344-F413 HydrophobicContact CD2-CZ 3.68Å
345E89.1Confident93Very high124 Ų12445 Ų4558%0.57923%0.229SC*.Hα-helixtrans-59.3-24.5174.9-71.6167.5-163.800111.9K277 H341K277-E345 VanDerWaalsContact CE-OE2 3.27Å; K277-E345 WeakPolarHBondContact CE-OE2 3.49Å; K277-E345 IonicContact NZ-OE1 2.72Å; K277-E345 PolarHBondContact NZ-OE1 3.4Å; K277-E345 VanDerWaalsContact NZ-OE1 3.11Å; K277-E345 IonicContact NZ-OE2 3.14Å; K277-E345 PolarHBondContact NZ-OE2 3.08Å; H341-E345 WeakPolarHBondContact O-CG 3.36Å; H341-E345 PolarHBondContact O-N 2.8Å
346N87.6Confident93.1Very high26 Ų2646.5 Ų46.514%0.13924%0.242CC..  trans-105.2116.4-178.4-156.5-68.3000113.8P280 A342 L343 L344 K348 F349 K350P280-N346 WeakPolarHBondContact CB-ND2 3.34Å; P280-N346 VanDerWaalsContact CG-ND2 3.3Å; P280-N346 WeakPolarHBondContact CG-ND2 3.37Å; A342-N346 PolarHBondContact O-N 3.47Å; L343-N346 VanDerWaalsContact O-O 3.07Å; L344-N346 PolarHBondContact O-N 3.41Å; L344-N346 VanDerWaalsContact O-N 3.17Å; N346-K348 PolarHBondContact O-N 3.32Å; N346-K348 WeakPolarHBondContact OD1-CB 3.16Å; N346-K348 PolarHBondContact OD1-N 3.47Å; N346-K348 VanDerWaalsContact OD1-N 3.12Å; N346-F349 HydrophobicContact CB-CD2 3.86Å; N346-F349 PolarHBondContact O-N 2.85Å; N346-K350 PolarHBondContact O-N 2.86Å
347S85.5Confident93Very high104 Ų10446.5 Ų46.573%0.72724%0.242SC*.Hα-helixtrans-54.3-31-179.964.20000114.2F349S347-F349 VanDerWaalsContact C-N 3.3Å; S347-F349 PolarHBondContact O-N 3.05Å
348K87.4Confident93Very high97 Ų9749.6 Ų49.642%0.42226%0.262SS..Hα-helixtrans-66.2-30.9178.8-61.5-168.3175.1-149.40113V284 N346V284-K348 HydrophobicContact CG2-CD 4.37Å; N346-K348 PolarHBondContact O-N 3.32Å; N346-K348 WeakPolarHBondContact OD1-CB 3.16Å; N346-K348 PolarHBondContact OD1-N 3.47Å; N346-K348 VanDerWaalsContact OD1-N 3.12Å
349F91.3Very high93Very high11 Ų1150 Ų505%0.04826%0.264CS..Hα-helixtrans-104.4-19.2-175.8-56.4-55.4000113.2V276 P280 V284 M287 L343 N346 S347 S351 T352 V353V276-F349 HydrophobicContact CG1-CD2 3.91Å; V276-F349 HydrophobicContact CG1-CE2 3.83Å; P280-F349 HydrophobicContact CB-CE2 3.95Å; V284-F349 HydrophobicContact CG2-CE1 4.26Å; V284-F349 HydrophobicContact CG2-CZ 4.17Å; M287-F349 HydrophobicContact CB-CE1 4.17Å; M287-F349 HydrophobicContact CG-CD1 4.38Å; M287-F349 HydrophobicContact CG-CE1 3.61Å; M287-F349 HydrophobicContact CG-CZ 3.8Å; L343-F349 HydrophobicContact CB-CB 3.94Å; L343-F349 HydrophobicContact CD2-CB 3.59Å; L343-F349 HydrophobicContact CD2-CD1 4.37Å; L343-F349 HydrophobicContact CD2-CD2 3.75Å; L343-F349 HydrophobicContact CD2-CG 3.64Å; L343-F349 HydrophobicContact CG-CB 4.33Å; N346-F349 HydrophobicContact CB-CD2 3.86Å; N346-F349 PolarHBondContact O-N 2.85Å; S347-F349 VanDerWaalsContact C-N 3.3Å; S347-F349 PolarHBondContact O-N 3.05Å; F349-S351 PolarHBondContact O-N 3.05Å; F349-S351 VanDerWaalsContact O-N 3.15Å; F349-T352 WeakPolarHBondContact O-CA 3.35Å; F349-T352 VanDerWaalsContact O-CB 3.3Å; F349-T352 WeakPolarHBondContact O-CB 3.49Å; F349-T352 PolarHBondContact O-N 3.26Å; F349-V353 PolarHBondContact O-N 3.37Å
350K90.9Very high93.1Very high54 Ų5450.1 Ų50.124%0.23527%0.265CS..Hα-helixtrans-50.8-39.3177.3-170.9161.4-177.21610113.8L343 N346 T352 V353 K354 D412 F413L343-K350 PolarHBondContact O-N 3.46Å; N346-K350 PolarHBondContact O-N 2.86Å; K350-T352 VanDerWaalsContact C-N 3.28Å; K350-T352 PolarHBondContact O-N 2.95Å; K350-V353 PolarHBondContact O-N 3.28Å; K350-K354 WeakPolarHBondContact O-CB 3.43Å; K350-K354 PolarHBondContact O-N 3.19Å; K350-D412 VanDerWaalsContact CE-OD2 3.29Å; K350-D412 WeakPolarHBondContact CE-OD2 3.27Å; K350-D412 IonicContact NZ-OD1 3.62Å; K350-D412 PolarHBondContact NZ-OD1 3.43Å; K350-D412 IonicContact NZ-OD2 3.04Å; K350-D412 PolarHBondContact NZ-OD2 3.15Å; K350-F413 HydrophobicContact CD-CE1 4.29Å; K350-F413 HydrophobicContact CG-CE1 3.56Å; K350-F413 HydrophobicContact CG-CZ 3.74Å
351S91.7Very high93.2Very high64 Ų6449.5 Ų49.545%0.44826%0.261SS..Hα-helixtrans-65.1-29.2176.5740000114F349 K355F349-S351 PolarHBondContact O-N 3.05Å; F349-S351 VanDerWaalsContact O-N 3.15Å; S351-K355 WeakPolarHBondContact O-CG 3.45Å; S351-K355 PolarHBondContact O-N 3.44Å
352T92.2Very high93.3Very high56 Ų5649.5 Ų49.534%0.34426%0.26SS..Hα-helixtrans-75.6-43.5177-56.80000110.6L291 F349 K350 K354 K355 A356L291-T352 HydrophobicContact CD1-CG2 3.69Å; F349-T352 WeakPolarHBondContact O-CA 3.35Å; F349-T352 VanDerWaalsContact O-CB 3.3Å; F349-T352 WeakPolarHBondContact O-CB 3.49Å; F349-T352 PolarHBondContact O-N 3.26Å; K350-T352 VanDerWaalsContact C-N 3.28Å; K350-T352 PolarHBondContact O-N 2.95Å; T352-K354 VanDerWaalsContact C-N 3.33Å; T352-K354 PolarHBondContact O-N 3.22Å; T352-K355 PolarHBondContact O-N 3.41Å; T352-A356 PolarHBondContact O-N 2.76Å
353V94.1Very high93.5Very high8 Ų851.8 Ų51.85%0.04827%0.269CS..Hα-helixtrans-60.7-44.6173.7-174.40000110.4V340 L343 L344 F349 K350 K355 A356 L357 L360 F413V340-V353 HydrophobicContact CG1-CG1 4.34Å; L343-V353 HydrophobicContact CB-CG2 3.66Å; L343-V353 HydrophobicContact CD1-CG2 4.24Å; L344-V353 HydrophobicContact CD2-CB 4.09Å; L344-V353 HydrophobicContact CD2-CG1 3.69Å; L344-V353 HydrophobicContact CD2-CG2 4.39Å; L344-V353 HydrophobicContact CG-CG1 4.37Å; F349-V353 PolarHBondContact O-N 3.37Å; K350-V353 PolarHBondContact O-N 3.28Å; V353-K355 VanDerWaalsContact C-N 3.25Å; V353-K355 PolarHBondContact O-N 2.96Å; V353-A356 CarbonylContact O-C 3.58Å; V353-A356 PolarHBondContact O-N 3.21Å; V353-L357 PolarHBondContact O-N 3.5Å; V353-L360 HydrophobicContact CG1-CD2 3.99Å; V353-F413 HydrophobicContact CB-CE2 4.46Å; V353-F413 HydrophobicContact CB-CZ 4.28Å; V353-F413 HydrophobicContact CG1-CE2 4.07Å; V353-F413 HydrophobicContact CG1-CZ 4.37Å
354K95Very high93.6Very high90 Ų9051.5 Ų51.539%0.39127%0.267SS..Hα-helixtrans-54.9-37.7175.8-170.8172.6-177167.50113.3K350 T352 L357 F413 E416K350-K354 WeakPolarHBondContact O-CB 3.43Å; K350-K354 PolarHBondContact O-N 3.19Å; T352-K354 VanDerWaalsContact C-N 3.33Å; T352-K354 PolarHBondContact O-N 3.22Å; K354-L357 VanDerWaalsContact O-CB 3.28Å; K354-L357 WeakPolarHBondContact O-CB 3.47Å; K354-F413 HydrophobicContact CB-CD1 4.21Å; K354-F413 HydrophobicContact CB-CE1 3.68Å; K354-F413 HydrophobicContact CB-CZ 3.91Å; K354-F413 HydrophobicContact CD-CD1 4.12Å; K354-F413 HydrophobicContact CD-CE1 4.19Å; K354-F413 HydrophobicContact CG-CD1 4.1Å; K354-F413 HydrophobicContact CG-CE1 4.08Å; K354-E416 WeakPolarHBondContact CE-OE1 3.48Å; K354-E416 IonicContact NZ-OE1 2.72Å; K354-E416 PolarHBondContact NZ-OE1 3Å
355K94.8Very high93.9Very high170 Ų17051.1 Ų51.174%0.73927%0.265SS*.Hα-helixtrans-71.8-33.5177.7-72169.6-173.2170.50112.8S351 T352 V353 L357S351-K355 WeakPolarHBondContact O-CG 3.45Å; S351-K355 PolarHBondContact O-N 3.44Å; T352-K355 PolarHBondContact O-N 3.41Å; V353-K355 VanDerWaalsContact C-N 3.25Å; V353-K355 PolarHBondContact O-N 2.96Å; K355-L357 VanDerWaalsContact C-N 3.35Å
356A95Very high94.3Very high34 Ų3446.6 Ų46.628%0.28125%0.245SC..Hα-helixtrans-85.4-8.9178.700000113.3W295 T352 V353 P358 E359 L360W295-A356 HydrophobicContact CZ3-CB 4.38Å; T352-A356 PolarHBondContact O-N 2.76Å; V353-A356 CarbonylContact O-C 3.58Å; V353-A356 PolarHBondContact O-N 3.21Å; A356-P358 VanDerWaalsContact C-CD 3.47Å; A356-E359 PolarHBondContact O-N 3.11Å; A356-E359 VanDerWaalsContact O-N 3.1Å; A356-L360 WeakPolarHBondContact O-CB 3.43Å; A356-L360 PolarHBondContact O-N 3.28Å
357L96.1Very high94.8Very high3 Ų345.3 Ų45.32%0.01624%0.238CC..Hα-helixtrans-47.9-45.2-170.9-171.966.3000115.3V353 K354 K355 E359 L360 I361 V409 F413 E416 A420V353-L357 PolarHBondContact O-N 3.5Å; K354-L357 VanDerWaalsContact O-CB 3.28Å; K354-L357 WeakPolarHBondContact O-CB 3.47Å; K355-L357 VanDerWaalsContact C-N 3.35Å; L357-E359 PolarHBondContact O-N 3.1Å; L357-L360 PolarHBondContact O-N 2.94Å; L357-I361 HydrophobicContact CD1-CD1 3.73Å; L357-I361 HydrophobicContact CD1-CG1 4.14Å; L357-I361 HydrophobicContact CG-CD1 3.94Å; L357-I361 WeakPolarHBondContact O-CG1 3.32Å; L357-I361 PolarHBondContact O-N 3.35Å; L357-V409 HydrophobicContact CD1-CB 3.91Å; L357-V409 HydrophobicContact CD1-CG1 4.32Å; L357-V409 HydrophobicContact CD1-CG2 4.09Å; L357-F413 HydrophobicContact CD1-CD2 3.94Å; L357-F413 HydrophobicContact CD1-CE2 4.33Å; L357-F413 HydrophobicContact CD2-CB 4.11Å; L357-F413 HydrophobicContact CD2-CD2 3.99Å; L357-F413 HydrophobicContact CD2-CG 4.26Å; L357-E416 HydrophobicContact CD2-CB 4.09Å; L357-A420 HydrophobicContact CD2-CB 4.38Å; L357-A420 HydrophobicContact CG-CB 4.06Å
358P96.2Very high95.4Very high66 Ų6640.4 Ų40.443%0.42920%0.204SC..Hα-helixtrans-61.5-44.3179.1-23.435.6000113.8A356 Y362 A420A356-P358 VanDerWaalsContact C-CD 3.47Å; P358-Y362 PolarHBondContact O-N 3.15Å; P358-A420 HydrophobicContact CB-CB 4.4Å; P358-A420 HydrophobicContact CG-CB 4.36Å
359E96.7Very high95.9Very high86 Ų8636.2 Ų36.240%0.40219%0.186SC..Hα-helixtrans-75-37.7178.2-65.1-65.9127.900110.5W295 A356 L357 I361 Y362 Y363 R427W295-E359 HydrophobicContact CH2-CB 3.65Å; W295-E359 HydrophobicContact CZ2-CB 3.64Å; A356-E359 PolarHBondContact O-N 3.11Å; A356-E359 VanDerWaalsContact O-N 3.1Å; L357-E359 PolarHBondContact O-N 3.1Å; E359-I361 PolarHBondContact O-N 3.06Å; E359-Y362 WeakPolarHBondContact O-CB 3.11Å; E359-Y362 PolarHBondContact O-N 3.44Å; E359-Y362 VanDerWaalsContact O-N 3.15Å; E359-Y363 WeakPolarHBondContact O-CD2 3.32Å; E359-Y363 PolarHBondContact O-N 3.43Å; E359-Y363 VanDerWaalsContact O-N 3.08Å; E359-R427 IonicContact OE1-NH1 3.93Å
360L97.4Very high96.2Very high5 Ų535.8 Ų35.83%0.02618%0.184CC..Hα-helixtrans-58.7-48.9178.8176.761.2000110.5W295 L298 V340 V353 A356 L357 Y362 Y363 I364 V409W295-L360 HydrophobicContact CH2-CB 4.32Å; W295-L360 HydrophobicContact CZ3-CB 4.19Å; W295-L360 HydrophobicContact CZ3-CD1 4.28Å; L298-L360 HydrophobicContact CD2-CD1 3.97Å; V340-L360 HydrophobicContact CG1-CD2 4.13Å; V353-L360 HydrophobicContact CG1-CD2 3.99Å; A356-L360 WeakPolarHBondContact O-CB 3.43Å; A356-L360 PolarHBondContact O-N 3.28Å; L357-L360 PolarHBondContact O-N 2.94Å; L360-Y362 VanDerWaalsContact C-N 3.3Å; L360-Y362 PolarHBondContact O-N 3.21Å; L360-Y363 PolarHBondContact O-N 3.16Å; L360-Y363 VanDerWaalsContact O-N 3.17Å; L360-I364 HydrophobicContact CD1-CD1 4.13Å; L360-I364 HydrophobicContact CD1-CG1 4.29Å; L360-I364 HydrophobicContact CD2-CD1 4.46Å; L360-I364 HydrophobicContact CG-CD1 3.81Å; L360-I364 HydrophobicContact CG-CG1 4.4Å; L360-I364 VanDerWaalsContact O-CG1 3.31Å; L360-I364 WeakPolarHBondContact O-CG1 3.5Å; L360-I364 PolarHBondContact O-N 2.82Å; L360-V409 HydrophobicContact CD2-CG1 4.41Å
361I98.2Very high96.4Very high0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-64-35.8177.9-69.4171.6000111.5L357 E359 Y363 I364 I365 L406 V409 A420 L421 A424L357-I361 HydrophobicContact CD1-CD1 3.73Å; L357-I361 HydrophobicContact CD1-CG1 4.14Å; L357-I361 HydrophobicContact CG-CD1 3.94Å; L357-I361 WeakPolarHBondContact O-CG1 3.32Å; L357-I361 PolarHBondContact O-N 3.35Å; E359-I361 PolarHBondContact O-N 3.06Å; I361-Y363 VanDerWaalsContact C-N 3.33Å; I361-Y363 PolarHBondContact O-N 2.96Å; I361-I364 PolarHBondContact O-N 3.48Å; I361-I365 HydrophobicContact CG2-CD1 4.17Å; I361-I365 WeakPolarHBondContact O-CG1 3.36Å; I361-I365 PolarHBondContact O-N 3.03Å; I361-I365 VanDerWaalsContact O-N 3.1Å; I361-L406 HydrophobicContact CD1-CD1 4.44Å; I361-L406 HydrophobicContact CG1-CD1 4.25Å; I361-L406 HydrophobicContact CG2-CD1 4.28Å; I361-V409 HydrophobicContact CD1-CG2 4.32Å; I361-V409 HydrophobicContact CG1-CG2 4.34Å; I361-A420 HydrophobicContact CD1-CB 3.72Å; I361-L421 HydrophobicContact CD1-CB 4.49Å; I361-L421 HydrophobicContact CG2-CB 4.14Å; I361-L421 HydrophobicContact CG2-CD1 3.63Å; I361-A424 HydrophobicContact CG2-CB 3.97Å
362Y98.3Very high96.5Very high25 Ų2532.8 Ų32.810%0.09816%0.164CC..Hα-helixtrans-57.4-45.1173.5176.7-90.5000111.9P358 E359 L360 L366 R427 H428 E431P358-Y362 PolarHBondContact O-N 3.15Å; E359-Y362 WeakPolarHBondContact O-CB 3.11Å; E359-Y362 PolarHBondContact O-N 3.44Å; E359-Y362 VanDerWaalsContact O-N 3.15Å; L360-Y362 VanDerWaalsContact C-N 3.3Å; L360-Y362 PolarHBondContact O-N 3.21Å; Y362-L366 HydrophobicContact CE1-CD1 4.23Å; Y362-R427 HydrophobicContact CD2-CG 4.39Å; Y362-R427 HydrophobicContact CE2-CG 3.93Å; Y362-H428 AromaticContact CD2-CD2 3.73Å; Y362-H428 AromaticContact CD2-CE1 3.52Å; Y362-H428 AromaticContact CD2-NE2 3.23Å; Y362-H428 WeakPolarHBondContact CD2-NE2 3.23Å; Y362-H428 AromaticContact CE1-CE1 3.9Å; Y362-H428 AromaticContact CE2-CD2 3.91Å; Y362-H428 AromaticContact CE2-CE1 3.1Å; Y362-H428 WeakPolarHBondContact CE2-CE1 3.45Å; Y362-H428 AromaticContact CE2-CG 3.97Å; Y362-H428 AromaticContact CE2-ND1 3.51Å; Y362-H428 AromaticContact CE2-NE2 3.37Å; Y362-H428 WeakPolarHBondContact CE2-NE2 3.42Å; Y362-H428 AromaticContact CG-NE2 3.67Å; Y362-H428 AromaticContact CZ-CE1 3.32Å; Y362-H428 AromaticContact CZ-ND1 3.93Å; Y362-H428 AromaticContact CZ-NE2 3.91Å; Y362-H428 PolarHBondContact O-NE2 3.46Å; Y362-E431 PolarHBondContact OH-OE1 2.81Å; Y362-E431 PolarHBondContact OH-OE2 3.45Å
363Y97.9Very high96.6Very high48 Ų4835.2 Ų35.219%0.18817%0.172CC..Hα-helixtrans-74-36.5177.4-73.6-76.8000113.2W295 T299 A302 E359 L360 I361 I365 L366 Y367W295-Y363 HydrophobicContact CH2-CD2 4.31Å; W295-Y363 HydrophobicContact CZ2-CD2 4.28Å; W295-Y363 HydrophobicContact CZ2-CE2 4.21Å; T299-Y363 HydrophobicContact CG2-CD1 4.2Å; T299-Y363 HydrophobicContact CG2-CD2 3.66Å; T299-Y363 HydrophobicContact CG2-CE1 3.83Å; T299-Y363 HydrophobicContact CG2-CE2 3.27Å; T299-Y363 HydrophobicContact CG2-CG 4.13Å; A302-Y363 HydrophobicContact CB-CD1 3.68Å; A302-Y363 HydrophobicContact CB-CE1 4.16Å; E359-Y363 WeakPolarHBondContact O-CD2 3.32Å; E359-Y363 PolarHBondContact O-N 3.43Å; E359-Y363 VanDerWaalsContact O-N 3.08Å; L360-Y363 PolarHBondContact O-N 3.16Å; L360-Y363 VanDerWaalsContact O-N 3.17Å; I361-Y363 VanDerWaalsContact C-N 3.33Å; I361-Y363 PolarHBondContact O-N 2.96Å; Y363-I365 VanDerWaalsContact C-N 3.28Å; Y363-I365 PolarHBondContact O-N 3.35Å; Y363-L366 HydrophobicContact CD1-CD1 3.95Å; Y363-L366 HydrophobicContact CE1-CD1 4.38Å; Y363-L366 WeakPolarHBondContact O-CB 3.25Å; Y363-L366 PolarHBondContact O-N 3.07Å; Y363-Y367 VanDerWaalsContact O-CD2 3.22Å; Y363-Y367 WeakPolarHBondContact O-CD2 3.35Å; Y363-Y367 PolarHBondContact O-N 3.18Å
364I98.1Very high96.6Very high2 Ų235.6 Ų35.61%0.0117%0.173CC..Hα-helixtrans-54-46.2174.3-73.7169.7000110.6L360 I361 L366 Y367 M368 A402 L405 L406L360-I364 HydrophobicContact CD1-CD1 4.13Å; L360-I364 HydrophobicContact CD1-CG1 4.29Å; L360-I364 HydrophobicContact CD2-CD1 4.46Å; L360-I364 HydrophobicContact CG-CD1 3.81Å; L360-I364 HydrophobicContact CG-CG1 4.4Å; L360-I364 VanDerWaalsContact O-CG1 3.31Å; L360-I364 WeakPolarHBondContact O-CG1 3.5Å; L360-I364 PolarHBondContact O-N 2.82Å; I361-I364 PolarHBondContact O-N 3.48Å; I364-L366 PolarHBondContact O-N 3.44Å; I364-Y367 PolarHBondContact O-N 3.14Å; I364-M368 HydrophobicContact CG2-CG 4.15Å; I364-M368 HydrophobicContact CG2-SD 3.83Å; I364-M368 WeakPolarHBondContact O-CG 3.41Å; I364-M368 PolarHBondContact O-N 3.37Å; I364-A402 HydrophobicContact CG2-CB 4.24Å; I364-A402 VanDerWaalsContact CG2-O 3.23Å; I364-A402 WeakPolarHBondContact CG2-O 3.14Å; I364-L405 HydrophobicContact CD1-CB 4.45Å; I364-L405 HydrophobicContact CD1-CD2 3.83Å; I364-L405 HydrophobicContact CD1-CG 3.82Å; I364-L405 HydrophobicContact CG1-CD2 4.12Å; I364-L406 HydrophobicContact CG2-CB 4.05Å
365I98.4Very high96.7Very high0 Ų032.6 Ų32.60%016%0.161CC..Hα-helixtrans-59.8-32.9178.6-66.4167.4000112.2I361 Y363 Y367 M368 L421 A424 I446 A449 A453I361-I365 HydrophobicContact CG2-CD1 4.17Å; I361-I365 WeakPolarHBondContact O-CG1 3.36Å; I361-I365 PolarHBondContact O-N 3.03Å; I361-I365 VanDerWaalsContact O-N 3.1Å; Y363-I365 VanDerWaalsContact C-N 3.28Å; Y363-I365 PolarHBondContact O-N 3.35Å; I365-Y367 VanDerWaalsContact C-N 3.34Å; I365-M368 PolarHBondContact O-N 3.04Å; I365-L421 HydrophobicContact CD1-CD1 3.9Å; I365-L421 HydrophobicContact CG1-CD1 4.47Å; I365-A424 HydrophobicContact CD1-CB 3.88Å; I365-I446 HydrophobicContact CG2-CD1 3.86Å; I365-A449 HydrophobicContact CG2-CB 4.12Å; I365-A453 HydrophobicContact CG1-CB 4.1Å
366L97.8Very high96.8Very high29 Ų2930 Ų3015%0.15215%0.15CC..Hα-helixtrans-65.7-38.4175.9-67.3174000111.8A302 Y362 Y363 I364 Q369 I446A302-L366 HydrophobicContact CB-CD1 4.09Å; Y362-L366 HydrophobicContact CE1-CD1 4.23Å; Y363-L366 HydrophobicContact CD1-CD1 3.95Å; Y363-L366 HydrophobicContact CE1-CD1 4.38Å; Y363-L366 WeakPolarHBondContact O-CB 3.25Å; Y363-L366 PolarHBondContact O-N 3.07Å; I364-L366 PolarHBondContact O-N 3.44Å; L366-Q369 PolarHBondContact O-NE2 2.93Å; L366-I446 HydrophobicContact CD2-CD1 3.84Å
367Y97.9Very high96.9Very high0 Ų031.3 Ų31.30%015%0.154CC..Hα-helixtrans-75.6-24177-71.6-68.6000113.2L298 A302 Y305 V333 F337 Y363 I364 I365 Q369 V398L298-Y367 HydrophobicContact CD1-CD2 4.39Å; L298-Y367 HydrophobicContact CD1-CE2 3.55Å; L298-Y367 HydrophobicContact CG-CE2 4.41Å; L298-Y367 PolarHBondContact O-OH 3.02Å; A302-Y367 WeakPolarHBondContact CA-OH 3.46Å; A302-Y367 HydrophobicContact CB-CE2 3.89Å; A302-Y367 PolarHBondContact N-OH 3.11Å; A302-Y367 VanDerWaalsContact N-OH 3.1Å; Y305-Y367 AromaticContact CD1-CD1 3.52Å; Y305-Y367 HydrophobicContact CD1-CD1 3.52Å; Y305-Y367 AromaticContact CD1-CE1 3.94Å; Y305-Y367 HydrophobicContact CD1-CE1 3.94Å; Y305-Y367 HydrophobicContact CD1-CG 4.5Å; Y305-Y367 HydrophobicContact CD2-CD1 4.48Å; Y305-Y367 AromaticContact CE1-CD1 3.89Å; Y305-Y367 HydrophobicContact CE1-CD1 3.89Å; Y305-Y367 AromaticContact CG-CD1 3.85Å; Y305-Y367 HydrophobicContact CG-CD1 3.85Å; Y305-Y367 AromaticContact CG-CE1 3.85Å; Y305-Y367 HydrophobicContact CG-CE1 3.85Å; V333-Y367 HydrophobicContact CG1-CD1 4.2Å; V333-Y367 HydrophobicContact CG1-CE1 4.05Å; V333-Y367 HydrophobicContact CG2-CE1 3.98Å; F337-Y367 HydrophobicContact CE1-CD2 4.35Å; F337-Y367 AromaticContact CZ-CD2 3.9Å; F337-Y367 HydrophobicContact CZ-CD2 3.9Å; F337-Y367 AromaticContact CZ-CG 3.94Å; F337-Y367 HydrophobicContact CZ-CG 3.94Å; Y363-Y367 VanDerWaalsContact O-CD2 3.22Å; Y363-Y367 WeakPolarHBondContact O-CD2 3.35Å; Y363-Y367 PolarHBondContact O-N 3.18Å; I364-Y367 PolarHBondContact O-N 3.14Å; I365-Y367 VanDerWaalsContact C-N 3.34Å; Y367-Q369 PolarHBondContact O-N 2.98Å; Y367-V398 HydrophobicContact CD1-CG1 3.6Å; Y367-V398 HydrophobicContact CE1-CG1 4.47Å; Y367-V398 HydrophobicContact CG-CG1 4.19Å
368M97.8Very high96.9Very high0 Ų031.5 Ų31.50%016%0.155CC..THydrogen-bonded Turntrans-74.2-1.4173.9-68.1177.773.800113.8I364 I365 R399 A402 Q403 L406 A449 L452 A453I364-M368 HydrophobicContact CG2-CG 4.15Å; I364-M368 HydrophobicContact CG2-SD 3.83Å; I364-M368 WeakPolarHBondContact O-CG 3.41Å; I364-M368 PolarHBondContact O-N 3.37Å; I365-M368 PolarHBondContact O-N 3.04Å; M368-R399 PolarHBondContact O-NH1 3.42Å; M368-A402 HydrophobicContact CG-CB 3.67Å; M368-Q403 HydrophobicContact CE-CB 3.99Å; M368-Q403 HydrophobicContact CE-CG 4.15Å; M368-L406 HydrophobicContact CE-CD2 4.09Å; M368-L406 HydrophobicContact SD-CD2 3.89Å; M368-A449 HydrophobicContact CB-CB 4.31Å; M368-L452 HydrophobicContact CE-CB 4.35Å; M368-L452 HydrophobicContact CE-CD2 3.65Å; M368-L452 HydrophobicContact CE-CG 3.66Å; M368-A453 HydrophobicContact CE-CB 3.93Å; M368-A453 HydrophobicContact SD-CB 3.94Å
369Q98Very high96.9Very high10 Ų1032.7 Ų32.75%0.04716%0.161CC..SBendtrans-71.1143.5-179.6-71.5177.393.200112.9V310 L366 Y367 T371 K445 I446 A449V310-Q369 HydrophobicContact CG1-CB 3.78Å; V310-Q369 HydrophobicContact CG2-CB 4.18Å; L366-Q369 PolarHBondContact O-NE2 2.93Å; Y367-Q369 PolarHBondContact O-N 2.98Å; Q369-T371 PolarHBondContact O-N 2.84Å; Q369-K445 HydrophobicContact CB-CB 4.45Å; Q369-K445 HydrophobicContact CG-CB 4.43Å; Q369-I446 HydrophobicContact CG-CD1 3.97Å; Q369-A449 HydrophobicContact CG-CB 3.76Å
370I96.8Very high96.9Very high1 Ų132.8 Ų32.81%0.00518%0.176CC..PPolyproline II helixtrans-63.6126.8176.1-170.5179.5000112.2Q374 I375 W378 W444 K445 F493I370-Q374 HydrophobicContact CG1-CB 4.17Å; I370-I375 HydrophobicContact CD1-CD1 4.27Å; I370-I375 HydrophobicContact CD1-CG1 3.53Å; I370-I375 HydrophobicContact CG1-CD1 4.43Å; I370-I375 HydrophobicContact CG1-CG1 3.88Å; I370-I375 HydrophobicContact CG2-CD1 4.44Å; I370-W378 HydrophobicContact CD1-CE3 3.72Å; I370-W378 HydrophobicContact CD1-CZ3 3.43Å; I370-W378 VanDerWaalsContact CD1-CZ3 3.43Å; I370-W378 HydrophobicContact CG1-CE3 4.24Å; I370-W378 HydrophobicContact CG1-CH2 4.39Å; I370-W378 HydrophobicContact CG1-CZ3 3.65Å; I370-W444 HydrophobicContact CG2-CH2 3.77Å; I370-W444 HydrophobicContact CG2-CZ3 3.73Å; I370-K445 HydrophobicContact CG2-CB 4.36Å; I370-K445 HydrophobicContact CG2-CD 4.11Å; I370-K445 HydrophobicContact CG2-CG 3.93Å; I370-K445 WeakPolarHBondContact O-CD 3.27Å; I370-K445 PolarHBondContact O-NZ 3.14Å; I370-K445 VanDerWaalsContact O-NZ 3.1Å; I370-F493 HydrophobicContact CD1-CB 3.95Å; I370-F493 HydrophobicContact CD1-CD1 3.98Å; I370-F493 HydrophobicContact CD1-CD2 4.16Å; I370-F493 HydrophobicContact CD1-CG 3.75Å
371T95.6Very high96.8Very high14 Ų1435.4 Ų35.49%0.08619%0.191CC..PPolyproline II helixtrans-83.1159.8-179.572.80000112.7Y305 Q369 E373 Q374 I375Y305-T371 WeakPolarHBondContact OH-CG2 3.36Å; Q369-T371 PolarHBondContact O-N 2.84Å; T371-E373 PolarHBondContact O-N 2.94Å; T371-Q374 PolarHBondContact O-N 3.29Å; T371-Q374 WeakPolarHBondContact OG1-CB 3.5Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.19Å; T371-Q374 PolarHBondContact OG1-N 2.89Å; T371-Q374 VanDerWaalsContact OG1-N 3.11Å; T371-Q374 PolarHBondContact OG1-OE1 2.93Å; T371-I375 WeakPolarHBondContact O-CG1 3.27Å; T371-I375 PolarHBondContact O-N 3.45Å; T371-I375 VanDerWaalsContact O-N 3.07Å
372E94.7Very high96.7Very high41 Ų4136.2 Ų36.219%0.19220%0.196CC..Hα-helixtrans-65.5-29.8173.5-76-56.9133.600112.5E309 Y312 K376 K445E309-E372 PolarHBondContact O-N 3.23Å; Y312-E372 HydrophobicContact CD1-CB 3.81Å; Y312-E372 HydrophobicContact CD1-CG 4.3Å; Y312-E372 HydrophobicContact CD2-CB 4.08Å; Y312-E372 HydrophobicContact CE1-CB 4.17Å; Y312-E372 HydrophobicContact CE2-CB 4.43Å; Y312-E372 HydrophobicContact CG-CB 3.78Å; Y312-E372 HydrophobicContact CG-CG 4.1Å; E372-K376 WeakPolarHBondContact O-CD 3.37Å; E372-K376 VanDerWaalsContact O-CG 3.28Å; E372-K376 WeakPolarHBondContact O-CG 3.19Å; E372-K376 PolarHBondContact O-N 3.16Å; E372-K376 VanDerWaalsContact O-N 3.14Å; E372-K445 WeakPolarHBondContact OE1-CE 3.48Å; E372-K445 IonicContact OE1-NZ 2.67Å; E372-K445 PolarHBondContact OE1-NZ 3.1Å
373E93.1Very high96.6Very high108 Ų10836.7 Ų36.751%0.50520%0.199SC..Hα-helixtrans-65.8-49.2173.3-174.4166-160.800111.5T371 I375 K376 V377T371-E373 PolarHBondContact O-N 2.94Å; E373-I375 VanDerWaalsContact C-N 3.31Å; E373-I375 PolarHBondContact O-N 3.33Å; E373-K376 WeakPolarHBondContact O-CB 3.37Å; E373-K376 PolarHBondContact O-N 2.68Å; E373-V377 HydrophobicContact CG-CG2 4.37Å; E373-V377 WeakPolarHBondContact O-CG2 3.46Å; E373-V377 PolarHBondContact O-N 3.36Å
374Q95.8Very high96.4Very high16 Ų1637 Ų378%0.07520%0.202CC..Hα-helixtrans-56.4-45.3175.3-76.3173.4-34.500111.4I370 T371 K376 V377 W378I370-Q374 HydrophobicContact CG1-CB 4.17Å; T371-Q374 PolarHBondContact O-N 3.29Å; T371-Q374 WeakPolarHBondContact OG1-CB 3.5Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.19Å; T371-Q374 PolarHBondContact OG1-N 2.89Å; T371-Q374 VanDerWaalsContact OG1-N 3.11Å; T371-Q374 PolarHBondContact OG1-OE1 2.93Å; Q374-K376 VanDerWaalsContact C-N 3.3Å; Q374-K376 PolarHBondContact O-N 3.49Å; Q374-V377 PolarHBondContact O-N 3.03Å; Q374-W378 HydrophobicContact CB-CD2 4.09Å; Q374-W378 HydrophobicContact CB-CE3 4.13Å; Q374-W378 HydrophobicContact CB-CH2 4.06Å; Q374-W378 HydrophobicContact CB-CZ2 3.98Å; Q374-W378 HydrophobicContact CB-CZ3 4.13Å; Q374-W378 HydrophobicContact CG-CH2 4.22Å; Q374-W378 HydrophobicContact CG-CZ2 3.92Å; Q374-W378 VanDerWaalsContact O-CB 3.24Å; Q374-W378 WeakPolarHBondContact O-CB 3.37Å; Q374-W378 PolarHBondContact O-N 3.24Å
375I96.6Very high96.4Very high27 Ų2737.1 Ų37.114%0.13820%0.203CC..Hα-helixtrans-55.8-45.2175.8-71.4167.8000111.2I370 T371 E373 T379 W444 F493I370-I375 HydrophobicContact CD1-CD1 4.27Å; I370-I375 HydrophobicContact CD1-CG1 3.53Å; I370-I375 HydrophobicContact CG1-CD1 4.43Å; I370-I375 HydrophobicContact CG1-CG1 3.88Å; I370-I375 HydrophobicContact CG2-CD1 4.44Å; T371-I375 WeakPolarHBondContact O-CG1 3.27Å; T371-I375 PolarHBondContact O-N 3.45Å; T371-I375 VanDerWaalsContact O-N 3.07Å; E373-I375 VanDerWaalsContact C-N 3.31Å; E373-I375 PolarHBondContact O-N 3.33Å; I375-T379 WeakPolarHBondContact O-CB 3.38Å; I375-T379 PolarHBondContact O-N 3.4Å; I375-T379 PolarHBondContact O-OG1 3.29Å; I375-W444 HydrophobicContact CD1-CH2 3.81Å; I375-W444 HydrophobicContact CD1-CZ2 4.09Å; I375-F493 HydrophobicContact CB-CE2 4.33Å; I375-F493 HydrophobicContact CG1-CD2 4.2Å; I375-F493 HydrophobicContact CG1-CE2 4.17Å; I375-F493 HydrophobicContact CG2-CE2 3.97Å
376K96.3Very high96.3Very high116 Ų11637.4 Ų37.450%0.50420%0.204SC..Hα-helixtrans-65.3-47.5179.3-71.1164.8-170.5163.70111.4Y312 E372 E373 Q374 A380Y312-K376 VanDerWaalsContact CE2-NZ 3.3Å; E372-K376 WeakPolarHBondContact O-CD 3.37Å; E372-K376 VanDerWaalsContact O-CG 3.28Å; E372-K376 WeakPolarHBondContact O-CG 3.19Å; E372-K376 PolarHBondContact O-N 3.16Å; E372-K376 VanDerWaalsContact O-N 3.14Å; E373-K376 WeakPolarHBondContact O-CB 3.37Å; E373-K376 PolarHBondContact O-N 2.68Å; Q374-K376 VanDerWaalsContact C-N 3.3Å; Q374-K376 PolarHBondContact O-N 3.49Å; K376-A380 VanDerWaalsContact O-CB 3.32Å; K376-A380 WeakPolarHBondContact O-CB 3.28Å; K376-A380 PolarHBondContact O-N 3.27Å; K376-A380 VanDerWaalsContact O-N 3.08Å
377V96.4Very high96.1Very high61 Ų6139.3 Ų39.337%0.3721%0.212SC..Hα-helixtrans-62.2-52.4-179.6173.90000110.4E373 Q374 T379 A380 N381 Q384E373-V377 HydrophobicContact CG-CG2 4.37Å; E373-V377 WeakPolarHBondContact O-CG2 3.46Å; E373-V377 PolarHBondContact O-N 3.36Å; Q374-V377 PolarHBondContact O-N 3.03Å; V377-T379 PolarHBondContact O-N 2.93Å; V377-A380 PolarHBondContact O-N 3.48Å; V377-A380 VanDerWaalsContact O-N 3.16Å; V377-N381 PolarHBondContact O-N 2.97Å; V377-Q384 HydrophobicContact CG1-CB 4.3Å; V377-Q384 HydrophobicContact CG1-CG 3.84Å
378W97.2Very high95.9Very high6 Ų640.3 Ų40.32%0.02322%0.218CC..Hα-helixtrans-68-32.5-177.7-63.1-16000113.5I370 Q374 N381 F385 D388 E389 F493I370-W378 HydrophobicContact CD1-CE3 3.72Å; I370-W378 HydrophobicContact CD1-CZ3 3.43Å; I370-W378 VanDerWaalsContact CD1-CZ3 3.43Å; I370-W378 HydrophobicContact CG1-CE3 4.24Å; I370-W378 HydrophobicContact CG1-CH2 4.39Å; I370-W378 HydrophobicContact CG1-CZ3 3.65Å; Q374-W378 HydrophobicContact CB-CD2 4.09Å; Q374-W378 HydrophobicContact CB-CE3 4.13Å; Q374-W378 HydrophobicContact CB-CH2 4.06Å; Q374-W378 HydrophobicContact CB-CZ2 3.98Å; Q374-W378 HydrophobicContact CB-CZ3 4.13Å; Q374-W378 HydrophobicContact CG-CH2 4.22Å; Q374-W378 HydrophobicContact CG-CZ2 3.92Å; Q374-W378 VanDerWaalsContact O-CB 3.24Å; Q374-W378 WeakPolarHBondContact O-CB 3.37Å; Q374-W378 PolarHBondContact O-N 3.24Å; W378-N381 CarbonylContact O-C 3.58Å; W378-F385 HydrophobicContact CB-CB 3.86Å; W378-F385 HydrophobicContact CB-CD2 4.05Å; W378-F385 HydrophobicContact CB-CG 4.24Å; W378-F385 AromaticContact CD2-CD2 3.62Å; W378-F385 HydrophobicContact CD2-CD2 3.62Å; W378-F385 HydrophobicContact CD2-CE2 4.34Å; W378-F385 AromaticContact CE3-CD2 3.68Å; W378-F385 HydrophobicContact CE3-CD2 3.68Å; W378-F385 AromaticContact CE3-CE2 3.94Å; W378-F385 HydrophobicContact CE3-CE2 3.94Å; W378-F385 HydrophobicContact CG-CB 3.93Å; W378-F385 AromaticContact CG-CD2 3.79Å; W378-F385 HydrophobicContact CG-CD2 3.79Å; W378-F385 HydrophobicContact CG-CG 4.28Å; W378-F385 HydrophobicContact CZ3-CD2 4.28Å; W378-F385 HydrophobicContact CZ3-CE2 4.22Å; W378-D388 HydrophobicContact CZ2-CB 3.95Å; W378-D388 PolarHBondContact NE1-OD2 3.38Å; W378-E389 HydrophobicContact CH2-CG 4.16Å; W378-E389 HydrophobicContact CZ2-CG 4.33Å; W378-F493 HydrophobicContact CB-CE1 3.8Å; W378-F493 HydrophobicContact CB-CZ 3.84Å; W378-F493 HydrophobicContact CD2-CE1 4.46Å; W378-F493 HydrophobicContact CE3-CD1 4.07Å; W378-F493 AromaticContact CE3-CE1 3.75Å; W378-F493 HydrophobicContact CE3-CE1 3.75Å; W378-F493 HydrophobicContact CE3-CZ 4.46Å
379T96.3Very high95.6Very high91 Ų9141.5 Ų41.556%0.55822%0.223SC*.Hα-helixtrans-69.8-36.2173.6-59.30000111.4I375 V377I375-T379 WeakPolarHBondContact O-CB 3.38Å; I375-T379 PolarHBondContact O-N 3.4Å; I375-T379 PolarHBondContact O-OG1 3.29Å; V377-T379 PolarHBondContact O-N 2.93Å
380A96.4Very high95.2Very high88 Ų8844.2 Ų44.273%0.72724%0.238SC*.Hα-helixtrans-79-34179.300000112.9K376 V377K376-A380 VanDerWaalsContact O-CB 3.32Å; K376-A380 WeakPolarHBondContact O-CB 3.28Å; K376-A380 PolarHBondContact O-N 3.27Å; K376-A380 VanDerWaalsContact O-N 3.08Å; V377-A380 PolarHBondContact O-N 3.48Å; V377-A380 VanDerWaalsContact O-N 3.16Å
381N96.1Very high94.4Very high61 Ų6150.2 Ų50.233%0.32627%0.27SS..  trans-131.692.4-177.8-172.53.8000111.2V377 W378 Q383 Q384 F385V377-N381 PolarHBondContact O-N 2.97Å; W378-N381 CarbonylContact O-C 3.58Å; N381-Q383 PolarHBondContact O-N 2.89Å; N381-Q383 WeakPolarHBondContact OD1-CB 3.49Å; N381-Q383 PolarHBondContact OD1-N 3.23Å; N381-Q383 PolarHBondContact OD1-OE1 2.67Å; N381-Q384 HydrophobicContact CB-CB 4.03Å; N381-Q384 WeakPolarHBondContact O-CB 3.41Å; N381-Q384 PolarHBondContact O-N 3.29Å; N381-Q384 VanDerWaalsContact O-N 3.16Å; N381-F385 PolarHBondContact O-N 3.41Å
382P95.3Very high93.7Very high16 Ų1654.1 Ų54.110%0.10429%0.291CS..Hα-helixtrans-63.2-21.4177.3-25.537000114.6V386 P531 I535 F575P382-V386 PolarHBondContact O-N 2.81Å; P382-P531 HydrophobicContact CB-CB 3.88Å; P382-P531 HydrophobicContact CG-CB 3.67Å; P382-P531 HydrophobicContact CG-CG 4.09Å; P382-I535 HydrophobicContact CB-CD1 3.76Å; P382-F575 HydrophobicContact CB-CE1 4Å; P382-F575 HydrophobicContact CG-CE1 4.03Å
383Q95.2Very high93.4Very high36 Ų3653.8 Ų53.817%0.16829%0.291CS..Hα-helixtrans-67.7-46.4172.1-77.168.722.100110.8N381 F385 V386 E387 S576 V579N381-Q383 PolarHBondContact O-N 2.89Å; N381-Q383 WeakPolarHBondContact OD1-CB 3.49Å; N381-Q383 PolarHBondContact OD1-N 3.23Å; N381-Q383 PolarHBondContact OD1-OE1 2.67Å; Q383-F385 PolarHBondContact O-N 2.91Å; Q383-V386 WeakPolarHBondContact O-CA 3.38Å; Q383-V386 WeakPolarHBondContact O-CB 3.16Å; Q383-V386 PolarHBondContact O-N 3.3Å; Q383-E387 PolarHBondContact O-N 2.95Å; Q383-S576 PolarHBondContact NE2-O 2.67Å; Q383-V579 HydrophobicContact CG-CG2 4.19Å
384Q95.1Very high93Very high53 Ų5358.9 Ų58.925%0.24831%0.312CS..Hα-helixtrans-58.4-34.5175.5-161.966.857.500111.9V377 N381 V386 E387 D388V377-Q384 HydrophobicContact CG1-CB 4.3Å; V377-Q384 HydrophobicContact CG1-CG 3.84Å; N381-Q384 HydrophobicContact CB-CB 4.03Å; N381-Q384 WeakPolarHBondContact O-CB 3.41Å; N381-Q384 PolarHBondContact O-N 3.29Å; N381-Q384 VanDerWaalsContact O-N 3.16Å; Q384-V386 VanDerWaalsContact C-N 3.3Å; Q384-V386 PolarHBondContact O-N 3.06Å; Q384-E387 PolarHBondContact NE2-OE2 3.34Å; Q384-E387 PolarHBondContact O-N 3.46Å; Q384-E387 PolarHBondContact OE1-OE2 2.75Å; Q384-D388 PolarHBondContact NE2-OD1 3.21Å; Q384-D388 VanDerWaalsContact O-CB 3.32Å; Q384-D388 WeakPolarHBondContact O-CB 3.3Å; Q384-D388 VanDerWaalsContact O-CG 3.22Å; Q384-D388 PolarHBondContact O-N 3.21Å
385F96.8Very high92.6Very high6 Ų659.5 Ų59.53%0.02632%0.318CS..Hα-helixtrans-63.8-34174.8177.1-121.2000113.1W378 N381 Q383 E389 F493 I535W378-F385 HydrophobicContact CB-CB 3.86Å; W378-F385 HydrophobicContact CB-CD2 4.05Å; W378-F385 HydrophobicContact CB-CG 4.24Å; W378-F385 AromaticContact CD2-CD2 3.62Å; W378-F385 HydrophobicContact CD2-CD2 3.62Å; W378-F385 HydrophobicContact CD2-CE2 4.34Å; W378-F385 AromaticContact CE3-CD2 3.68Å; W378-F385 HydrophobicContact CE3-CD2 3.68Å; W378-F385 AromaticContact CE3-CE2 3.94Å; W378-F385 HydrophobicContact CE3-CE2 3.94Å; W378-F385 HydrophobicContact CG-CB 3.93Å; W378-F385 AromaticContact CG-CD2 3.79Å; W378-F385 HydrophobicContact CG-CD2 3.79Å; W378-F385 HydrophobicContact CG-CG 4.28Å; W378-F385 HydrophobicContact CZ3-CD2 4.28Å; W378-F385 HydrophobicContact CZ3-CE2 4.22Å; N381-F385 PolarHBondContact O-N 3.41Å; Q383-F385 PolarHBondContact O-N 2.91Å; F385-E389 HydrophobicContact CD2-CG 4.07Å; F385-E389 HydrophobicContact CE2-CG 3.76Å; F385-E389 WeakPolarHBondContact O-CB 3.42Å; F385-F493 HydrophobicContact CD2-CE1 4.21Å; F385-F493 HydrophobicContact CE2-CD1 4.14Å; F385-F493 HydrophobicContact CE2-CE1 4.15Å; F385-F493 HydrophobicContact CZ-CD1 4.45Å; F385-I535 HydrophobicContact CD1-CB 4.26Å; F385-I535 HydrophobicContact CD1-CD1 4.12Å; F385-I535 HydrophobicContact CD1-CG2 3.87Å; F385-I535 HydrophobicContact CE1-CB 4.17Å; F385-I535 HydrophobicContact CE1-CG2 3.8Å
386V96.1Very high92.3Very high5 Ų563.9 Ų63.93%0.0333%0.334CS..Hα-helixtrans-70.8-49.4173.7-179.30000109.4P382 Q383 Q384 D388 E389 D390 I535 R539 E578 V579 L582P382-V386 PolarHBondContact O-N 2.81Å; Q383-V386 WeakPolarHBondContact O-CA 3.38Å; Q383-V386 WeakPolarHBondContact O-CB 3.16Å; Q383-V386 PolarHBondContact O-N 3.3Å; Q384-V386 VanDerWaalsContact C-N 3.3Å; Q384-V386 PolarHBondContact O-N 3.06Å; V386-D388 PolarHBondContact O-N 3.4Å; V386-E389 PolarHBondContact O-N 2.62Å; V386-D390 PolarHBondContact O-N 2.81Å; V386-I535 HydrophobicContact CG2-CD1 4.08Å; V386-I535 HydrophobicContact CG2-CG1 4.41Å; V386-I535 HydrophobicContact CG2-CG2 3.67Å; V386-R539 PolarHBondContact O-NH2 3.16Å; V386-E578 HydrophobicContact CB-CB 3.88Å; V386-E578 HydrophobicContact CG1-CB 3.8Å; V386-V579 HydrophobicContact CG2-CG2 3.77Å; V386-L582 HydrophobicContact CG1-CB 4.39Å; V386-L582 HydrophobicContact CG1-CD2 4.35Å; V386-L582 HydrophobicContact CG2-CD2 4.27Å
387E93.8Very high92.1Very high69 Ų6960.2 Ų60.232%0.32232%0.321SS..Hα-helixtrans-57.2-45.4-179.8-67.2170.3-156.100113.4Q383 Q384 E389 T393 E578Q383-E387 PolarHBondContact O-N 2.95Å; Q384-E387 PolarHBondContact NE2-OE2 3.34Å; Q384-E387 PolarHBondContact O-N 3.46Å; Q384-E387 PolarHBondContact OE1-OE2 2.75Å; E387-E389 VanDerWaalsContact C-N 3.34Å; E387-E389 PolarHBondContact O-N 3.48Å; E387-T393 WeakPolarHBondContact O-CB 3.38Å; E387-T393 PolarHBondContact O-OG1 3.05Å; E387-E578 HydrophobicContact CG-CB 4.32Å; E387-E578 HydrophobicContact CG-CG 3.39Å
388D94.3Very high92Very high22 Ų2257.5 Ų57.512%0.11831%0.305CS..Hα-helixtrans-76.2-22.7-175-69.7-0.4000113.1W378 Q384 V386 T393W378-D388 HydrophobicContact CZ2-CB 3.95Å; W378-D388 PolarHBondContact NE1-OD2 3.38Å; Q384-D388 PolarHBondContact NE2-OD1 3.21Å; Q384-D388 VanDerWaalsContact O-CB 3.32Å; Q384-D388 WeakPolarHBondContact O-CB 3.3Å; Q384-D388 VanDerWaalsContact O-CG 3.22Å; Q384-D388 PolarHBondContact O-N 3.21Å; V386-D388 PolarHBondContact O-N 3.4Å; D388-T393 WeakPolarHBondContact CA-OG1 3.34Å
389E91.7Very high92Very high24 Ų2457.4 Ų57.411%0.11230%0.304CS..THydrogen-bonded Turntrans-108.910.1-179-73.7-95.6161.600112.2W378 F385 V386 E387 R399 R497 R539W378-E389 HydrophobicContact CH2-CG 4.16Å; W378-E389 HydrophobicContact CZ2-CG 4.33Å; F385-E389 HydrophobicContact CD2-CG 4.07Å; F385-E389 HydrophobicContact CE2-CG 3.76Å; F385-E389 WeakPolarHBondContact O-CB 3.42Å; V386-E389 PolarHBondContact O-N 2.62Å; E387-E389 VanDerWaalsContact C-N 3.34Å; E387-E389 PolarHBondContact O-N 3.48Å; E389-R399 IonicContact OE1-CZ 3.22Å; E389-R399 IonicContact OE1-NE 3.83Å; E389-R399 IonicContact OE1-NH2 3.97Å; E389-R399 PolarHBondContact OE1-NH2 3.46Å; E389-R497 IonicContact OE1-NH2 3.18Å; E389-R497 PolarHBondContact OE1-NH2 2.86Å; E389-R497 IonicContact OE2-CZ 2.75Å; E389-R497 VanDerWaalsContact OE2-CZ 3.26Å; E389-R497 IonicContact OE2-NH1 2.8Å; E389-R497 PolarHBondContact OE2-NH1 3.29Å; E389-R497 IonicContact OE2-NH2 3.62Å; E389-R497 PolarHBondContact OE2-NH2 3.49Å; E389-R539 VanDerWaalsContact O-CZ 3.27Å; E389-R539 PolarHBondContact O-NH1 3.04Å; E389-R539 PolarHBondContact O-NH2 3.17Å
390D89.7Confident91.9Very high67 Ų6753.9 Ų53.936%0.35828%0.282SS..SBendtrans-75.1152.6167.1-152.1-83.7000110.2V386 D392 R539V386-D390 PolarHBondContact O-N 2.81Å; D390-D392 PolarHBondContact O-N 3.05Å; D390-D392 PolarHBondContact OD1-N 3.15Å; D390-R539 IonicContact OD2-NH2 3.59Å
391D80.6Confident91.9Very high127 Ų12749.7 Ų49.768%0.67925%0.247SC*.THydrogen-bonded Turntrans-71.4-25.3-179.6-66.8-28.7000110.2
392D80.7Confident91.9Very high97 Ų9746.8 Ų46.852%0.51923%0.232SC..THydrogen-bonded Turntrans-96.928177.9-68.3-46.6000114.3D390 F394 Y983D390-D392 PolarHBondContact O-N 3.05Å; D390-D392 PolarHBondContact OD1-N 3.15Å; D392-F394 PolarHBondContact O-N 3.48Å; D392-Y983 PolarHBondContact OD1-OH 3.03Å
393T87.5Confident92Very high33 Ų3347.6 Ų47.620%0.20223%0.234CC..  trans-65.8133.9-174.4-167.50000113.4E387 D388 S395 I400E387-T393 WeakPolarHBondContact O-CB 3.38Å; E387-T393 PolarHBondContact O-OG1 3.05Å; D388-T393 WeakPolarHBondContact CA-OG1 3.34Å; T393-S395 PolarHBondContact OG1-N 2.88Å; T393-S395 PolarHBondContact OG1-OG 3.44Å; T393-I400 HydrophobicContact CG2-CD1 3.77Å; T393-I400 HydrophobicContact CG2-CG1 4.48Å; T393-I400 HydrophobicContact CG2-CG2 4.41Å
394F85.5Confident92Very high215 Ų21548.4 Ų48.494%0.94324%0.239SC*.  trans-80.5-5.9169.1-67.8-75.3000113.1D392D392-F394 PolarHBondContact O-N 3.48Å
395S87Confident92Very high29 Ų2945.9 Ų45.920%0.20323%0.228CC..  trans-73.2138.7177.670.60000110.1T393 I400T393-S395 PolarHBondContact OG1-N 2.88Å; T393-S395 PolarHBondContact OG1-OG 3.44Å; S395-I400 VanDerWaalsContact O-CD1 3.26Å; S395-I400 WeakPolarHBondContact O-CD1 3.35Å; S395-I400 WeakPolarHBondContact OG-CD1 3.43Å
396Y89.4Confident92.1Very high120 Ų12045.6 Ų45.647%0.47123%0.227SC..  trans-125.8105.8177.6-159.2-109.8000109.8F334 A401F334-Y396 HydrophobicContact CD1-CD1 4.2Å; F334-Y396 AromaticContact CD1-CE1 3.59Å; F334-Y396 HydrophobicContact CD1-CE1 3.59Å; F334-Y396 AromaticContact CE1-CD1 3.99Å; F334-Y396 HydrophobicContact CE1-CD1 3.99Å; F334-Y396 AromaticContact CE1-CE1 3.81Å; F334-Y396 HydrophobicContact CE1-CE1 3.81Å; F334-Y396 HydrophobicContact CG-CE1 4.07Å; F334-Y396 HydrophobicContact CZ-CD1 4.3Å; F334-Y396 HydrophobicContact CZ-CE1 4.49Å; Y396-A401 HydrophobicContact CE1-CB 4.27Å; Y396-A401 HydrophobicContact CE2-CB 4.08Å
397T93.2Very high92.1Very high39 Ų3948.5 Ų48.524%0.23924%0.241CC..  trans-128.4162.8-178.166.80000109.9F334 R399 I400 A401F334-T397 VanDerWaalsContact CE1-C 3.48Å; T397-R399 PolarHBondContact O-N 3.26Å; T397-I400 HydrophobicContact CG2-CD1 4.43Å; T397-I400 PolarHBondContact O-N 3.43Å; T397-I400 VanDerWaalsContact O-N 3.08Å; T397-I400 WeakPolarHBondContact OG1-CG1 3.4Å; T397-I400 PolarHBondContact OG1-N 3.29Å; T397-A401 WeakPolarHBondContact O-CB 3.43Å; T397-A401 PolarHBondContact O-N 3.39Å
398V95Very high92.1Very high3 Ų346.2 Ų46.22%0.01823%0.234CC..Hα-helixtrans-56.5-34.3176.5174.60000111.5Y305 E330 V333 F334 F337 Y367 A402Y305-V398 HydrophobicContact CE1-CG1 4.19Å; Y305-V398 HydrophobicContact CE2-CB 3.97Å; Y305-V398 HydrophobicContact CE2-CG1 3.86Å; Y305-V398 HydrophobicContact CE2-CG2 4.15Å; E330-V398 HydrophobicContact CB-CG2 3.9Å; E330-V398 HydrophobicContact CG-CG2 4.12Å; V333-V398 HydrophobicContact CG1-CG1 3.94Å; F334-V398 HydrophobicContact CE1-CB 4.4Å; F334-V398 HydrophobicContact CE1-CG2 3.85Å; F334-V398 HydrophobicContact CZ-CG2 3.81Å; F337-V398 HydrophobicContact CE2-CG1 4.42Å; Y367-V398 HydrophobicContact CD1-CG1 3.6Å; Y367-V398 HydrophobicContact CE1-CG1 4.47Å; Y367-V398 HydrophobicContact CG-CG1 4.19Å; V398-A402 WeakPolarHBondContact O-CB 3.39Å; V398-A402 PolarHBondContact O-N 2.88Å
399R95.6Very high92.2Very high4 Ų445.1 Ų45.12%0.01523%0.229CC..Hα-helixtrans-63.2-47175.5173.8174.8171.3109.1-15.2112.3M368 E389 T397 A402 Q403 E448M368-R399 PolarHBondContact O-NH1 3.42Å; E389-R399 IonicContact OE1-CZ 3.22Å; E389-R399 IonicContact OE1-NE 3.83Å; E389-R399 IonicContact OE1-NH2 3.97Å; E389-R399 PolarHBondContact OE1-NH2 3.46Å; T397-R399 PolarHBondContact O-N 3.26Å; R399-A402 PolarHBondContact O-N 2.86Å; R399-Q403 PolarHBondContact O-N 3.14Å; R399-Q403 VanDerWaalsContact O-N 3.08Å; R399-E448 IonicContact CZ-OE1 2.76Å; R399-E448 IonicContact CZ-OE2 3.4Å; R399-E448 IonicContact NH1-OE1 2.75Å; R399-E448 IonicContact NH1-OE2 3.34Å; R399-E448 PolarHBondContact NH1-OE2 3Å; R399-E448 IonicContact NH2-OE1 3.75Å; R399-E448 PolarHBondContact NH2-OE1 2.76Å; R399-E448 IonicContact NH2-OE2 3.66Å; R399-E448 PolarHBondContact NH2-OE2 3.24Å
400I94.8Very high92.4Very high18 Ų1844.2 Ų44.29%0.09223%0.225CC..Hα-helixtrans-68.6-48.5-179.8-66.1165.3000109.8T393 S395 T397 A402 Q403 D404T393-I400 HydrophobicContact CG2-CD1 3.77Å; T393-I400 HydrophobicContact CG2-CG1 4.48Å; T393-I400 HydrophobicContact CG2-CG2 4.41Å; S395-I400 VanDerWaalsContact O-CD1 3.26Å; S395-I400 WeakPolarHBondContact O-CD1 3.35Å; S395-I400 WeakPolarHBondContact OG-CD1 3.43Å; T397-I400 HydrophobicContact CG2-CD1 4.43Å; T397-I400 PolarHBondContact O-N 3.43Å; T397-I400 VanDerWaalsContact O-N 3.08Å; T397-I400 WeakPolarHBondContact OG1-CG1 3.4Å; T397-I400 PolarHBondContact OG1-N 3.29Å; I400-A402 PolarHBondContact O-N 3.05Å; I400-Q403 CarbonylContact O-C 3.46Å; I400-Q403 WeakPolarHBondContact O-CA 3.22Å; I400-Q403 WeakPolarHBondContact O-CB 3.44Å; I400-Q403 PolarHBondContact O-N 3.23Å; I400-D404 VanDerWaalsContact O-CG 3.29Å; I400-D404 PolarHBondContact O-N 3.1Å
401A95.4Very high92.6Very high0 Ų045.4 Ų45.40%024%0.235CC..Hα-helixtrans-60-33177.800000112.8F334 F337 Y396 T397 L405F334-A401 HydrophobicContact CD1-CB 3.92Å; F334-A401 HydrophobicContact CE1-CB 3.98Å; F337-A401 HydrophobicContact CD2-CB 3.7Å; F337-A401 HydrophobicContact CE2-CB 4.21Å; Y396-A401 HydrophobicContact CE1-CB 4.27Å; Y396-A401 HydrophobicContact CE2-CB 4.08Å; T397-A401 WeakPolarHBondContact O-CB 3.43Å; T397-A401 PolarHBondContact O-N 3.39Å; A401-L405 WeakPolarHBondContact O-CB 3.16Å; A401-L405 PolarHBondContact O-N 3.1Å
402A97.3Very high93.1Very high0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-69.8-38.5172.700000112.3F337 I364 M368 V398 R399 I400 L406F337-A402 HydrophobicContact CE2-CB 3.78Å; F337-A402 HydrophobicContact CZ-CB 3.95Å; I364-A402 HydrophobicContact CG2-CB 4.24Å; I364-A402 VanDerWaalsContact CG2-O 3.23Å; I364-A402 WeakPolarHBondContact CG2-O 3.14Å; M368-A402 HydrophobicContact CG-CB 3.67Å; V398-A402 WeakPolarHBondContact O-CB 3.39Å; V398-A402 PolarHBondContact O-N 2.88Å; R399-A402 PolarHBondContact O-N 2.86Å; I400-A402 PolarHBondContact O-N 3.05Å; A402-L406 PolarHBondContact O-N 3.25Å
403Q96.2Very high93.8Very high33 Ų3337 Ų3715%0.15419%0.19CC..Hα-helixtrans-65-44173.4-177174.3-17.800111.3M368 R399 I400 L405 L406 L407M368-Q403 HydrophobicContact CE-CB 3.99Å; M368-Q403 HydrophobicContact CE-CG 4.15Å; R399-Q403 PolarHBondContact O-N 3.14Å; R399-Q403 VanDerWaalsContact O-N 3.08Å; I400-Q403 CarbonylContact O-C 3.46Å; I400-Q403 WeakPolarHBondContact O-CA 3.22Å; I400-Q403 WeakPolarHBondContact O-CB 3.44Å; I400-Q403 PolarHBondContact O-N 3.23Å; Q403-L405 VanDerWaalsContact C-N 3.31Å; Q403-L405 PolarHBondContact O-N 3.45Å; Q403-L406 WeakPolarHBondContact O-CA 3.17Å; Q403-L406 VanDerWaalsContact O-CB 3.31Å; Q403-L406 WeakPolarHBondContact O-CB 3.17Å; Q403-L406 PolarHBondContact O-N 3.05Å; Q403-L406 VanDerWaalsContact O-N 3.08Å; Q403-L407 HydrophobicContact CG-CD1 4.39Å; Q403-L407 WeakPolarHBondContact O-CG 3.17Å; Q403-L407 PolarHBondContact O-N 3.42Å
404D95.2Very high94Very high52 Ų5241.1 Ų41.128%0.27821%0.206SC..Hα-helixtrans-59.7-43.2176.3-62.3-19.8000111.2I400 L406 L407 A408I400-D404 VanDerWaalsContact O-CG 3.29Å; I400-D404 PolarHBondContact O-N 3.1Å; D404-L406 VanDerWaalsContact C-N 3.33Å; D404-L406 PolarHBondContact O-N 3.21Å; D404-L407 PolarHBondContact O-N 3.13Å; D404-A408 WeakPolarHBondContact O-CB 3.2Å; D404-A408 PolarHBondContact O-N 3.34Å
405L96.7Very high94.4Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-64.6-38.5175.4-177.358.7000111.8F337 V340 L344 I364 A401 Q403 A408 V409F337-L405 HydrophobicContact CB-CD2 4.32Å; F337-L405 HydrophobicContact CD1-CD2 3.55Å; F337-L405 HydrophobicContact CE1-CD2 4.07Å; F337-L405 HydrophobicContact CG-CD2 4.05Å; V340-L405 HydrophobicContact CB-CD1 4.04Å; V340-L405 HydrophobicContact CB-CD2 4.26Å; V340-L405 HydrophobicContact CG1-CD1 3.7Å; V340-L405 HydrophobicContact CG1-CD2 4.29Å; L344-L405 HydrophobicContact CD1-CD1 4.16Å; I364-L405 HydrophobicContact CD1-CB 4.45Å; I364-L405 HydrophobicContact CD1-CD2 3.83Å; I364-L405 HydrophobicContact CD1-CG 3.82Å; I364-L405 HydrophobicContact CG1-CD2 4.12Å; A401-L405 WeakPolarHBondContact O-CB 3.16Å; A401-L405 PolarHBondContact O-N 3.1Å; Q403-L405 VanDerWaalsContact C-N 3.31Å; Q403-L405 PolarHBondContact O-N 3.45Å; L405-A408 PolarHBondContact O-N 2.83Å; L405-V409 HydrophobicContact CD1-CG1 4.37Å; L405-V409 WeakPolarHBondContact O-CG2 3.13Å; L405-V409 PolarHBondContact O-N 3.03Å
406L97.7Very high94.7Very high1 Ų135.8 Ų35.81%0.00518%0.183CC..Hα-helixtrans-60.9-46.1173.6179.263.3000111.3I361 I364 M368 A402 Q403 D404 V409 A410 L421 A453I361-L406 HydrophobicContact CD1-CD1 4.44Å; I361-L406 HydrophobicContact CG1-CD1 4.25Å; I361-L406 HydrophobicContact CG2-CD1 4.28Å; I364-L406 HydrophobicContact CG2-CB 4.05Å; M368-L406 HydrophobicContact CE-CD2 4.09Å; M368-L406 HydrophobicContact SD-CD2 3.89Å; A402-L406 PolarHBondContact O-N 3.25Å; Q403-L406 WeakPolarHBondContact O-CA 3.17Å; Q403-L406 VanDerWaalsContact O-CB 3.31Å; Q403-L406 WeakPolarHBondContact O-CB 3.17Å; Q403-L406 PolarHBondContact O-N 3.05Å; Q403-L406 VanDerWaalsContact O-N 3.08Å; D404-L406 VanDerWaalsContact C-N 3.33Å; D404-L406 PolarHBondContact O-N 3.21Å; L406-V409 HydrophobicContact CD1-CG2 4.39Å; L406-V409 WeakPolarHBondContact O-CG2 3.43Å; L406-V409 PolarHBondContact O-N 3.47Å; L406-A410 WeakPolarHBondContact O-CB 3.49Å; L406-A410 PolarHBondContact O-N 3.07Å; L406-L421 HydrophobicContact CD1-CD1 4.33Å; L406-A453 HydrophobicContact CD2-CB 3.66Å
407L95.9Very high95Very high65 Ų6530.2 Ų30.234%0.3416%0.162SC..Hα-helixtrans-63-46178.5-68.5174.8000110.5Q403 D404 V409 A410 T411 V457Q403-L407 HydrophobicContact CG-CD1 4.39Å; Q403-L407 WeakPolarHBondContact O-CG 3.17Å; Q403-L407 PolarHBondContact O-N 3.42Å; D404-L407 PolarHBondContact O-N 3.13Å; L407-V409 PolarHBondContact O-N 2.97Å; L407-A410 WeakPolarHBondContact O-CB 3.37Å; L407-A410 PolarHBondContact O-N 3.16Å; L407-A410 VanDerWaalsContact O-N 3.11Å; L407-T411 PolarHBondContact O-N 2.88Å; L407-T411 PolarHBondContact O-OG1 3.08Å; L407-T411 VanDerWaalsContact O-OG1 3.09Å; L407-V457 HydrophobicContact CD2-CG1 4.04Å
408A95.2Very high95.1Very high21 Ų2128.5 Ų28.517%0.17415%0.151CC..Hα-helixtrans-58.5-47.8177.300000112.5H341 L344 D404 L405 A410 T411 D412H341-A408 VanDerWaalsContact CE1-CB 3.49Å; H341-A408 WeakPolarHBondContact CE1-CB 3.18Å; L344-A408 HydrophobicContact CD1-CB 4.21Å; D404-A408 WeakPolarHBondContact O-CB 3.2Å; D404-A408 PolarHBondContact O-N 3.34Å; L405-A408 PolarHBondContact O-N 2.83Å; A408-A410 VanDerWaalsContact C-N 3.31Å; A408-A410 PolarHBondContact O-N 3.48Å; A408-T411 PolarHBondContact O-N 3.45Å; A408-D412 WeakPolarHBondContact O-CB 3.25Å; A408-D412 PolarHBondContact O-N 3.24Å
409V96Very high95.1Very high0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-68.2-31.3176.6-60.50000112.3L344 L357 L360 I361 L405 L406 L407 F413 S417L344-V409 HydrophobicContact CD1-CG1 3.69Å; L344-V409 HydrophobicContact CD2-CG1 4.28Å; L357-V409 HydrophobicContact CD1-CB 3.91Å; L357-V409 HydrophobicContact CD1-CG1 4.32Å; L357-V409 HydrophobicContact CD1-CG2 4.09Å; L360-V409 HydrophobicContact CD2-CG1 4.41Å; I361-V409 HydrophobicContact CD1-CG2 4.32Å; I361-V409 HydrophobicContact CG1-CG2 4.34Å; L405-V409 HydrophobicContact CD1-CG1 4.37Å; L405-V409 WeakPolarHBondContact O-CG2 3.13Å; L405-V409 PolarHBondContact O-N 3.03Å; L406-V409 HydrophobicContact CD1-CG2 4.39Å; L406-V409 WeakPolarHBondContact O-CG2 3.43Å; L406-V409 PolarHBondContact O-N 3.47Å; L407-V409 PolarHBondContact O-N 2.97Å; V409-F413 HydrophobicContact CB-CD2 4.16Å; V409-F413 HydrophobicContact CB-CE2 4.46Å; V409-F413 WeakPolarHBondContact O-CD2 3.4Å; V409-F413 PolarHBondContact O-N 3.37Å; V409-S417 PolarHBondContact O-OG 3.05Å
410A95.3Very high95.2Very high4 Ų430.6 Ų30.63%0.03317%0.17CC..Hα-helixtrans-68.6-43.5177.600000111.6L406 L407 A408 Q414 V457 I460L406-A410 WeakPolarHBondContact O-CB 3.49Å; L406-A410 PolarHBondContact O-N 3.07Å; L407-A410 WeakPolarHBondContact O-CB 3.37Å; L407-A410 PolarHBondContact O-N 3.16Å; L407-A410 VanDerWaalsContact O-N 3.11Å; A408-A410 VanDerWaalsContact C-N 3.31Å; A408-A410 PolarHBondContact O-N 3.48Å; A410-Q414 WeakPolarHBondContact O-CA 3.36Å; A410-Q414 PolarHBondContact O-N 3.29Å; A410-V457 HydrophobicContact CB-CB 4.42Å; A410-V457 HydrophobicContact CB-CG1 3.48Å; A410-V457 VanDerWaalsContact CB-CG1 3.48Å; A410-I460 HydrophobicContact CB-CD1 3.9Å; A410-I460 WeakPolarHBondContact O-CD1 3.4Å
411T93.5Very high95.3Very high93 Ų9329.9 Ų29.957%0.57117%0.166SC*.Hα-helixtrans-61.6-46.1173.7-600000111.1L407 A408L407-T411 PolarHBondContact O-N 2.88Å; L407-T411 PolarHBondContact O-OG1 3.08Å; L407-T411 VanDerWaalsContact O-OG1 3.09Å; A408-T411 PolarHBondContact O-N 3.45Å
412D92.2Very high95.4Very high36 Ų3630.2 Ų30.219%0.19317%0.169CC..Hα-helixtrans-76.4-28.1-173.2-102.7-1.8000115.3K350 A408 K978K350-D412 VanDerWaalsContact CE-OD2 3.29Å; K350-D412 WeakPolarHBondContact CE-OD2 3.27Å; K350-D412 IonicContact NZ-OD1 3.62Å; K350-D412 PolarHBondContact NZ-OD1 3.43Å; K350-D412 IonicContact NZ-OD2 3.04Å; K350-D412 PolarHBondContact NZ-OD2 3.15Å; A408-D412 WeakPolarHBondContact O-CB 3.25Å; A408-D412 PolarHBondContact O-N 3.24Å; D412-K978 IonicContact OD1-NZ 3.97Å; D412-K978 PolarHBondContact OD1-NZ 3.43Å
413F94.8Very high95.3Very high12 Ų1233 Ų335%0.05319%0.191CC..Hα-helixtrans-122.4-1.9-176.8-53-62000114.9L344 K350 V353 K354 L357 V409 N415 E416 S417L344-F413 HydrophobicContact CD2-CE2 3.52Å; L344-F413 HydrophobicContact CD2-CZ 3.68Å; K350-F413 HydrophobicContact CD-CE1 4.29Å; K350-F413 HydrophobicContact CG-CE1 3.56Å; K350-F413 HydrophobicContact CG-CZ 3.74Å; V353-F413 HydrophobicContact CB-CE2 4.46Å; V353-F413 HydrophobicContact CB-CZ 4.28Å; V353-F413 HydrophobicContact CG1-CE2 4.07Å; V353-F413 HydrophobicContact CG1-CZ 4.37Å; K354-F413 HydrophobicContact CB-CD1 4.21Å; K354-F413 HydrophobicContact CB-CE1 3.68Å; K354-F413 HydrophobicContact CB-CZ 3.91Å; K354-F413 HydrophobicContact CD-CD1 4.12Å; K354-F413 HydrophobicContact CD-CE1 4.19Å; K354-F413 HydrophobicContact CG-CD1 4.1Å; K354-F413 HydrophobicContact CG-CE1 4.08Å; L357-F413 HydrophobicContact CD1-CD2 3.94Å; L357-F413 HydrophobicContact CD1-CE2 4.33Å; L357-F413 HydrophobicContact CD2-CB 4.11Å; L357-F413 HydrophobicContact CD2-CD2 3.99Å; L357-F413 HydrophobicContact CD2-CG 4.26Å; V409-F413 HydrophobicContact CB-CD2 4.16Å; V409-F413 HydrophobicContact CB-CE2 4.46Å; V409-F413 WeakPolarHBondContact O-CD2 3.4Å; V409-F413 PolarHBondContact O-N 3.37Å; F413-N415 PolarHBondContact O-N 3.17Å; F413-E416 HydrophobicContact CB-CB 4.29Å; F413-E416 PolarHBondContact O-N 3.45Å; F413-S417 WeakPolarHBondContact CB-OG 3.19Å
414Q93Very high95.4Very high118 Ų11831.6 Ų31.655%0.55119%0.186SC*.THydrogen-bonded Turntrans43.5-107.6171-57.1-179.77.900114A410 E416 S417 A418 I460A410-Q414 WeakPolarHBondContact O-CA 3.36Å; A410-Q414 PolarHBondContact O-N 3.29Å; Q414-E416 VanDerWaalsContact C-N 3.32Å; Q414-E416 PolarHBondContact O-N 3.19Å; Q414-S417 WeakPolarHBondContact O-CB 3.31Å; Q414-S417 PolarHBondContact O-N 3.33Å; Q414-S417 VanDerWaalsContact O-N 3.14Å; Q414-A418 PolarHBondContact O-N 2.9Å; Q414-I460 WeakPolarHBondContact O-CG2 3.4Å
415N92.3Very high95.5Very high48 Ų4829.1 Ų29.126%0.25717%0.173SC..Hα-helixtrans-61.7-36.1-174.4-61.5-64.1000112.9F413 A418 A419 S464 R469F413-N415 PolarHBondContact O-N 3.17Å; N415-A418 VanDerWaalsContact O-CB 3.32Å; N415-A418 WeakPolarHBondContact O-CB 3.49Å; N415-A418 PolarHBondContact O-N 3.03Å; N415-A419 PolarHBondContact O-N 3.48Å; N415-S464 PolarHBondContact OD1-OG 2.86Å; N415-R469 VanDerWaalsContact OD1-CD 3.22Å; N415-R469 WeakPolarHBondContact OD1-CD 3.25Å; N415-R469 PolarHBondContact OD1-NH1 3.33Å
416E94Very high95.5Very high84 Ų8431.8 Ų31.839%0.39319%0.189SC..Hα-helixtrans-66.4-40176.8-70.392.8135.400111.4K354 L357 F413 Q414 A418 A419 A420K354-E416 WeakPolarHBondContact CE-OE1 3.48Å; K354-E416 IonicContact NZ-OE1 2.72Å; K354-E416 PolarHBondContact NZ-OE1 3Å; L357-E416 HydrophobicContact CD2-CB 4.09Å; F413-E416 HydrophobicContact CB-CB 4.29Å; F413-E416 PolarHBondContact O-N 3.45Å; Q414-E416 VanDerWaalsContact C-N 3.32Å; Q414-E416 PolarHBondContact O-N 3.19Å; E416-A418 VanDerWaalsContact C-N 3.34Å; E416-A419 PolarHBondContact O-N 3.45Å; E416-A420 WeakPolarHBondContact O-CB 3.4Å; E416-A420 PolarHBondContact O-N 2.71Å
417S95.6Very high95.4Very high4 Ų436.5 Ų36.53%0.02821%0.207CC..Hα-helixtrans-65.2-38.7172.2-73.40000111.6V409 F413 Q414 A419 A420 L421V409-S417 PolarHBondContact O-OG 3.05Å; F413-S417 WeakPolarHBondContact CB-OG 3.19Å; Q414-S417 WeakPolarHBondContact O-CB 3.31Å; Q414-S417 PolarHBondContact O-N 3.33Å; Q414-S417 VanDerWaalsContact O-N 3.14Å; S417-A419 PolarHBondContact O-N 2.82Å; S417-A420 PolarHBondContact O-N 3.09Å; S417-L421 WeakPolarHBondContact O-CB 3.47Å; S417-L421 PolarHBondContact O-N 3.4Å
418A95.5Very high95.5Very high2 Ų233.6 Ų33.62%0.01719%0.192CC..Hα-helixtrans-59.1-46.7175.500000112.1Q414 N415 E416 A422 I460 I461 I470Q414-A418 PolarHBondContact O-N 2.9Å; N415-A418 VanDerWaalsContact O-CB 3.32Å; N415-A418 WeakPolarHBondContact O-CB 3.49Å; N415-A418 PolarHBondContact O-N 3.03Å; E416-A418 VanDerWaalsContact C-N 3.34Å; A418-A422 VanDerWaalsContact O-CB 3.28Å; A418-A422 WeakPolarHBondContact O-CB 3.48Å; A418-A422 PolarHBondContact O-N 3.07Å; A418-I460 HydrophobicContact CB-CG2 3.74Å; A418-I461 HydrophobicContact CB-CD1 4.02Å; A418-I470 HydrophobicContact CB-CD1 4.15Å; A418-I470 HydrophobicContact CB-CG2 4.32Å
419A95.8Very high95.5Very high46 Ų4633.7 Ų33.738%0.3819%0.189SC..Hα-helixtrans-65.7-44.417900000111.7N415 E416 S417 A423 I470N415-A419 PolarHBondContact O-N 3.48Å; E416-A419 PolarHBondContact O-N 3.45Å; S417-A419 PolarHBondContact O-N 2.82Å; A419-A423 WeakPolarHBondContact O-CB 3.21Å; A419-A423 PolarHBondContact O-N 3.48Å; A419-A423 VanDerWaalsContact O-N 3.08Å; A419-I470 HydrophobicContact CB-CG2 3.77Å
420A96.8Very high95.5Very high6 Ų639.4 Ų39.45%0.0522%0.215CC..Hα-helixtrans-62.9-45.2177.300000111.8L357 P358 I361 E416 S417 A423 A424L357-A420 HydrophobicContact CD2-CB 4.38Å; L357-A420 HydrophobicContact CG-CB 4.06Å; P358-A420 HydrophobicContact CB-CB 4.4Å; P358-A420 HydrophobicContact CG-CB 4.36Å; I361-A420 HydrophobicContact CD1-CB 3.72Å; E416-A420 WeakPolarHBondContact O-CB 3.4Å; E416-A420 PolarHBondContact O-N 2.71Å; S417-A420 PolarHBondContact O-N 3.09Å; A420-A423 PolarHBondContact O-N 3.04Å; A420-A424 WeakPolarHBondContact O-CB 3.41Å; A420-A424 PolarHBondContact O-N 3.02Å
421L97.7Very high95.5Very high3 Ų342 Ų422%0.01623%0.227CC..Hα-helixtrans-64.8-45.4177.7179.661.4000112.5I361 I365 L406 S417 A423 A424 A425 A453 L454 V457 I461I361-L421 HydrophobicContact CD1-CB 4.49Å; I361-L421 HydrophobicContact CG2-CB 4.14Å; I361-L421 HydrophobicContact CG2-CD1 3.63Å; I365-L421 HydrophobicContact CD1-CD1 3.9Å; I365-L421 HydrophobicContact CG1-CD1 4.47Å; L406-L421 HydrophobicContact CD1-CD1 4.33Å; S417-L421 WeakPolarHBondContact O-CB 3.47Å; S417-L421 PolarHBondContact O-N 3.4Å; L421-A423 VanDerWaalsContact C-N 3.28Å; L421-A423 PolarHBondContact O-N 2.76Å; L421-A424 PolarHBondContact O-N 2.93Å; L421-A425 VanDerWaalsContact O-CB 3.31Å; L421-A425 WeakPolarHBondContact O-CB 3.36Å; L421-A425 PolarHBondContact O-N 3.06Å; L421-A453 HydrophobicContact CD1-CB 3.94Å; L421-L454 HydrophobicContact CD2-CD2 4.07Å; L421-L454 HydrophobicContact CG-CD2 3.94Å; L421-V457 HydrophobicContact CD2-CG2 3.12Å; L421-I461 HydrophobicContact CD2-CD1 4.23Å; L421-I461 HydrophobicContact CD2-CG1 4.45Å
422A96.1Very high95.6Very high6 Ų637.8 Ų37.85%0.0520%0.201CC..Hα-helixtrans-58.2-42.1176.100000111.8A418 T426 I470 F472A418-A422 VanDerWaalsContact O-CB 3.28Å; A418-A422 WeakPolarHBondContact O-CB 3.48Å; A418-A422 PolarHBondContact O-N 3.07Å; A422-T426 WeakPolarHBondContact O-CB 3.32Å; A422-T426 PolarHBondContact O-N 3.47Å; A422-T426 VanDerWaalsContact O-N 3.07Å; A422-T426 PolarHBondContact O-OG1 2.89Å; A422-I470 HydrophobicContact CB-CD1 4.2Å; A422-F472 HydrophobicContact CB-CB 4.01Å; A422-F472 HydrophobicContact CB-CD2 3.64Å; A422-F472 HydrophobicContact CB-CE2 4.42Å; A422-F472 HydrophobicContact CB-CG 4.05Å
423A96.3Very high95.6Very high58 Ų5839.7 Ų39.748%0.47921%0.209SC..Hα-helixtrans-67.6-46.1177.200000112.2A419 A420 L421 T426 R427A419-A423 WeakPolarHBondContact O-CB 3.21Å; A419-A423 PolarHBondContact O-N 3.48Å; A419-A423 VanDerWaalsContact O-N 3.08Å; A420-A423 PolarHBondContact O-N 3.04Å; L421-A423 VanDerWaalsContact C-N 3.28Å; L421-A423 PolarHBondContact O-N 2.76Å; A423-T426 PolarHBondContact O-N 3Å; A423-R427 WeakPolarHBondContact O-CB 3.48Å; A423-R427 PolarHBondContact O-N 2.87Å
424A97.6Very high95.5Very high5 Ų545.6 Ų45.64%0.04124%0.237CC..Hα-helixtrans-62.5-46.917900000112I361 I365 A420 L421 T426 R427 H428I361-A424 HydrophobicContact CG2-CB 3.97Å; I365-A424 HydrophobicContact CD1-CB 3.88Å; A420-A424 WeakPolarHBondContact O-CB 3.41Å; A420-A424 PolarHBondContact O-N 3.02Å; L421-A424 PolarHBondContact O-N 2.93Å; A424-T426 PolarHBondContact O-N 3.26Å; A424-R427 PolarHBondContact O-N 3.39Å; A424-H428 PolarHBondContact O-CD2 3.15Å; A424-H428 PolarHBondContact O-N 2.92Å
425A97.2Very high95.4Very high0 Ų042.5 Ų42.50%023%0.226CC..Hα-helixtrans-61.4-45176.200000111.6L421 R427 H428 L429 C450 L454L421-A425 VanDerWaalsContact O-CB 3.31Å; L421-A425 WeakPolarHBondContact O-CB 3.36Å; L421-A425 PolarHBondContact O-N 3.06Å; A425-R427 VanDerWaalsContact C-N 3.3Å; A425-R427 PolarHBondContact O-N 3.42Å; A425-H428 PolarHBondContact O-N 3.33Å; A425-L429 WeakPolarHBondContact O-CB 3.47Å; A425-L429 WeakPolarHBondContact O-CD1 3.21Å; A425-L429 WeakPolarHBondContact O-CG 3.41Å; A425-L429 PolarHBondContact O-N 2.98Å; A425-C450 HydrophobicContact CB-CB 4.44Å; A425-L454 HydrophobicContact CB-CD1 3.89Å; A425-L454 HydrophobicContact CB-CD2 4.39Å; A425-L454 HydrophobicContact CB-CG 4.18Å
426T96.2Very high95.4Very high56 Ų5643.1 Ų43.134%0.34423%0.226SC..Hα-helixtrans-59.3-42.5176.9-590000111.7A422 A423 A424 Q430A422-T426 WeakPolarHBondContact O-CB 3.32Å; A422-T426 PolarHBondContact O-N 3.47Å; A422-T426 VanDerWaalsContact O-N 3.07Å; A422-T426 PolarHBondContact O-OG1 2.89Å; A423-T426 PolarHBondContact O-N 3Å; A424-T426 PolarHBondContact O-N 3.26Å; T426-Q430 VanDerWaalsContact O-CG 3.29Å; T426-Q430 WeakPolarHBondContact O-CG 3.35Å; T426-Q430 PolarHBondContact O-N 3.25Å; T426-Q430 VanDerWaalsContact O-N 3.17Å
427R96.9Very high95.3Very high100 Ų10045 Ų4538%0.37724%0.239SC..Hα-helixtrans-64.2-50.3177.4178.9178.3171.3-172.2-6.1111.5E359 Y362 A423 A424 A425 L429 Q430 E431E359-R427 IonicContact OE1-NH1 3.93Å; Y362-R427 HydrophobicContact CD2-CG 4.39Å; Y362-R427 HydrophobicContact CE2-CG 3.93Å; A423-R427 WeakPolarHBondContact O-CB 3.48Å; A423-R427 PolarHBondContact O-N 2.87Å; A424-R427 PolarHBondContact O-N 3.39Å; A425-R427 VanDerWaalsContact C-N 3.3Å; A425-R427 PolarHBondContact O-N 3.42Å; R427-L429 VanDerWaalsContact C-N 3.34Å; R427-L429 PolarHBondContact O-N 3.06Å; R427-Q430 PolarHBondContact O-N 2.97Å; R427-E431 WeakPolarHBondContact CG-OE1 3.42Å; R427-E431 IonicContact CZ-OE1 3.64Å; R427-E431 IonicContact NE-OE1 2.65Å; R427-E431 PolarHBondContact NE-OE1 2.96Å; R427-E431 IonicContact NH2-OE1 3.32Å; R427-E431 WeakPolarHBondContact O-CG 3.14Å; R427-E431 PolarHBondContact O-N 2.69Å
428H97.6Very high95.1Very high4 Ų448.8 Ų48.82%0.01927%0.266CS..Hα-helixtrans-59-43.1178.6-84.9-51.5000112.5Y362 A424 A425 Q430 E431 A432 I446Y362-H428 AromaticContact CD2-CD2 3.73Å; Y362-H428 AromaticContact CD2-CE1 3.52Å; Y362-H428 AromaticContact CD2-NE2 3.23Å; Y362-H428 WeakPolarHBondContact CD2-NE2 3.23Å; Y362-H428 AromaticContact CE1-CE1 3.9Å; Y362-H428 AromaticContact CE2-CD2 3.91Å; Y362-H428 AromaticContact CE2-CE1 3.1Å; Y362-H428 WeakPolarHBondContact CE2-CE1 3.45Å; Y362-H428 AromaticContact CE2-CG 3.97Å; Y362-H428 AromaticContact CE2-ND1 3.51Å; Y362-H428 AromaticContact CE2-NE2 3.37Å; Y362-H428 WeakPolarHBondContact CE2-NE2 3.42Å; Y362-H428 AromaticContact CG-NE2 3.67Å; Y362-H428 AromaticContact CZ-CE1 3.32Å; Y362-H428 AromaticContact CZ-ND1 3.93Å; Y362-H428 AromaticContact CZ-NE2 3.91Å; Y362-H428 PolarHBondContact O-NE2 3.46Å; A424-H428 PolarHBondContact O-CD2 3.15Å; A424-H428 PolarHBondContact O-N 2.92Å; A425-H428 PolarHBondContact O-N 3.33Å; H428-Q430 VanDerWaalsContact C-N 3.32Å; H428-Q430 PolarHBondContact O-N 3.41Å; H428-E431 IonicContact ND1-OE2 2.93Å; H428-E431 PolarHBondContact O-N 3.44Å; H428-A432 VanDerWaalsContact O-CB 3.28Å; H428-A432 WeakPolarHBondContact O-CB 3.2Å; H428-A432 PolarHBondContact O-N 3.11Å; H428-I446 HydrophobicContact CB-CG1 3.85Å
429L96.3Very high94.6Very high22 Ų2251.7 Ų51.712%0.11530%0.296CS..Hα-helixtrans-63.3-36.7177.2-69.2167.6000112.4A425 R427 E433 C450 F477 V481A425-L429 WeakPolarHBondContact O-CB 3.47Å; A425-L429 WeakPolarHBondContact O-CD1 3.21Å; A425-L429 WeakPolarHBondContact O-CG 3.41Å; A425-L429 PolarHBondContact O-N 2.98Å; R427-L429 VanDerWaalsContact C-N 3.34Å; R427-L429 PolarHBondContact O-N 3.06Å; L429-E433 PolarHBondContact O-N 3Å; L429-E433 VanDerWaalsContact O-N 3.09Å; L429-C450 HydrophobicContact CD2-CB 4.28Å; L429-C450 HydrophobicContact CG-CB 4.4Å; L429-F477 HydrophobicContact CD1-CD2 4.02Å; L429-F477 HydrophobicContact CD1-CE2 4.14Å; L429-V481 HydrophobicContact CD1-CG1 4.49Å; L429-V481 HydrophobicContact CD1-CG2 4.22Å; L429-V481 HydrophobicContact CD2-CG1 3.71Å
430Q95.4Very high94.1Very high120 Ų12052.6 Ų52.656%0.56130%0.297SS*.Hα-helixtrans-69.1-41.2174.4-71.8172.87.600112.4T426 R427 H428 E433 Q434T426-Q430 VanDerWaalsContact O-CG 3.29Å; T426-Q430 WeakPolarHBondContact O-CG 3.35Å; T426-Q430 PolarHBondContact O-N 3.25Å; T426-Q430 VanDerWaalsContact O-N 3.17Å; R427-Q430 PolarHBondContact O-N 2.97Å; H428-Q430 VanDerWaalsContact C-N 3.32Å; H428-Q430 PolarHBondContact O-N 3.41Å; Q430-E433 PolarHBondContact O-N 3.12Å; Q430-Q434 WeakPolarHBondContact O-CG 3.45Å; Q430-Q434 PolarHBondContact O-N 3.4Å
431E95.4Very high93.6Very high59 Ų5959.7 Ų59.728%0.27633%0.329SS..Hα-helixtrans-64.1-43.8175.7-70.7171.7-177.300110.4Y362 R427 H428 E433 Q434 T435Y362-E431 PolarHBondContact OH-OE1 2.81Å; Y362-E431 PolarHBondContact OH-OE2 3.45Å; R427-E431 WeakPolarHBondContact CG-OE1 3.42Å; R427-E431 IonicContact CZ-OE1 3.64Å; R427-E431 IonicContact NE-OE1 2.65Å; R427-E431 PolarHBondContact NE-OE1 2.96Å; R427-E431 IonicContact NH2-OE1 3.32Å; R427-E431 WeakPolarHBondContact O-CG 3.14Å; R427-E431 PolarHBondContact O-N 2.69Å; H428-E431 IonicContact ND1-OE2 2.93Å; H428-E431 PolarHBondContact O-N 3.44Å; E431-E433 PolarHBondContact O-N 2.81Å; E431-Q434 WeakPolarHBondContact O-CB 3.29Å; E431-Q434 PolarHBondContact O-N 3.39Å; E431-Q434 VanDerWaalsContact O-N 3.11Å; E431-T435 PolarHBondContact O-N 2.67Å; E431-T435 PolarHBondContact O-OG1 3.03Å; E431-T435 VanDerWaalsContact O-OG1 3.1Å
432A94.5Very high93.3Very high4 Ų461.8 Ų61.83%0.03334%0.338CS..Hα-helixtrans-59.3-42.5176.400000113H428 Q434 T435 K436 I446H428-A432 VanDerWaalsContact O-CB 3.28Å; H428-A432 WeakPolarHBondContact O-CB 3.2Å; H428-A432 PolarHBondContact O-N 3.11Å; A432-Q434 VanDerWaalsContact C-N 3.28Å; A432-Q434 PolarHBondContact O-N 2.93Å; A432-T435 WeakPolarHBondContact O-CB 3.48Å; A432-T435 PolarHBondContact O-N 3.47Å; A432-K436 WeakPolarHBondContact O-CB 3.4Å; A432-K436 PolarHBondContact O-N 3.37Å; A432-I446 HydrophobicContact CB-CG2 3.27Å
433E92.5Very high93.2Very high76 Ų7662.5 Ų62.536%0.35534%0.34SS..Hα-helixtrans-63.8-35.9177.2-176.856.1-148.400111.1L429 Q430 E431 K436 N437L429-E433 PolarHBondContact O-N 3Å; L429-E433 VanDerWaalsContact O-N 3.09Å; Q430-E433 PolarHBondContact O-N 3.12Å; E431-E433 PolarHBondContact O-N 2.81Å; E433-K436 IonicContact OE2-NZ 3.59Å; E433-N437 WeakPolarHBondContact O-CB 3.46Å; E433-N437 VanDerWaalsContact O-CG 3.32Å; E433-N437 PolarHBondContact O-N 2.91Å; E433-N437 PolarHBondContact O-ND2 2.83Å; E433-N437 PolarHBondContact OE1-ND2 3.45Å
434Q93.3Very high93.2Very high137 Ų13760.8 Ų60.864%0.6432%0.321SS*.Hα-helixtrans-66.1-44172.7-64.6173.624.500111.4Q430 E431 A432 N437 S438Q430-Q434 WeakPolarHBondContact O-CG 3.45Å; Q430-Q434 PolarHBondContact O-N 3.4Å; E431-Q434 WeakPolarHBondContact O-CB 3.29Å; E431-Q434 PolarHBondContact O-N 3.39Å; E431-Q434 VanDerWaalsContact O-N 3.11Å; A432-Q434 VanDerWaalsContact C-N 3.28Å; A432-Q434 PolarHBondContact O-N 2.93Å; Q434-N437 PolarHBondContact O-N 2.91Å; Q434-S438 PolarHBondContact O-N 3.05Å
435T91.1Very high93.2Very high52 Ų5260.6 Ų60.632%0.31932%0.319SS..Hα-helixtrans-62-42.7177.3-56.10000111.7E431 A432 S438 G439 T440 W443E431-T435 PolarHBondContact O-N 2.67Å; E431-T435 PolarHBondContact O-OG1 3.03Å; E431-T435 VanDerWaalsContact O-OG1 3.1Å; A432-T435 WeakPolarHBondContact O-CB 3.48Å; A432-T435 PolarHBondContact O-N 3.47Å; T435-S438 WeakPolarHBondContact O-CB 3.32Å; T435-S438 PolarHBondContact O-N 2.87Å; T435-S438 VanDerWaalsContact O-N 3.13Å; T435-S438 PolarHBondContact O-OG 3.49Å; T435-G439 PolarHBondContact O-N 2.55Å; T435-T440 VanDerWaalsContact CG2-CB 3.47Å; T435-T440 HydrophobicContact CG2-CG2 3.81Å; T435-T440 PolarHBondContact O-N 2.91Å; T435-W443 HydrophobicContact CG2-CB 4.21Å
436K91.2Very high93.2Very high61 Ų6161.2 Ų61.227%0.26532%0.322SS..Hα-helixtrans-59.2-47.6173.1-178.3-179.5-178.6178.70112A432 E433 S438 G439 W443A432-K436 WeakPolarHBondContact O-CB 3.4Å; A432-K436 PolarHBondContact O-N 3.37Å; E433-K436 IonicContact OE2-NZ 3.59Å; K436-S438 PolarHBondContact O-N 3.21Å; K436-G439 PolarHBondContact O-N 3.33Å; K436-W443 HydrophobicContact CB-CB 4.15Å; K436-W443 HydrophobicContact CB-CD2 3.85Å; K436-W443 HydrophobicContact CB-CE3 4.45Å; K436-W443 HydrophobicContact CB-CG 3.66Å; K436-W443 HydrophobicContact CD-CD2 3.85Å; K436-W443 HydrophobicContact CD-CE3 4.02Å; K436-W443 HydrophobicContact CD-CH2 4.1Å; K436-W443 HydrophobicContact CD-CZ2 3.87Å; K436-W443 HydrophobicContact CD-CZ3 4.16Å; K436-W443 HydrophobicContact CG-CD2 3.89Å; K436-W443 HydrophobicContact CG-CG 4.08Å; K436-W443 HydrophobicContact CG-CZ2 4.28Å
437N91.6Very high93.3Very high123 Ų12358.9 Ų58.966%0.65831%0.308SS*.Hα-helixtrans-64.5-23.1176.7-75.6-52.7000113.3E433 Q434 G439E433-N437 WeakPolarHBondContact O-CB 3.46Å; E433-N437 VanDerWaalsContact O-CG 3.32Å; E433-N437 PolarHBondContact O-N 2.91Å; E433-N437 PolarHBondContact O-ND2 2.83Å; E433-N437 PolarHBondContact OE1-ND2 3.45Å; Q434-N437 PolarHBondContact O-N 2.91Å; N437-G439 VanDerWaalsContact C-N 3.34Å
438S91.4Very high93.3Very high85 Ų8554.2 Ų54.259%0.59429%0.29SS*.THydrogen-bonded Turntrans-81.6-9.8174800000114.4Q434 T435 K436 T440Q434-S438 PolarHBondContact O-N 3.05Å; T435-S438 WeakPolarHBondContact O-CB 3.32Å; T435-S438 PolarHBondContact O-N 2.87Å; T435-S438 VanDerWaalsContact O-N 3.13Å; T435-S438 PolarHBondContact O-OG 3.49Å; K436-S438 PolarHBondContact O-N 3.21Å; S438-T440 PolarHBondContact OG-OG1 3.18Å
439G86.2Confident93.3Very high62 Ų6254 Ų5464%0.63929%0.289SS*.THydrogen-bonded Turntrans87.211.9178.100000115.3T435 K436 N437T435-G439 PolarHBondContact O-N 2.55Å; K436-G439 PolarHBondContact O-N 3.33Å; N437-G439 VanDerWaalsContact C-N 3.34Å
440T84.3Confident93.4Very high65 Ų6553 Ų5340%0.39928%0.284SS..  trans-69.9139.7172.3-52.50000110.4T435 S438 W443T435-T440 VanDerWaalsContact CG2-CB 3.47Å; T435-T440 HydrophobicContact CG2-CG2 3.81Å; T435-T440 PolarHBondContact O-N 2.91Å; S438-T440 PolarHBondContact OG-OG1 3.18Å; T440-W443 VanDerWaalsContact O-CD1 3.29Å
441E86Confident93.5Very high155 Ų15547.3 Ų47.372%0.72426%0.257SS*.THydrogen-bonded Turntrans-80.1-29.2-171.4-63.7-174.8167.200114.2W443E441-W443 PolarHBondContact O-N 2.89Å
442H92.4Very high93.6Very high47 Ų4744.6 Ų44.622%0.21825%0.245CC..THydrogen-bonded Turntrans-88.66-168.5-52.3-73.6000115.6N311 W444 K445N311-H442 WeakPolarHBondContact OD1-CB 3.36Å; N311-H442 PolarHBondContact OD1-ND1 3.18Å; H442-W444 PolarHBondContact O-N 3.15Å; H442-K445 PolarHBondContact O-N 3.03Å; H442-K445 VanDerWaalsContact O-N 3.1Å
443W94.7Very high93.8Very high21 Ų2144.4 Ų44.48%0.0824%0.243CC..Hα-helixtrans-55.7-26.9-178.568.6-91000113.2T435 K436 T440 E441 K445 I446 H447 L488 V490 L494T435-W443 HydrophobicContact CG2-CB 4.21Å; K436-W443 HydrophobicContact CB-CB 4.15Å; K436-W443 HydrophobicContact CB-CD2 3.85Å; K436-W443 HydrophobicContact CB-CE3 4.45Å; K436-W443 HydrophobicContact CB-CG 3.66Å; K436-W443 HydrophobicContact CD-CD2 3.85Å; K436-W443 HydrophobicContact CD-CE3 4.02Å; K436-W443 HydrophobicContact CD-CH2 4.1Å; K436-W443 HydrophobicContact CD-CZ2 3.87Å; K436-W443 HydrophobicContact CD-CZ3 4.16Å; K436-W443 HydrophobicContact CG-CD2 3.89Å; K436-W443 HydrophobicContact CG-CG 4.08Å; K436-W443 HydrophobicContact CG-CZ2 4.28Å; T440-W443 VanDerWaalsContact O-CD1 3.29Å; E441-W443 PolarHBondContact O-N 2.89Å; W443-K445 VanDerWaalsContact C-N 3.27Å; W443-K445 PolarHBondContact O-N 3.01Å; W443-I446 WeakPolarHBondContact O-CG2 3.42Å; W443-H447 AromaticContact CE3-CD2 3.9Å; W443-H447 AromaticContact CE3-NE2 3.88Å; W443-H447 AromaticContact CZ3-CE1 3.65Å; W443-H447 AromaticContact CZ3-CG 3.85Å; W443-H447 AromaticContact CZ3-ND1 3.61Å; W443-H447 AromaticContact CZ3-NE2 3.92Å; W443-L488 HydrophobicContact CH2-CD1 3.58Å; W443-L488 HydrophobicContact CZ2-CD1 4.03Å; W443-V490 HydrophobicContact CH2-CG2 4.37Å; W443-V490 HydrophobicContact CZ2-CG1 4.14Å; W443-V490 HydrophobicContact CZ2-CG2 4.14Å; W443-L494 HydrophobicContact CH2-CD2 4.39Å
444W95.8Very high94.1Very high23 Ų2340.8 Ų40.89%0.08723%0.226CC..Hα-helixtrans-70.4-22.6-177.364.5-94.4000113.2I370 I375 H442 I446 H447 E448 V490 S491 F493 L494I370-W444 HydrophobicContact CG2-CH2 3.77Å; I370-W444 HydrophobicContact CG2-CZ3 3.73Å; I375-W444 HydrophobicContact CD1-CH2 3.81Å; I375-W444 HydrophobicContact CD1-CZ2 4.09Å; H442-W444 PolarHBondContact O-N 3.15Å; W444-I446 VanDerWaalsContact C-N 3.33Å; W444-I446 PolarHBondContact O-N 3.39Å; W444-H447 WeakPolarHBondContact O-CB 3.39Å; W444-H447 PolarHBondContact O-N 3.04Å; W444-E448 PolarHBondContact O-N 2.99Å; W444-V490 HydrophobicContact CB-CG2 4.11Å; W444-V490 HydrophobicContact CG-CG2 4.41Å; W444-S491 WeakPolarHBondContact CH2-OG 3.15Å; W444-S491 VanDerWaalsContact CZ3-OG 3.28Å; W444-S491 WeakPolarHBondContact CZ3-OG 3.47Å; W444-F493 HydrophobicContact CZ3-CB 4.3Å; W444-L494 HydrophobicContact CB-CD2 3.93Å; W444-L494 HydrophobicContact CE3-CB 3.96Å
445K97.2Very high94.2Very high0 Ų034.2 Ų34.20%020%0.196CC..Hα-helixtrans-66.5-35.7-178.8-65.1-169.7173.2-159.10112.1V310 Q369 I370 E372 H442 W443 E448 A449V310-K445 HydrophobicContact CG1-CD 3.62Å; V310-K445 PolarHBondContact O-NZ 3.08Å; Q369-K445 HydrophobicContact CB-CB 4.45Å; Q369-K445 HydrophobicContact CG-CB 4.43Å; I370-K445 HydrophobicContact CG2-CB 4.36Å; I370-K445 HydrophobicContact CG2-CD 4.11Å; I370-K445 HydrophobicContact CG2-CG 3.93Å; I370-K445 WeakPolarHBondContact O-CD 3.27Å; I370-K445 PolarHBondContact O-NZ 3.14Å; I370-K445 VanDerWaalsContact O-NZ 3.1Å; E372-K445 WeakPolarHBondContact OE1-CE 3.48Å; E372-K445 IonicContact OE1-NZ 2.67Å; E372-K445 PolarHBondContact OE1-NZ 3.1Å; H442-K445 PolarHBondContact O-N 3.03Å; H442-K445 VanDerWaalsContact O-N 3.1Å; W443-K445 VanDerWaalsContact C-N 3.27Å; W443-K445 PolarHBondContact O-N 3.01Å; K445-E448 WeakPolarHBondContact O-CB 3.36Å; K445-E448 PolarHBondContact O-N 3.46Å; K445-A449 WeakPolarHBondContact O-CB 3.41Å; K445-A449 PolarHBondContact O-N 3.02Å
446I97.4Very high94.4Very high13 Ų1333.1 Ų33.17%0.06719%0.19CC..Hα-helixtrans-74.4-31.4175.9-158.469.4000112.1I365 L366 Q369 H428 A432 W443 W444 A449 C450I365-I446 HydrophobicContact CG2-CD1 3.86Å; L366-I446 HydrophobicContact CD2-CD1 3.84Å; Q369-I446 HydrophobicContact CG-CD1 3.97Å; H428-I446 HydrophobicContact CB-CG1 3.85Å; A432-I446 HydrophobicContact CB-CG2 3.27Å; W443-I446 WeakPolarHBondContact O-CG2 3.42Å; W444-I446 VanDerWaalsContact C-N 3.33Å; W444-I446 PolarHBondContact O-N 3.39Å; I446-A449 PolarHBondContact O-N 3.02Å; I446-C450 WeakPolarHBondContact O-CB 3.44Å; I446-C450 PolarHBondContact O-N 3.24Å; I446-C450 PolarHBondContact O-SG 3.45Å
447H97.6Very high94.5Very high8 Ų830.8 Ų30.84%0.03718%0.181CC..Hα-helixtrans-60.9-47.8169.7-84-138.1000110.4W443 W444 A449 C450 M451 D485 L494W443-H447 AromaticContact CE3-CD2 3.9Å; W443-H447 AromaticContact CE3-NE2 3.88Å; W443-H447 AromaticContact CZ3-CE1 3.65Å; W443-H447 AromaticContact CZ3-CG 3.85Å; W443-H447 AromaticContact CZ3-ND1 3.61Å; W443-H447 AromaticContact CZ3-NE2 3.92Å; W444-H447 WeakPolarHBondContact O-CB 3.39Å; W444-H447 PolarHBondContact O-N 3.04Å; H447-A449 PolarHBondContact O-N 3.46Å; H447-C450 PolarHBondContact O-N 3.26Å; H447-M451 HydrophobicContact CB-CE 4.41Å; H447-M451 VanDerWaalsContact O-CG 3.3Å; H447-M451 WeakPolarHBondContact O-CG 3.27Å; H447-M451 PolarHBondContact O-N 2.91Å; H447-D485 IonicContact CE1-OD1 3.87Å; H447-D485 IonicContact CE1-OD2 3.87Å; H447-D485 IonicContact CG-OD2 3.16Å; H447-D485 IonicContact ND1-OD1 3.76Å; H447-D485 IonicContact ND1-OD2 2.97Å; H447-D485 PolarHBondContact ND1-OD2 2.65Å; H447-L494 HydrophobicContact CB-CD1 3.89Å
448E97.5Very high94.6Very high2 Ų227 Ų271%0.00916%0.158CC..Hα-helixtrans-57.5-48.3176.2-168.8-74.5150.700111.5R399 W444 K445 C450 M451 L452 L494 R497R399-E448 IonicContact CZ-OE1 2.76Å; R399-E448 IonicContact CZ-OE2 3.4Å; R399-E448 IonicContact NH1-OE1 2.75Å; R399-E448 IonicContact NH1-OE2 3.34Å; R399-E448 PolarHBondContact NH1-OE2 3Å; R399-E448 IonicContact NH2-OE1 3.75Å; R399-E448 PolarHBondContact NH2-OE1 2.76Å; R399-E448 IonicContact NH2-OE2 3.66Å; R399-E448 PolarHBondContact NH2-OE2 3.24Å; W444-E448 PolarHBondContact O-N 2.99Å; K445-E448 WeakPolarHBondContact O-CB 3.36Å; K445-E448 PolarHBondContact O-N 3.46Å; E448-C450 PolarHBondContact O-N 3.01Å; E448-M451 WeakPolarHBondContact O-CB 3.35Å; E448-M451 PolarHBondContact O-N 3.38Å; E448-L452 PolarHBondContact O-N 3.13Å; E448-L494 HydrophobicContact CB-CD1 4.16Å; E448-R497 HydrophobicContact CG-CB 3.78Å; E448-R497 HydrophobicContact CG-CG 3.91Å; E448-R497 IonicContact OE1-CZ 2.8Å; E448-R497 VanDerWaalsContact OE1-CZ 3.3Å; E448-R497 IonicContact OE1-NE 3.53Å; E448-R497 PolarHBondContact OE1-NE 3.27Å; E448-R497 IonicContact OE1-NH2 2.76Å; E448-R497 PolarHBondContact OE1-NH2 3.46Å
449A98.2Very high94.5Very high0 Ų026.3 Ų26.30%016%0.158CC..Hα-helixtrans-64.1-39.4178.200000113I365 M368 Q369 K445 I446 H447 M451 L452 A453I365-A449 HydrophobicContact CG2-CB 4.12Å; M368-A449 HydrophobicContact CB-CB 4.31Å; Q369-A449 HydrophobicContact CG-CB 3.76Å; K445-A449 WeakPolarHBondContact O-CB 3.41Å; K445-A449 PolarHBondContact O-N 3.02Å; I446-A449 PolarHBondContact O-N 3.02Å; H447-A449 PolarHBondContact O-N 3.46Å; A449-M451 VanDerWaalsContact C-N 3.33Å; A449-M451 PolarHBondContact O-N 3.13Å; A449-L452 PolarHBondContact O-N 3.26Å; A449-A453 WeakPolarHBondContact O-CB 3.43Å; A449-A453 PolarHBondContact O-N 3.22Å
450C98.4Very high94.8Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-63.5-40.5175-71.90000111.7A425 L429 I446 H447 E448 L454A425-C450 HydrophobicContact CB-CB 4.44Å; L429-C450 HydrophobicContact CD2-CB 4.28Å; L429-C450 HydrophobicContact CG-CB 4.4Å; I446-C450 WeakPolarHBondContact O-CB 3.44Å; I446-C450 PolarHBondContact O-N 3.24Å; I446-C450 PolarHBondContact O-SG 3.45Å; H447-C450 PolarHBondContact O-N 3.26Å; E448-C450 PolarHBondContact O-N 3.01Å; C450-L454 WeakPolarHBondContact O-CB 3.43Å; C450-L454 WeakPolarHBondContact O-CG 3.32Å; C450-L454 PolarHBondContact O-N 2.86Å
451M97.9Very high95.3Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-65.1-43.2175.6-70.9177.2-160.200111.4H447 E448 A449 G455 F477 V481 I482 D485 L494 R497 A498 A501H447-M451 HydrophobicContact CB-CE 4.41Å; H447-M451 VanDerWaalsContact O-CG 3.3Å; H447-M451 WeakPolarHBondContact O-CG 3.27Å; H447-M451 PolarHBondContact O-N 2.91Å; E448-M451 WeakPolarHBondContact O-CB 3.35Å; E448-M451 PolarHBondContact O-N 3.38Å; A449-M451 VanDerWaalsContact C-N 3.33Å; A449-M451 PolarHBondContact O-N 3.13Å; M451-G455 PolarHBondContact O-N 3.42Å; M451-F477 HydrophobicContact CG-CZ 4.14Å; M451-V481 HydrophobicContact CE-CG1 4.04Å; M451-I482 HydrophobicContact CE-CG1 4.12Å; M451-I482 HydrophobicContact CG-CG1 4.45Å; M451-I482 HydrophobicContact SD-CG1 4.36Å; M451-D485 HydrophobicContact CE-CB 4.26Å; M451-D485 WeakPolarHBondContact CE-OD2 3.44Å; M451-L494 HydrophobicContact CE-CD1 4.21Å; M451-R497 HydrophobicContact CB-CG 3.62Å; M451-R497 HydrophobicContact SD-CG 4.19Å; M451-A498 HydrophobicContact CE-CB 4.36Å; M451-A498 HydrophobicContact SD-CB 3.97Å; M451-A501 HydrophobicContact CB-CB 3.87Å; M451-A501 HydrophobicContact CG-CB 4.25Å
452L97.6Very high95.5Very high2 Ų216.2 Ų16.21%0.019%0.092CC..Hα-helixtrans-59.1-53.5174176.363.3000110.9M368 E448 A449 L454 G455 S456 W500M368-L452 HydrophobicContact CE-CB 4.35Å; M368-L452 HydrophobicContact CE-CD2 3.65Å; M368-L452 HydrophobicContact CE-CG 3.66Å; E448-L452 PolarHBondContact O-N 3.13Å; A449-L452 PolarHBondContact O-N 3.26Å; L452-L454 PolarHBondContact O-N 2.83Å; L452-G455 PolarHBondContact O-N 3.07Å; L452-S456 WeakPolarHBondContact O-CB 3.45Å; L452-S456 PolarHBondContact O-N 3.43Å; L452-S456 PolarHBondContact O-OG 3.03Å; L452-W500 HydrophobicContact CD1-CH2 4.04Å; L452-W500 HydrophobicContact CD1-CZ3 4.41Å
453A98.1Very high95.4Very high0 Ų017.3 Ų17.30%010%0.1CC..Hα-helixtrans-58.9-49.7-177.300000112.1I365 M368 L406 L421 A449 S456 V457I365-A453 HydrophobicContact CG1-CB 4.1Å; M368-A453 HydrophobicContact CE-CB 3.93Å; M368-A453 HydrophobicContact SD-CB 3.94Å; L406-A453 HydrophobicContact CD2-CB 3.66Å; L421-A453 HydrophobicContact CD1-CB 3.94Å; A449-A453 WeakPolarHBondContact O-CB 3.43Å; A449-A453 PolarHBondContact O-N 3.22Å; A453-S456 PolarHBondContact O-N 3.38Å; A453-V457 WeakPolarHBondContact O-CG2 3.29Å
454L97.4Very high95.3Very high0 Ų016.3 Ų16.30%010%0.096CC..Hα-helixtrans-64.1-43.7177.6-72.7167.7000111.9L421 A425 C450 L452 S456 V457 K458 I461 F472 F477 F505L421-L454 HydrophobicContact CD2-CD2 4.07Å; L421-L454 HydrophobicContact CG-CD2 3.94Å; A425-L454 HydrophobicContact CB-CD1 3.89Å; A425-L454 HydrophobicContact CB-CD2 4.39Å; A425-L454 HydrophobicContact CB-CG 4.18Å; C450-L454 WeakPolarHBondContact O-CB 3.43Å; C450-L454 WeakPolarHBondContact O-CG 3.32Å; C450-L454 PolarHBondContact O-N 2.86Å; L452-L454 PolarHBondContact O-N 2.83Å; L454-S456 VanDerWaalsContact C-N 3.33Å; L454-S456 PolarHBondContact O-N 3.49Å; L454-V457 CarbonylContact O-C 3.47Å; L454-V457 PolarHBondContact O-N 3.37Å; L454-K458 PolarHBondContact O-N 3.43Å; L454-I461 HydrophobicContact CD2-CD1 4.24Å; L454-I461 HydrophobicContact CD2-CG1 4.27Å; L454-F472 HydrophobicContact CD1-CE2 4.46Å; L454-F472 HydrophobicContact CD1-CZ 3.77Å; L454-F472 HydrophobicContact CD2-CZ 4.31Å; L454-F477 HydrophobicContact CD1-CD1 4.45Å; L454-F477 HydrophobicContact CD1-CD2 4.32Å; L454-F477 HydrophobicContact CD1-CE1 3.88Å; L454-F477 HydrophobicContact CD1-CE2 3.74Å; L454-F477 HydrophobicContact CD1-CZ 3.49Å; L454-F477 VanDerWaalsContact CD1-CZ 3.49Å; L454-F505 HydrophobicContact CB-CE2 4.39Å; L454-F505 HydrophobicContact CB-CZ 4.03Å; L454-F505 WeakPolarHBondContact O-CZ 3.14Å
455G95.8Very high95Very high0 Ų017.1 Ų17.10%010%0.103CC..Hα-helixtrans-67.6-30.7-178.800000113.8M451 L452 V457 K458M451-G455 PolarHBondContact O-N 3.42Å; L452-G455 PolarHBondContact O-N 3.07Å; G455-V457 VanDerWaalsContact C-N 3.35Å; G455-K458 WeakPolarHBondContact O-CB 3.5Å; G455-K458 PolarHBondContact O-N 2.96Å
456S95.1Very high94.6Very high29 Ų2924.9 Ų24.920%0.20314%0.137CC..Hα-helixtrans-66.7-36.7177.8-56.60000111.5L452 A453 L454L452-S456 WeakPolarHBondContact O-CB 3.45Å; L452-S456 PolarHBondContact O-N 3.43Å; L452-S456 PolarHBondContact O-OG 3.03Å; A453-S456 PolarHBondContact O-N 3.38Å; L454-S456 VanDerWaalsContact C-N 3.33Å; L454-S456 PolarHBondContact O-N 3.49Å
457V94.5Very high94.2Very high11 Ų1128.1 Ų28.17%0.06716%0.155CC..THydrogen-bonded Turntrans-104.837.2177.9-62.60000112.7L407 A410 L421 A453 L454 G455 A459 I460 I461L407-V457 HydrophobicContact CD2-CG1 4.04Å; A410-V457 HydrophobicContact CB-CB 4.42Å; A410-V457 HydrophobicContact CB-CG1 3.48Å; A410-V457 VanDerWaalsContact CB-CG1 3.48Å; L421-V457 HydrophobicContact CD2-CG2 3.12Å; A453-V457 WeakPolarHBondContact O-CG2 3.29Å; L454-V457 CarbonylContact O-C 3.47Å; L454-V457 PolarHBondContact O-N 3.37Å; G455-V457 VanDerWaalsContact C-N 3.35Å; V457-A459 PolarHBondContact O-N 2.98Å; V457-A459 VanDerWaalsContact O-N 3.14Å; V457-I460 PolarHBondContact O-N 3.18Å; V457-I461 HydrophobicContact CG2-CG1 3.86Å; V457-I461 PolarHBondContact O-N 3.5Å; V457-I461 VanDerWaalsContact O-N 3.13Å
458K92.4Very high93.7Very high44 Ų4430.1 Ų30.119%0.19118%0.177CC..Hα-helixtrans-50.9-41.2-17472.1-179.3-179177.10113.6L454 G455 T462 R504 F505L454-K458 PolarHBondContact O-N 3.43Å; G455-K458 WeakPolarHBondContact O-CB 3.5Å; G455-K458 PolarHBondContact O-N 2.96Å; K458-T462 VanDerWaalsContact O-CB 3.22Å; K458-T462 WeakPolarHBondContact O-CB 3.31Å; K458-T462 PolarHBondContact O-N 3.41Å; K458-T462 PolarHBondContact O-OG1 2.78Å; K458-R504 HydrophobicContact CB-CB 4.24Å; K458-R504 HydrophobicContact CD-CB 4.26Å; K458-F505 HydrophobicContact CB-CE1 4.28Å
459A90.8Very high93.2Very high70 Ų7036.2 Ų36.258%0.57920%0.2SC*.Hα-helixtrans-66.4-50.1-172.900000110.7V457 T462 D463V457-A459 PolarHBondContact O-N 2.98Å; V457-A459 VanDerWaalsContact O-N 3.14Å; A459-T462 PolarHBondContact O-N 3.34Å; A459-D463 WeakPolarHBondContact O-CB 3.03Å; A459-D463 PolarHBondContact O-N 3.45Å
460I92.2Very high92.8Very high41 Ų4136.9 Ų36.921%0.2120%0.204CC..Hα-helixtrans-65-44.1-179.6-57.8170.9000110.4A410 Q414 A418 V457 S464A410-I460 HydrophobicContact CB-CD1 3.9Å; A410-I460 WeakPolarHBondContact O-CD1 3.4Å; Q414-I460 WeakPolarHBondContact O-CG2 3.4Å; A418-I460 HydrophobicContact CB-CG2 3.74Å; V457-I460 PolarHBondContact O-N 3.18Å; I460-S464 WeakPolarHBondContact O-CB 3.5Å; I460-S464 PolarHBondContact O-N 2.93Å; I460-S464 PolarHBondContact O-OG 3.17Å
461I93.4Very high92.2Very high1 Ų146.2 Ų46.21%0.00525%0.247CC..Hα-helixtrans-62.2-48.7177.5-68.1-58.4000110.9A418 L421 L454 V457 S464 V465 I470 M474 F505A418-I461 HydrophobicContact CB-CD1 4.02Å; L421-I461 HydrophobicContact CD2-CD1 4.23Å; L421-I461 HydrophobicContact CD2-CG1 4.45Å; L454-I461 HydrophobicContact CD2-CD1 4.24Å; L454-I461 HydrophobicContact CD2-CG1 4.27Å; V457-I461 HydrophobicContact CG2-CG1 3.86Å; V457-I461 PolarHBondContact O-N 3.5Å; V457-I461 VanDerWaalsContact O-N 3.13Å; I461-S464 PolarHBondContact O-N 2.89Å; I461-V465 HydrophobicContact CG2-CG2 4.42Å; I461-V465 WeakPolarHBondContact O-CB 3.35Å; I461-V465 VanDerWaalsContact O-CG2 3.29Å; I461-V465 WeakPolarHBondContact O-CG2 3.48Å; I461-V465 PolarHBondContact O-N 2.9Å; I461-I470 HydrophobicContact CD1-CD1 4.22Å; I461-M474 HydrophobicContact CG2-CE 3.54Å; I461-F505 HydrophobicContact CB-CE1 4.42Å; I461-F505 HydrophobicContact CG2-CE1 4.03Å
462T90.8Very high91.9Very high28 Ų2847.1 Ų47.117%0.17225%0.251CS..Hα-helixtrans-65.2-45.1-176.5-57.80000111.4K458 A459 V465 K466 V507K458-T462 VanDerWaalsContact O-CB 3.22Å; K458-T462 WeakPolarHBondContact O-CB 3.31Å; K458-T462 PolarHBondContact O-N 3.41Å; K458-T462 PolarHBondContact O-OG1 2.78Å; A459-T462 PolarHBondContact O-N 3.34Å; T462-V465 PolarHBondContact O-N 3.01Å; T462-K466 WeakPolarHBondContact O-CB 3.44Å; T462-K466 PolarHBondContact O-N 3.28Å; T462-V507 HydrophobicContact CG2-CB 4.13Å; T462-V507 HydrophobicContact CG2-CG1 4.09Å
463D91.1Very high91.6Very high70 Ų7052.2 Ų52.237%0.37428%0.278SS..Hα-helixtrans-62.7-44.3176.5-174.763.1000111.6A459 V465 K466 N467 R469A459-D463 WeakPolarHBondContact O-CB 3.03Å; A459-D463 PolarHBondContact O-N 3.45Å; D463-V465 PolarHBondContact O-N 3.06Å; D463-K466 PolarHBondContact O-N 2.99Å; D463-N467 VanDerWaalsContact O-CB 3.3Å; D463-N467 WeakPolarHBondContact O-CB 3.23Å; D463-N467 PolarHBondContact O-N 3.1Å; D463-N467 PolarHBondContact O-ND2 3.03Å; D463-N467 VanDerWaalsContact O-ND2 3.12Å; D463-N467 PolarHBondContact OD1-ND2 3.46Å; D463-N467 PolarHBondContact OD2-ND2 3.47Å; D463-R469 IonicContact OD2-CZ 3.8Å; D463-R469 IonicContact OD2-NH1 3.24Å; D463-R469 PolarHBondContact OD2-NH1 2.86Å; D463-R469 IonicContact OD2-NH2 3.95Å
464S91.5Very high91.3Very high0 Ų052.7 Ų52.70%028%0.28CS..Hα-helixtrans-64-40.7-179.8-64.20000112.7N415 I460 I461 G468 R469 I470N415-S464 PolarHBondContact OD1-OG 2.86Å; I460-S464 WeakPolarHBondContact O-CB 3.5Å; I460-S464 PolarHBondContact O-N 2.93Å; I460-S464 PolarHBondContact O-OG 3.17Å; I461-S464 PolarHBondContact O-N 2.89Å; S464-G468 PolarHBondContact O-N 2.99Å; S464-R469 PolarHBondContact O-N 3.15Å; S464-I470 PolarHBondContact O-N 3.24Å
465V90.1Very high91.1Very high40 Ų4058.2 Ų58.224%0.24231%0.306CS..Hα-helixtrans-68.5-47.5176.2172.30000110.6I461 T462 D463 N467 G468 I470 F472 M474I461-V465 HydrophobicContact CG2-CG2 4.42Å; I461-V465 WeakPolarHBondContact O-CB 3.35Å; I461-V465 VanDerWaalsContact O-CG2 3.29Å; I461-V465 WeakPolarHBondContact O-CG2 3.48Å; I461-V465 PolarHBondContact O-N 2.9Å; T462-V465 PolarHBondContact O-N 3.01Å; D463-V465 PolarHBondContact O-N 3.06Å; V465-N467 VanDerWaalsContact C-N 3.29Å; V465-N467 PolarHBondContact O-N 3.25Å; V465-G468 PolarHBondContact O-N 3.29Å; V465-I470 HydrophobicContact CG2-CD1 3.86Å; V465-I470 HydrophobicContact CG2-CG1 3.76Å; V465-F472 HydrophobicContact CG2-CB 4.06Å; V465-M474 HydrophobicContact CG1-CB 4.49Å
466K88.1Confident90.9Very high163 Ų16358.5 Ų58.571%0.70931%0.309SS*.Hα-helixtrans-60.7-38.9-178.8-175.8179.3177.5-177.10112.1T462 D463 G468T462-K466 WeakPolarHBondContact O-CB 3.44Å; T462-K466 PolarHBondContact O-N 3.28Å; D463-K466 PolarHBondContact O-N 2.99Å; K466-G468 VanDerWaalsContact C-N 3.27Å; K466-G468 PolarHBondContact O-N 3.39Å
467N89.2Confident91Very high82 Ų8257.5 Ų57.544%0.43930%0.301SS..THydrogen-bonded Turntrans-84.11.8178.1-65.7-35.7000113.6D463 V465 R469D463-N467 VanDerWaalsContact O-CB 3.3Å; D463-N467 WeakPolarHBondContact O-CB 3.23Å; D463-N467 PolarHBondContact O-N 3.1Å; D463-N467 PolarHBondContact O-ND2 3.03Å; D463-N467 VanDerWaalsContact O-ND2 3.12Å; D463-N467 PolarHBondContact OD1-ND2 3.46Å; D463-N467 PolarHBondContact OD2-ND2 3.47Å; V465-N467 VanDerWaalsContact C-N 3.29Å; V465-N467 PolarHBondContact O-N 3.25Å; N467-R469 HydrophobicContact CB-CG 4.06Å; N467-R469 PolarHBondContact ND2-NH2 3.15Å; N467-R469 VanDerWaalsContact ND2-NH2 3.14Å; N467-R469 PolarHBondContact O-N 2.8Å
468G86.6Confident91Very high50 Ų5057 Ų5752%0.51530%0.298SS..THydrogen-bonded Turntrans66.621.4179.200000114.3S464 V465 K466S464-G468 PolarHBondContact O-N 2.99Å; V465-G468 PolarHBondContact O-N 3.29Å; K466-G468 VanDerWaalsContact C-N 3.27Å; K466-G468 PolarHBondContact O-N 3.39Å
469R88Confident91.1Very high130 Ų13056.3 Ų56.349%0.49130%0.298SS..SBendtrans-76.8-28.5179.3-60.9-177.6-168.1140.78.3112.1N415 D463 S464 N467N415-R469 VanDerWaalsContact OD1-CD 3.22Å; N415-R469 WeakPolarHBondContact OD1-CD 3.25Å; N415-R469 PolarHBondContact OD1-NH1 3.33Å; D463-R469 IonicContact OD2-CZ 3.8Å; D463-R469 IonicContact OD2-NH1 3.24Å; D463-R469 PolarHBondContact OD2-NH1 2.86Å; D463-R469 IonicContact OD2-NH2 3.95Å; S464-R469 PolarHBondContact O-N 3.15Å; N467-R469 HydrophobicContact CB-CG 4.06Å; N467-R469 PolarHBondContact ND2-NH2 3.15Å; N467-R469 VanDerWaalsContact ND2-NH2 3.14Å; N467-R469 PolarHBondContact O-N 2.8Å
470I88.8Confident91.2Very high13 Ų1358.5 Ų58.57%0.06730%0.299CS..SBendtrans-126.2144.6176.469.2176.1000111.1A418 A419 A422 I461 S464 V465 F472A418-I470 HydrophobicContact CB-CD1 4.15Å; A418-I470 HydrophobicContact CB-CG2 4.32Å; A419-I470 HydrophobicContact CB-CG2 3.77Å; A422-I470 HydrophobicContact CB-CD1 4.2Å; I461-I470 HydrophobicContact CD1-CD1 4.22Å; S464-I470 PolarHBondContact O-N 3.24Å; V465-I470 HydrophobicContact CG2-CD1 3.86Å; V465-I470 HydrophobicContact CG2-CG1 3.76Å; I470-F472 HydrophobicContact CD1-CB 4.29Å; I470-F472 HydrophobicContact CG1-CB 4.42Å; I470-F472 PolarHBondContact O-N 2.99Å
471H85.9Confident91.3Very high196 Ų19657.5 Ų57.591%0.90730%0.295SS*.  trans-95.281.7173.4-67.4-53.5000109.9
472F91.5Very high91.5Very high19 Ų1957.4 Ų57.48%0.08330%0.295CS..  trans-114.7124.7173.5-175.5-110.4000109.6A422 L454 V465 I470 M474 F477A422-F472 HydrophobicContact CB-CB 4.01Å; A422-F472 HydrophobicContact CB-CD2 3.64Å; A422-F472 HydrophobicContact CB-CE2 4.42Å; A422-F472 HydrophobicContact CB-CG 4.05Å; L454-F472 HydrophobicContact CD1-CE2 4.46Å; L454-F472 HydrophobicContact CD1-CZ 3.77Å; L454-F472 HydrophobicContact CD2-CZ 4.31Å; V465-F472 HydrophobicContact CG2-CB 4.06Å; I470-F472 HydrophobicContact CD1-CB 4.29Å; I470-F472 HydrophobicContact CG1-CB 4.42Å; I470-F472 PolarHBondContact O-N 2.99Å; F472-M474 HydrophobicContact CD1-CB 4.22Å; F472-M474 HydrophobicContact CD1-CE 3.85Å; F472-M474 HydrophobicContact CD1-SD 4.29Å; F472-M474 HydrophobicContact CE1-CE 3.85Å; F472-M474 HydrophobicContact CE1-SD 3.92Å; F472-M474 PolarHBondContact O-N 3.31Å; F472-F477 HydrophobicContact CE1-CB 3.99Å; F472-F477 HydrophobicContact CE1-CD1 4.11Å; F472-F477 HydrophobicContact CE1-CG 4.11Å; F472-F477 HydrophobicContact CZ-CB 3.86Å; F472-F477 HydrophobicContact CZ-CD1 4.14Å; F472-F477 HydrophobicContact CZ-CD2 4.22Å; F472-F477 AromaticContact CZ-CG 3.81Å; F472-F477 HydrophobicContact CZ-CG 3.81Å
473D92Very high91.6Very high109 Ų10957.6 Ų57.658%0.58330%0.295SS*.  trans-75.575.6177.2-177.413.2000110.2H475 G476 F477D473-H475 VanDerWaalsContact C-N 3.29Å; D473-H475 PolarHBondContact O-N 3.26Å; D473-G476 PolarHBondContact O-N 3.12Å; D473-G476 PolarHBondContact OD1-N 3.5Å; D473-G476 WeakPolarHBondContact OD2-CA 3.47Å; D473-F477 WeakPolarHBondContact O-CB 3.43Å; D473-F477 PolarHBondContact O-N 3.16Å
474M92.9Very high91.8Very high10 Ų1056.1 Ų56.15%0.04929%0.292CS..Hα-helixtrans-59.9-40.2-177.9-175.459.278.800111.7I461 V465 F472 F477 L478 F505 A508I461-M474 HydrophobicContact CG2-CE 3.54Å; V465-M474 HydrophobicContact CG1-CB 4.49Å; F472-M474 HydrophobicContact CD1-CB 4.22Å; F472-M474 HydrophobicContact CD1-CE 3.85Å; F472-M474 HydrophobicContact CD1-SD 4.29Å; F472-M474 HydrophobicContact CE1-CE 3.85Å; F472-M474 HydrophobicContact CE1-SD 3.92Å; F472-M474 PolarHBondContact O-N 3.31Å; M474-F477 PolarHBondContact O-N 3.46Å; M474-F477 HydrophobicContact SD-CD1 4.16Å; M474-L478 HydrophobicContact CG-CD1 4.09Å; M474-L478 WeakPolarHBondContact O-CB 3.08Å; M474-L478 WeakPolarHBondContact O-CD1 3.36Å; M474-L478 VanDerWaalsContact O-CG 3.23Å; M474-L478 WeakPolarHBondContact O-CG 3.4Å; M474-L478 PolarHBondContact O-N 3.24Å; M474-L478 HydrophobicContact SD-CD1 4.47Å; M474-L478 HydrophobicContact SD-CG 4.46Å; M474-F505 HydrophobicContact CE-CD1 3.71Å; M474-F505 HydrophobicContact CE-CE1 3.83Å; M474-F505 HydrophobicContact CE-CG 4.33Å; M474-F505 HydrophobicContact SD-CB 4.39Å; M474-F505 HydrophobicContact SD-CD1 4.11Å; M474-F505 HydrophobicContact SD-CG 4.12Å; M474-A508 HydrophobicContact CG-CB 3.56Å
475H92Very high91.9Very high116 Ų11656.2 Ų56.254%0.53729%0.292SS..Hα-helixtrans-64.5-46.8176.9-178.8-73.8000110.9D473 F477 L478 T479D473-H475 VanDerWaalsContact C-N 3.29Å; D473-H475 PolarHBondContact O-N 3.26Å; H475-F477 VanDerWaalsContact C-N 3.34Å; H475-F477 PolarHBondContact O-N 3.13Å; H475-L478 PolarHBondContact O-N 3.34Å; H475-T479 VanDerWaalsContact CE1-CG2 3.49Å; H475-T479 WeakPolarHBondContact CE1-CG2 3.27Å; H475-T479 PolarHBondContact O-N 3.37Å; H475-T479 PolarHBondContact O-OG1 3.48Å; H475-T479 VanDerWaalsContact O-OG1 3.09Å
476G92.8Very high92.1Very high6 Ų655.7 Ų55.76%0.06229%0.288CS..Hα-helixtrans-61.5-38.9175.700000113.1D473 N480D473-G476 PolarHBondContact O-N 3.12Å; D473-G476 PolarHBondContact OD1-N 3.5Å; D473-G476 WeakPolarHBondContact OD2-CA 3.47Å; G476-N480 WeakPolarHBondContact O-CA 3.29Å; G476-N480 WeakPolarHBondContact O-CB 3.43Å; G476-N480 PolarHBondContact O-N 2.97Å
477F95.7Very high92.1Very high8 Ų854.1 Ų54.14%0.03529%0.287CS..Iπ-helixtrans-60.5-48.1173.4175.7-115.8000111.4L429 M451 L454 F472 D473 M474 H475 V481 I482 F505L429-F477 HydrophobicContact CD1-CD2 4.02Å; L429-F477 HydrophobicContact CD1-CE2 4.14Å; M451-F477 HydrophobicContact CG-CZ 4.14Å; L454-F477 HydrophobicContact CD1-CD1 4.45Å; L454-F477 HydrophobicContact CD1-CD2 4.32Å; L454-F477 HydrophobicContact CD1-CE1 3.88Å; L454-F477 HydrophobicContact CD1-CE2 3.74Å; L454-F477 HydrophobicContact CD1-CZ 3.49Å; L454-F477 VanDerWaalsContact CD1-CZ 3.49Å; F472-F477 HydrophobicContact CE1-CB 3.99Å; F472-F477 HydrophobicContact CE1-CD1 4.11Å; F472-F477 HydrophobicContact CE1-CG 4.11Å; F472-F477 HydrophobicContact CZ-CB 3.86Å; F472-F477 HydrophobicContact CZ-CD1 4.14Å; F472-F477 HydrophobicContact CZ-CD2 4.22Å; F472-F477 AromaticContact CZ-CG 3.81Å; F472-F477 HydrophobicContact CZ-CG 3.81Å; D473-F477 WeakPolarHBondContact O-CB 3.43Å; D473-F477 PolarHBondContact O-N 3.16Å; M474-F477 PolarHBondContact O-N 3.46Å; M474-F477 HydrophobicContact SD-CD1 4.16Å; H475-F477 VanDerWaalsContact C-N 3.34Å; H475-F477 PolarHBondContact O-N 3.13Å; F477-V481 HydrophobicContact CD2-CB 4.09Å; F477-V481 HydrophobicContact CD2-CG1 4.43Å; F477-V481 HydrophobicContact CD2-CG2 4.16Å; F477-V481 HydrophobicContact CE2-CB 4.44Å; F477-V481 HydrophobicContact CE2-CG1 4.34Å; F477-V481 VanDerWaalsContact O-CB 3.24Å; F477-V481 WeakPolarHBondContact O-CB 3.44Å; F477-V481 PolarHBondContact O-N 3.16Å; F477-I482 HydrophobicContact CD1-CD1 4.2Å; F477-I482 HydrophobicContact CE1-CD1 3.61Å; F477-I482 HydrophobicContact CE1-CG1 4.17Å; F477-I482 HydrophobicContact CE2-CG1 4.39Å; F477-I482 HydrophobicContact CZ-CD1 3.86Å; F477-I482 HydrophobicContact CZ-CG1 4.07Å; F477-I482 PolarHBondContact O-N 3.5Å; F477-F505 HydrophobicContact CE1-CD2 4.43Å; F477-F505 HydrophobicContact CE1-CE2 4.12Å
478L95.6Very high92Very high1 Ų152.7 Ų52.71%0.00528%0.279CS..Iπ-helixtrans-63.5-46.3178.4-69.8165.8000112.7M474 H475 I482 L483 F505 M509 L513 F517M474-L478 HydrophobicContact CG-CD1 4.09Å; M474-L478 WeakPolarHBondContact O-CB 3.08Å; M474-L478 WeakPolarHBondContact O-CD1 3.36Å; M474-L478 VanDerWaalsContact O-CG 3.23Å; M474-L478 WeakPolarHBondContact O-CG 3.4Å; M474-L478 PolarHBondContact O-N 3.24Å; M474-L478 HydrophobicContact SD-CD1 4.47Å; M474-L478 HydrophobicContact SD-CG 4.46Å; H475-L478 PolarHBondContact O-N 3.34Å; L478-I482 HydrophobicContact CD2-CD1 4.17Å; L478-L483 WeakPolarHBondContact O-CB 3.29Å; L478-L483 PolarHBondContact O-N 2.74Å; L478-F505 HydrophobicContact CD2-CB 4.26Å; L478-M509 HydrophobicContact CD1-CE 4.23Å; L478-M509 HydrophobicContact CD1-CG 3.77Å; L478-M509 HydrophobicContact CD2-CE 3.46Å; L478-M509 VanDerWaalsContact CD2-CE 3.46Å; L478-M509 HydrophobicContact CD2-SD 4.41Å; L478-M509 HydrophobicContact CG-CE 4.48Å; L478-L513 HydrophobicContact CB-CD2 4.09Å; L478-L513 HydrophobicContact CD1-CD2 4.24Å; L478-F517 HydrophobicContact CD2-CE2 4.35Å
479T94.3Very high91.9Very high30 Ų3056 Ų5618%0.18430%0.295CS..Iπ-helixtrans-86.1-42.8-173.762.30000113.7H475 A484 L513H475-T479 VanDerWaalsContact CE1-CG2 3.49Å; H475-T479 WeakPolarHBondContact CE1-CG2 3.27Å; H475-T479 PolarHBondContact O-N 3.37Å; H475-T479 PolarHBondContact O-OG1 3.48Å; H475-T479 VanDerWaalsContact O-OG1 3.09Å; T479-A484 PolarHBondContact O-N 3.45Å; T479-L513 HydrophobicContact CG2-CD1 4.14Å; T479-L513 HydrophobicContact CG2-CD2 4.18Å
480N93.2Very high92Very high115 Ų11553.2 Ų53.262%0.61529%0.292SS*.Iπ-helixtrans-92.6-17.1-170.5-52-28.8000112.5G476 A484G476-N480 WeakPolarHBondContact O-CA 3.29Å; G476-N480 WeakPolarHBondContact O-CB 3.43Å; G476-N480 PolarHBondContact O-N 2.97Å; N480-A484 VanDerWaalsContact O-CB 3.24Å; N480-A484 WeakPolarHBondContact O-CB 3.34Å
481V94.7Very high92.2Very high20 Ų2053 Ų5312%0.12129%0.291CS..Iπ-helixtrans-109.9-70.7176.2-170.50000109.4L429 M451 F477 A484 D485L429-V481 HydrophobicContact CD1-CG1 4.49Å; L429-V481 HydrophobicContact CD1-CG2 4.22Å; L429-V481 HydrophobicContact CD2-CG1 3.71Å; M451-V481 HydrophobicContact CE-CG1 4.04Å; F477-V481 HydrophobicContact CD2-CB 4.09Å; F477-V481 HydrophobicContact CD2-CG1 4.43Å; F477-V481 HydrophobicContact CD2-CG2 4.16Å; F477-V481 HydrophobicContact CE2-CB 4.44Å; F477-V481 HydrophobicContact CE2-CG1 4.34Å; F477-V481 VanDerWaalsContact O-CB 3.24Å; F477-V481 WeakPolarHBondContact O-CB 3.44Å; F477-V481 PolarHBondContact O-N 3.16Å; V481-A484 PolarHBondContact O-N 3.27Å; V481-D485 WeakPolarHBondContact O-CB 3.38Å; V481-D485 PolarHBondContact O-N 3.44Å
482I96.2Very high92.7Very high0 Ų045.7 Ų45.70%026%0.262CS..Iπ-helixtrans-62.5-55-171.9-57.3-168.7000111.7M451 F477 L478 A484 D485 L486 A498 A501 A502 F517M451-I482 HydrophobicContact CE-CG1 4.12Å; M451-I482 HydrophobicContact CG-CG1 4.45Å; M451-I482 HydrophobicContact SD-CG1 4.36Å; F477-I482 HydrophobicContact CD1-CD1 4.2Å; F477-I482 HydrophobicContact CE1-CD1 3.61Å; F477-I482 HydrophobicContact CE1-CG1 4.17Å; F477-I482 HydrophobicContact CE2-CG1 4.39Å; F477-I482 HydrophobicContact CZ-CD1 3.86Å; F477-I482 HydrophobicContact CZ-CG1 4.07Å; F477-I482 PolarHBondContact O-N 3.5Å; L478-I482 HydrophobicContact CD2-CD1 4.17Å; I482-A484 VanDerWaalsContact C-N 3.28Å; I482-A484 PolarHBondContact O-N 2.9Å; I482-D485 PolarHBondContact O-N 2.87Å; I482-L486 WeakPolarHBondContact O-CG 3.47Å; I482-L486 PolarHBondContact O-N 3.33Å; I482-A498 HydrophobicContact CG2-CB 3.88Å; I482-A498 VanDerWaalsContact CG2-O 3.29Å; I482-A498 WeakPolarHBondContact CG2-O 3.49Å; I482-A501 HydrophobicContact CD1-CB 3.94Å; I482-A502 HydrophobicContact CG2-CB 4.24Å; I482-F517 HydrophobicContact CB-CE1 4.39Å; I482-F517 HydrophobicContact CB-CZ 4.32Å; I482-F517 HydrophobicContact CG2-CE1 3.71Å; I482-F517 HydrophobicContact CG2-CZ 4.05Å
483L94.3Very high93Very high32 Ų3245.2 Ų45.217%0.16826%0.26CS..Hα-helixtrans-65.8-32.7-179.4-174.266.2000112.1L478 L486 N487 L513 F517L478-L483 WeakPolarHBondContact O-CB 3.29Å; L478-L483 PolarHBondContact O-N 2.74Å; L483-L486 HydrophobicContact CD1-CD1 4.49Å; L483-N487 PolarHBondContact O-ND2 3.32Å; L483-L513 HydrophobicContact CD2-CD1 4.26Å; L483-F517 HydrophobicContact CB-CE1 4.03Å; L483-F517 HydrophobicContact CB-CZ 3.97Å; L483-F517 HydrophobicContact CD1-CD1 4.39Å; L483-F517 HydrophobicContact CD1-CE1 4.02Å; L483-F517 HydrophobicContact CD1-CZ 4.47Å
484A93.7Very high93.2Very high38 Ų3840 Ų4031%0.31423%0.232SC..Hα-helixtrans-65.5-45.3174.300000111.2T479 N480 V481 I482 L486 N487T479-A484 PolarHBondContact O-N 3.45Å; N480-A484 VanDerWaalsContact O-CB 3.24Å; N480-A484 WeakPolarHBondContact O-CB 3.34Å; V481-A484 PolarHBondContact O-N 3.27Å; I482-A484 VanDerWaalsContact C-N 3.28Å; I482-A484 PolarHBondContact O-N 2.9Å; A484-L486 PolarHBondContact O-N 3.34Å; A484-N487 WeakPolarHBondContact O-CB 3.29Å; A484-N487 PolarHBondContact O-N 3.11Å; A484-N487 VanDerWaalsContact O-N 3.07Å
485D94.2Very high93.4Very high2 Ų241.1 Ų41.11%0.01124%0.238CC..Hα-helixtrans-67.7-32.4179.9-71.6-17.4000112.8H447 M451 V481 I482 N487 L488 L494H447-D485 IonicContact CE1-OD1 3.87Å; H447-D485 IonicContact CE1-OD2 3.87Å; H447-D485 IonicContact CG-OD2 3.16Å; H447-D485 IonicContact ND1-OD1 3.76Å; H447-D485 IonicContact ND1-OD2 2.97Å; H447-D485 PolarHBondContact ND1-OD2 2.65Å; M451-D485 HydrophobicContact CE-CB 4.26Å; M451-D485 WeakPolarHBondContact CE-OD2 3.44Å; V481-D485 WeakPolarHBondContact O-CB 3.38Å; V481-D485 PolarHBondContact O-N 3.44Å; I482-D485 PolarHBondContact O-N 2.87Å; D485-N487 PolarHBondContact O-N 2.87Å; D485-L488 WeakPolarHBondContact O-CB 3.05Å; D485-L488 PolarHBondContact O-N 3.28Å; D485-L494 HydrophobicContact CB-CD2 3.93Å; D485-L494 HydrophobicContact CB-CG 4.31Å
486L93.4Very high93.7Very high29 Ų2935.6 Ų35.615%0.15221%0.212CC..Hα-helixtrans-59.7-25.1171-74176.4000113.2I482 L483 A484 L488 L495 A498 L499 F517 A520I482-L486 WeakPolarHBondContact O-CG 3.47Å; I482-L486 PolarHBondContact O-N 3.33Å; L483-L486 HydrophobicContact CD1-CD1 4.49Å; A484-L486 PolarHBondContact O-N 3.34Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L486-L495 HydrophobicContact CD2-CD2 4.44Å; L486-L495 WeakPolarHBondContact O-CD2 3.32Å; L486-A498 HydrophobicContact CD2-CB 3.62Å; L486-A498 HydrophobicContact CG-CB 3.88Å; L486-L499 HydrophobicContact CD1-CD2 4.2Å; L486-L499 HydrophobicContact CD2-CD2 3.64Å; L486-L499 HydrophobicContact CD2-CG 3.86Å; L486-F517 HydrophobicContact CD1-CD1 3.59Å; L486-F517 HydrophobicContact CD1-CE1 3.63Å; L486-A520 HydrophobicContact CD1-CB 4.11Å
487N89.8Confident93.9Very high130 Ų13036 Ų3670%0.69521%0.212SC*.THydrogen-bonded Turntrans-87.4-3.1175.1-67.1-64000113L483 A484 D485L483-N487 PolarHBondContact O-ND2 3.32Å; A484-N487 WeakPolarHBondContact O-CB 3.29Å; A484-N487 PolarHBondContact O-N 3.11Å; A484-N487 VanDerWaalsContact O-N 3.07Å; D485-N487 PolarHBondContact O-N 2.87Å
488L86.9Confident94Very high52 Ų5235.6 Ų35.627%0.27221%0.21SC..  trans-101114-179.4-61.8177000110.1W443 D485 L486 V490 L495W443-L488 HydrophobicContact CH2-CD1 3.58Å; W443-L488 HydrophobicContact CZ2-CD1 4.03Å; D485-L488 WeakPolarHBondContact O-CB 3.05Å; D485-L488 PolarHBondContact O-N 3.28Å; L486-L488 VanDerWaalsContact C-N 3.34Å; L488-V490 HydrophobicContact CB-CG1 4.25Å; L488-V490 HydrophobicContact CB-CG2 4.21Å; L488-V490 PolarHBondContact O-N 3.42Å; L488-L495 WeakPolarHBondContact O-CD2 3.42Å
489S83Confident94.1Very high121 Ų12135.8 Ų35.885%0.84621%0.211SC*.THydrogen-bonded Turntrans-82.249.7176.463.80000112.2
490V90.4Very high94.2Very high70 Ų7035.1 Ų35.142%0.42421%0.205SC..THydrogen-bonded Turntrans-90.9-39.1-175-67.20000113.7W443 W444 L488 L494W443-V490 HydrophobicContact CH2-CG2 4.37Å; W443-V490 HydrophobicContact CZ2-CG1 4.14Å; W443-V490 HydrophobicContact CZ2-CG2 4.14Å; W444-V490 HydrophobicContact CB-CG2 4.11Å; W444-V490 HydrophobicContact CG-CG2 4.41Å; L488-V490 HydrophobicContact CB-CG1 4.25Å; L488-V490 HydrophobicContact CB-CG2 4.21Å; L488-V490 PolarHBondContact O-N 3.42Å; V490-L494 HydrophobicContact CG2-CD2 3.55Å
491S94.5Very high94.4Very high8 Ų829.7 Ų29.76%0.05618%0.176CC..  trans-152.9135.1179172.20000110.3W444 F493 L494 L495W444-S491 WeakPolarHBondContact CH2-OG 3.15Å; W444-S491 VanDerWaalsContact CZ3-OG 3.28Å; W444-S491 WeakPolarHBondContact CZ3-OG 3.47Å; S491-F493 PolarHBondContact O-N 2.91Å; S491-F493 PolarHBondContact OG-N 3.03Å; S491-L494 PolarHBondContact O-N 3.35Å; S491-L495 WeakPolarHBondContact O-CG 3.49Å; S491-L495 PolarHBondContact O-N 3.09Å
492P96Very high94.5Very high44 Ų4428.7 Ų28.729%0.28617%0.17SC..Hα-helixtrans-64.7-28.5175.228.9-35.4000112.4G496 P530 V533P492-G496 PolarHBondContact O-N 3.27Å; P492-P530 HydrophobicContact CB-CB 4.35Å; P492-P530 HydrophobicContact CB-CG 3.6Å; P492-V533 HydrophobicContact CB-CG2 3.79Å; P492-V533 WeakPolarHBondContact O-CG2 3.35Å
493F97Very high94.5Very high9 Ų928.7 Ų28.74%0.03917%0.17CC..Hα-helixtrans-72.6-38.3177.5-63.3-78.6000112.1I370 I375 W378 F385 W444 S491 G496 R497I370-F493 HydrophobicContact CD1-CB 3.95Å; I370-F493 HydrophobicContact CD1-CD1 3.98Å; I370-F493 HydrophobicContact CD1-CD2 4.16Å; I370-F493 HydrophobicContact CD1-CG 3.75Å; I375-F493 HydrophobicContact CB-CE2 4.33Å; I375-F493 HydrophobicContact CG1-CD2 4.2Å; I375-F493 HydrophobicContact CG1-CE2 4.17Å; I375-F493 HydrophobicContact CG2-CE2 3.97Å; W378-F493 HydrophobicContact CB-CE1 3.8Å; W378-F493 HydrophobicContact CB-CZ 3.84Å; W378-F493 HydrophobicContact CD2-CE1 4.46Å; W378-F493 HydrophobicContact CE3-CD1 4.07Å; W378-F493 AromaticContact CE3-CE1 3.75Å; W378-F493 HydrophobicContact CE3-CE1 3.75Å; W378-F493 HydrophobicContact CE3-CZ 4.46Å; F385-F493 HydrophobicContact CD2-CE1 4.21Å; F385-F493 HydrophobicContact CE2-CD1 4.14Å; F385-F493 HydrophobicContact CE2-CE1 4.15Å; F385-F493 HydrophobicContact CZ-CD1 4.45Å; W444-F493 HydrophobicContact CZ3-CB 4.3Å; S491-F493 PolarHBondContact O-N 2.91Å; S491-F493 PolarHBondContact OG-N 3.03Å; F493-G496 PolarHBondContact O-N 3.42Å; F493-R497 WeakPolarHBondContact O-CB 3.5Å; F493-R497 PolarHBondContact O-N 3.4Å
494L97.2Very high94.5Very high0 Ų029.3 Ų29.30%017%0.17CC..Hα-helixtrans-62-47.4171.9-179.670.2000110.8W443 W444 H447 E448 M451 D485 V490 S491 G496 R497 A498W443-L494 HydrophobicContact CH2-CD2 4.39Å; W444-L494 HydrophobicContact CB-CD2 3.93Å; W444-L494 HydrophobicContact CE3-CB 3.96Å; H447-L494 HydrophobicContact CB-CD1 3.89Å; E448-L494 HydrophobicContact CB-CD1 4.16Å; M451-L494 HydrophobicContact CE-CD1 4.21Å; D485-L494 HydrophobicContact CB-CD2 3.93Å; D485-L494 HydrophobicContact CB-CG 4.31Å; V490-L494 HydrophobicContact CG2-CD2 3.55Å; S491-L494 PolarHBondContact O-N 3.35Å; L494-G496 VanDerWaalsContact C-N 3.32Å; L494-G496 PolarHBondContact O-N 2.91Å; L494-R497 PolarHBondContact O-N 3.1Å; L494-A498 VanDerWaalsContact O-CB 3.31Å; L494-A498 WeakPolarHBondContact O-CB 3.28Å; L494-A498 PolarHBondContact O-N 2.86Å
495L96.8Very high94.5Very high32 Ų3227.6 Ų27.617%0.16816%0.156CC..Hα-helixtrans-58.3-47178-69.6176.5000110.9L486 L488 S491 A498 L499 V533L486-L495 HydrophobicContact CD2-CD2 4.44Å; L486-L495 WeakPolarHBondContact O-CD2 3.32Å; L488-L495 WeakPolarHBondContact O-CD2 3.42Å; S491-L495 WeakPolarHBondContact O-CG 3.49Å; S491-L495 PolarHBondContact O-N 3.09Å; L495-A498 PolarHBondContact O-N 3.07Å; L495-L499 WeakPolarHBondContact O-CG 3.26Å; L495-L499 PolarHBondContact O-N 3.1Å; L495-L499 VanDerWaalsContact O-N 3.11Å; L495-V533 HydrophobicContact CB-CG2 4.05Å
496G96.9Very high94.4Very high0 Ų027.7 Ų27.70%016%0.157CC..Hα-helixtrans-58.9-49.817600000112.8P492 F493 L494 A498 L499 W500 S536P492-G496 PolarHBondContact O-N 3.27Å; F493-G496 PolarHBondContact O-N 3.42Å; L494-G496 VanDerWaalsContact C-N 3.32Å; L494-G496 PolarHBondContact O-N 2.91Å; G496-A498 VanDerWaalsContact C-N 3.31Å; G496-A498 PolarHBondContact O-N 3.23Å; G496-L499 WeakPolarHBondContact O-CB 3.32Å; G496-L499 PolarHBondContact O-N 3.27Å; G496-W500 PolarHBondContact O-N 3.09Å; G496-S536 WeakPolarHBondContact CA-OG 3.15Å; G496-S536 WeakPolarHBondContact O-CB 3.4Å
497R97.3Very high94.2Very high15 Ų1530.1 Ų30.16%0.05717%0.172CC..Hα-helixtrans-62-38.3178.2-177.762.466-151.8-14.2112.5E389 E448 M451 F493 L494 W500 A501E389-R497 IonicContact OE1-NH2 3.18Å; E389-R497 PolarHBondContact OE1-NH2 2.86Å; E389-R497 IonicContact OE2-CZ 2.75Å; E389-R497 VanDerWaalsContact OE2-CZ 3.26Å; E389-R497 IonicContact OE2-NH1 2.8Å; E389-R497 PolarHBondContact OE2-NH1 3.29Å; E389-R497 IonicContact OE2-NH2 3.62Å; E389-R497 PolarHBondContact OE2-NH2 3.49Å; E448-R497 HydrophobicContact CG-CB 3.78Å; E448-R497 HydrophobicContact CG-CG 3.91Å; E448-R497 IonicContact OE1-CZ 2.8Å; E448-R497 VanDerWaalsContact OE1-CZ 3.3Å; E448-R497 IonicContact OE1-NE 3.53Å; E448-R497 PolarHBondContact OE1-NE 3.27Å; E448-R497 IonicContact OE1-NH2 2.76Å; E448-R497 PolarHBondContact OE1-NH2 3.46Å; M451-R497 HydrophobicContact CB-CG 3.62Å; M451-R497 HydrophobicContact SD-CG 4.19Å; F493-R497 WeakPolarHBondContact O-CB 3.5Å; F493-R497 PolarHBondContact O-N 3.4Å; L494-R497 PolarHBondContact O-N 3.1Å; R497-W500 PolarHBondContact O-N 3.01Å; R497-A501 VanDerWaalsContact O-CB 3.23Å; R497-A501 WeakPolarHBondContact O-CB 3.28Å; R497-A501 PolarHBondContact O-N 2.81Å
498A97.6Very high94Very high0 Ų026 Ų260%016%0.157CC..Hα-helixtrans-63.9-40.5177.100000111.8M451 I482 L486 L494 L495 G496 A502M451-A498 HydrophobicContact CE-CB 4.36Å; M451-A498 HydrophobicContact SD-CB 3.97Å; I482-A498 HydrophobicContact CG2-CB 3.88Å; I482-A498 VanDerWaalsContact CG2-O 3.29Å; I482-A498 WeakPolarHBondContact CG2-O 3.49Å; L486-A498 HydrophobicContact CD2-CB 3.62Å; L486-A498 HydrophobicContact CG-CB 3.88Å; L494-A498 VanDerWaalsContact O-CB 3.31Å; L494-A498 WeakPolarHBondContact O-CB 3.28Å; L494-A498 PolarHBondContact O-N 2.86Å; L495-A498 PolarHBondContact O-N 3.07Å; G496-A498 VanDerWaalsContact C-N 3.31Å; G496-A498 PolarHBondContact O-N 3.23Å; A498-A502 WeakPolarHBondContact O-CB 3.37Å; A498-A502 PolarHBondContact O-N 3.44Å
499L97.6Very high94.2Very high5 Ų524.5 Ų24.53%0.02615%0.148CC..Hα-helixtrans-62.4-48.4172.8-65.8177.4000111.5L486 L495 G496 A502 S503 A520 V533 A537 A540L486-L499 HydrophobicContact CD1-CD2 4.2Å; L486-L499 HydrophobicContact CD2-CD2 3.64Å; L486-L499 HydrophobicContact CD2-CG 3.86Å; L495-L499 WeakPolarHBondContact O-CG 3.26Å; L495-L499 PolarHBondContact O-N 3.1Å; L495-L499 VanDerWaalsContact O-N 3.11Å; G496-L499 WeakPolarHBondContact O-CB 3.32Å; G496-L499 PolarHBondContact O-N 3.27Å; L499-A502 PolarHBondContact O-N 3.39Å; L499-S503 PolarHBondContact O-N 3.16Å; L499-A520 HydrophobicContact CD2-CB 4.06Å; L499-V533 HydrophobicContact CD1-CG1 4.3Å; L499-A537 HydrophobicContact CD1-CB 3.95Å; L499-A540 HydrophobicContact CB-CB 4.15Å; L499-A540 WeakPolarHBondContact O-CB 3.37Å
500W97.1Very high94.5Very high16 Ų1621.1 Ų21.16%0.06112%0.124CC..Hα-helixtrans-59.5-50.3178.1172.492.8000111.6L452 G496 R497 A502 S503 R504L452-W500 HydrophobicContact CD1-CH2 4.04Å; L452-W500 HydrophobicContact CD1-CZ3 4.41Å; G496-W500 PolarHBondContact O-N 3.09Å; R497-W500 PolarHBondContact O-N 3.01Å; W500-A502 VanDerWaalsContact C-N 3.32Å; W500-A502 PolarHBondContact O-N 3.03Å; W500-S503 WeakPolarHBondContact O-CB 3.4Å; W500-S503 PolarHBondContact O-N 3.19Å; W500-S503 VanDerWaalsContact O-N 3.09Å; W500-S503 PolarHBondContact O-OG 3.47Å; W500-R504 HydrophobicContact CD2-CG 4.43Å; W500-R504 HydrophobicContact CH2-CG 4.44Å; W500-R504 HydrophobicContact CZ2-CG 4.35Å; W500-R504 PolarHBondContact O-N 3.17Å
501A96.8Very high94.4Very high0 Ų021.2 Ų21.20%013%0.127CC..Hα-helixtrans-64.4-37.1-17700000111.9M451 I482 R497 S503 R504 F505M451-A501 HydrophobicContact CB-CB 3.87Å; M451-A501 HydrophobicContact CG-CB 4.25Å; I482-A501 HydrophobicContact CD1-CB 3.94Å; R497-A501 VanDerWaalsContact O-CB 3.23Å; R497-A501 WeakPolarHBondContact O-CB 3.28Å; R497-A501 PolarHBondContact O-N 2.81Å; A501-S503 VanDerWaalsContact C-N 3.3Å; A501-S503 PolarHBondContact O-N 3.21Å; A501-R504 WeakPolarHBondContact O-CB 3.15Å; A501-R504 PolarHBondContact O-N 2.81Å; A501-R504 VanDerWaalsContact O-N 3.13Å; A501-F505 VanDerWaalsContact O-CD2 3.29Å; A501-F505 WeakPolarHBondContact O-CD2 3.27Å
502A96.7Very high94.3Very high0 Ų026.2 Ų26.20%015%0.149CC..Hα-helixtrans-57.9-43.2173.600000111.5I482 A498 L499 W500 R504 F505 M509 F517 Y544I482-A502 HydrophobicContact CG2-CB 4.24Å; A498-A502 WeakPolarHBondContact O-CB 3.37Å; A498-A502 PolarHBondContact O-N 3.44Å; L499-A502 PolarHBondContact O-N 3.39Å; W500-A502 VanDerWaalsContact C-N 3.32Å; W500-A502 PolarHBondContact O-N 3.03Å; A502-R504 PolarHBondContact O-N 3.41Å; A502-R504 VanDerWaalsContact O-N 3.15Å; A502-F505 PolarHBondContact O-N 2.99Å; A502-M509 HydrophobicContact CB-CE 4.37Å; A502-M509 WeakPolarHBondContact O-CE 3.38Å; A502-F517 HydrophobicContact CB-CB 4.35Å; A502-F517 HydrophobicContact CB-CD1 3.69Å; A502-F517 HydrophobicContact CB-CD2 4.22Å; A502-F517 HydrophobicContact CB-CE1 3.92Å; A502-F517 HydrophobicContact CB-CE2 4.39Å; A502-F517 HydrophobicContact CB-CG 3.86Å; A502-F517 HydrophobicContact CB-CZ 4.26Å; A502-Y544 WeakPolarHBondContact CB-OH 3.46Å
503S96.3Very high94.1Very high0 Ų024.6 Ų24.60%014%0.138CC..Hα-helixtrans-62.5-23.8178.776.80000114L499 W500 A501 T506 A540 Y544L499-S503 PolarHBondContact O-N 3.16Å; W500-S503 WeakPolarHBondContact O-CB 3.4Å; W500-S503 PolarHBondContact O-N 3.19Å; W500-S503 VanDerWaalsContact O-N 3.09Å; W500-S503 PolarHBondContact O-OG 3.47Å; A501-S503 VanDerWaalsContact C-N 3.3Å; A501-S503 PolarHBondContact O-N 3.21Å; S503-T506 WeakPolarHBondContact O-CG2 3.19Å; S503-A540 WeakPolarHBondContact CB-O 3.28Å; S503-Y544 PolarHBondContact N-OH 3.04Å
504R94.9Very high94Very high45 Ų4524.7 Ų24.717%0.1714%0.139CC..Hα-helixtrans-76.7-18.4-179.1-58.8-57.4-169.6142.4-14.9113.8K458 W500 A501 A502K458-R504 HydrophobicContact CB-CB 4.24Å; K458-R504 HydrophobicContact CD-CB 4.26Å; W500-R504 HydrophobicContact CD2-CG 4.43Å; W500-R504 HydrophobicContact CH2-CG 4.44Å; W500-R504 HydrophobicContact CZ2-CG 4.35Å; W500-R504 PolarHBondContact O-N 3.17Å; A501-R504 WeakPolarHBondContact O-CB 3.15Å; A501-R504 PolarHBondContact O-N 2.81Å; A501-R504 VanDerWaalsContact O-N 3.13Å; A502-R504 PolarHBondContact O-N 3.41Å; A502-R504 VanDerWaalsContact O-N 3.15Å
505F94.6Very high93.9Very high1 Ų129.5 Ų29.50%0.00416%0.161CC..THydrogen-bonded Turntrans-120.724.6-172.1-62.7-66.5000114.3L454 K458 I461 M474 F477 L478 A501 A502 V507 A508 M509L454-F505 HydrophobicContact CB-CE2 4.39Å; L454-F505 HydrophobicContact CB-CZ 4.03Å; L454-F505 WeakPolarHBondContact O-CZ 3.14Å; K458-F505 HydrophobicContact CB-CE1 4.28Å; I461-F505 HydrophobicContact CB-CE1 4.42Å; I461-F505 HydrophobicContact CG2-CE1 4.03Å; M474-F505 HydrophobicContact CE-CD1 3.71Å; M474-F505 HydrophobicContact CE-CE1 3.83Å; M474-F505 HydrophobicContact CE-CG 4.33Å; M474-F505 HydrophobicContact SD-CB 4.39Å; M474-F505 HydrophobicContact SD-CD1 4.11Å; M474-F505 HydrophobicContact SD-CG 4.12Å; F477-F505 HydrophobicContact CE1-CD2 4.43Å; F477-F505 HydrophobicContact CE1-CE2 4.12Å; L478-F505 HydrophobicContact CD2-CB 4.26Å; A501-F505 VanDerWaalsContact O-CD2 3.29Å; A501-F505 WeakPolarHBondContact O-CD2 3.27Å; A502-F505 PolarHBondContact O-N 2.99Å; F505-V507 PolarHBondContact O-N 3.48Å; F505-V507 VanDerWaalsContact O-N 3.16Å; F505-A508 PolarHBondContact O-N 2.93Å; F505-M509 HydrophobicContact CB-CE 4.19Å; F505-M509 WeakPolarHBondContact O-CG 3.24Å
506T92.2Very high93.8Very high5 Ų532.7 Ų32.73%0.03118%0.175CC..G310 helixtrans-52.2-37.8-179.650.80000113.4S503 A508 M509 Y544 Q547S503-T506 WeakPolarHBondContact O-CG2 3.19Å; T506-A508 PolarHBondContact O-N 3.2Å; T506-A508 VanDerWaalsContact O-N 3.13Å; T506-M509 PolarHBondContact O-N 3.04Å; T506-Y544 HydrophobicContact CG2-CD1 3.38Å; T506-Y544 HydrophobicContact CG2-CE1 3.53Å; T506-Q547 HydrophobicContact CG2-CB 4.43Å; T506-Q547 WeakPolarHBondContact OG1-CB 3.18Å
507V87.8Confident93.8Very high80 Ų8032.7 Ų32.749%0.48518%0.175SC..G310 helixtrans-58.7-25.4179.3-178.40000112.8T462 F505T462-V507 HydrophobicContact CG2-CB 4.13Å; T462-V507 HydrophobicContact CG2-CG1 4.09Å; F505-V507 PolarHBondContact O-N 3.48Å; F505-V507 VanDerWaalsContact O-N 3.16Å
508A86.7Confident93.8Very high44 Ų4432.1 Ų32.136%0.36417%0.173SC..G310 helixtrans-95.3-0.8179.800000114M474 F505 T506M474-A508 HydrophobicContact CG-CB 3.56Å; F505-A508 PolarHBondContact O-N 2.93Å; T506-A508 PolarHBondContact O-N 3.2Å; T506-A508 VanDerWaalsContact O-N 3.13Å
509M91.2Very high93.7Very high20 Ų2037.2 Ų37.210%0.09920%0.197CC..SBendtrans-97151.7-173.3-57.6-163.3-159.800113.2L478 A502 F505 T506 L513 I514 F517L478-M509 HydrophobicContact CD1-CE 4.23Å; L478-M509 HydrophobicContact CD1-CG 3.77Å; L478-M509 HydrophobicContact CD2-CE 3.46Å; L478-M509 VanDerWaalsContact CD2-CE 3.46Å; L478-M509 HydrophobicContact CD2-SD 4.41Å; L478-M509 HydrophobicContact CG-CE 4.48Å; A502-M509 HydrophobicContact CB-CE 4.37Å; A502-M509 WeakPolarHBondContact O-CE 3.38Å; F505-M509 HydrophobicContact CB-CE 4.19Å; F505-M509 WeakPolarHBondContact O-CG 3.24Å; T506-M509 PolarHBondContact O-N 3.04Å; M509-L513 HydrophobicContact CB-CB 4.41Å; M509-L513 HydrophobicContact CB-CD2 4.27Å; M509-L513 HydrophobicContact CG-CD2 4.18Å; M509-L513 HydrophobicContact SD-CD2 4.33Å; M509-L513 HydrophobicContact SD-CG 4.21Å; M509-I514 HydrophobicContact CB-CD1 4.1Å; M509-I514 HydrophobicContact CB-CG1 3.54Å; M509-I514 HydrophobicContact CG-CG1 4.35Å; M509-I514 HydrophobicContact SD-CG1 4.16Å; M509-F517 HydrophobicContact CE-CD2 4.2Å; M509-F517 HydrophobicContact CE-CE2 4.19Å; M509-F517 HydrophobicContact SD-CD2 3.56Å; M509-F517 VanDerWaalsContact SD-CD2 3.56Å; M509-F517 HydrophobicContact SD-CE2 3.77Å
510S89.8Confident93.6Very high49 Ų4938.3 Ų38.334%0.34321%0.207SC..  trans-76.2155.3163.788.30000110.6E512 L513 I514S510-E512 VanDerWaalsContact CB-OE2 3.31Å; S510-E512 WeakPolarHBondContact CB-OE2 3.17Å; S510-E512 PolarHBondContact O-N 2.93Å; S510-E512 PolarHBondContact OG-N 3.37Å; S510-E512 PolarHBondContact OG-OE2 2.95Å; S510-L513 PolarHBondContact O-N 3.38Å; S510-L513 PolarHBondContact OG-N 3.28Å; S510-I514 WeakPolarHBondContact O-CG1 2.95Å; S510-I514 PolarHBondContact O-N 2.93Å
511P88Confident93.6Very high73 Ų7337.6 Ų37.647%0.47420%0.204SC..Hα-helixtrans-54.4-35.7176.4-26.735.6000113.8I514 Q515P511-I514 PolarHBondContact O-N 3.25Å; P511-Q515 WeakPolarHBondContact O-CG 3.39Å; P511-Q515 PolarHBondContact O-N 3.08Å
512E91.1Very high93.7Very high113 Ų11338.6 Ų38.653%0.52821%0.21SC..Hα-helixtrans-68.9-35.5178.2-57.273.6-158.800112.3S510 Q516S510-E512 VanDerWaalsContact CB-OE2 3.31Å; S510-E512 WeakPolarHBondContact CB-OE2 3.17Å; S510-E512 PolarHBondContact O-N 2.93Å; S510-E512 PolarHBondContact OG-N 3.37Å; S510-E512 PolarHBondContact OG-OE2 2.95Å; E512-Q516 WeakPolarHBondContact O-CG 3.43Å; E512-Q516 PolarHBondContact O-N 3.35Å; E512-Q516 PolarHBondContact O-NE2 2.95Å
513L93.5Very high93.6Very high9 Ų941.1 Ų41.15%0.04723%0.228CC..Hα-helixtrans-72.4-40.7176.9-175.559.5000110.8L478 T479 L483 M509 S510 Q515 Q516 F517L478-L513 HydrophobicContact CB-CD2 4.09Å; L478-L513 HydrophobicContact CD1-CD2 4.24Å; T479-L513 HydrophobicContact CG2-CD1 4.14Å; T479-L513 HydrophobicContact CG2-CD2 4.18Å; L483-L513 HydrophobicContact CD2-CD1 4.26Å; M509-L513 HydrophobicContact CB-CB 4.41Å; M509-L513 HydrophobicContact CB-CD2 4.27Å; M509-L513 HydrophobicContact CG-CD2 4.18Å; M509-L513 HydrophobicContact SD-CD2 4.33Å; M509-L513 HydrophobicContact SD-CG 4.21Å; S510-L513 PolarHBondContact O-N 3.38Å; S510-L513 PolarHBondContact OG-N 3.28Å; L513-Q515 VanDerWaalsContact C-N 3.3Å; L513-Q515 PolarHBondContact O-N 3.41Å; L513-Q516 PolarHBondContact O-N 3.31Å; L513-F517 HydrophobicContact CD1-CD2 4.03Å; L513-F517 HydrophobicContact CD1-CE2 3.57Å; L513-F517 HydrophobicContact CD1-CZ 4.27Å; L513-F517 HydrophobicContact CD2-CE2 4.13Å; L513-F517 HydrophobicContact CG-CD2 3.92Å; L513-F517 HydrophobicContact CG-CE2 3.61Å; L513-F517 VanDerWaalsContact O-CD2 3.31Å; L513-F517 WeakPolarHBondContact O-CD2 3.28Å; L513-F517 PolarHBondContact O-N 3.08Å; L513-F517 VanDerWaalsContact O-N 3.08Å
514I94.2Very high93.6Very high12 Ų1241.3 Ų41.36%0.06223%0.23CC..Hα-helixtrans-57-46.2172.6-63.2170.8000110M509 S510 P511 Q516 F517 L518 L548 V556M509-I514 HydrophobicContact CB-CD1 4.1Å; M509-I514 HydrophobicContact CB-CG1 3.54Å; M509-I514 HydrophobicContact CG-CG1 4.35Å; M509-I514 HydrophobicContact SD-CG1 4.16Å; S510-I514 WeakPolarHBondContact O-CG1 2.95Å; S510-I514 PolarHBondContact O-N 2.93Å; P511-I514 PolarHBondContact O-N 3.25Å; I514-Q516 VanDerWaalsContact C-N 3.32Å; I514-Q516 PolarHBondContact O-N 3.15Å; I514-F517 PolarHBondContact O-N 3.32Å; I514-L518 HydrophobicContact CG2-CD1 3.72Å; I514-L518 HydrophobicContact CG2-CG 4.07Å; I514-L518 WeakPolarHBondContact O-CB 3.25Å; I514-L518 VanDerWaalsContact O-CG 3.31Å; I514-L518 WeakPolarHBondContact O-CG 3.48Å; I514-L518 PolarHBondContact O-N 3.32Å; I514-L548 HydrophobicContact CD1-CD2 4.43Å; I514-V556 HydrophobicContact CB-CG1 4.42Å; I514-V556 HydrophobicContact CG2-CG1 3.74Å
515Q94.5Very high93.7Very high100 Ų10039.4 Ų39.447%0.46722%0.223SC..Hα-helixtrans-59.7-38.9177.8-75.9-179.81.700113.3P511 L513 Q519 V556 F560P511-Q515 WeakPolarHBondContact O-CG 3.39Å; P511-Q515 PolarHBondContact O-N 3.08Å; L513-Q515 VanDerWaalsContact C-N 3.3Å; L513-Q515 PolarHBondContact O-N 3.41Å; Q515-Q519 WeakPolarHBondContact O-CB 3.36Å; Q515-Q519 PolarHBondContact O-N 3.38Å; Q515-V556 HydrophobicContact CG-CG1 4.37Å; Q515-F560 HydrophobicContact CG-CE2 4.49Å
516Q94.8Very high93.7Very high100 Ų10044 Ų4447%0.46725%0.245SC..Hα-helixtrans-64.9-44.8176.6-73.3175.259.900111.7E512 L513 I514 Q519 A520E512-Q516 WeakPolarHBondContact O-CG 3.43Å; E512-Q516 PolarHBondContact O-N 3.35Å; E512-Q516 PolarHBondContact O-NE2 2.95Å; L513-Q516 PolarHBondContact O-N 3.31Å; I514-Q516 VanDerWaalsContact C-N 3.32Å; I514-Q516 PolarHBondContact O-N 3.15Å; Q516-Q519 PolarHBondContact O-N 2.88Å; Q516-A520 PolarHBondContact O-N 2.83Å
517F96.7Very high93.7Very high0 Ų049.7 Ų49.70%027%0.271CS..Hα-helixtrans-69.2-37.4177.4-73.5-61.4000112.9L478 I482 L483 L486 A502 M509 L513 I514 Q519 A520 T521 Y544L478-F517 HydrophobicContact CD2-CE2 4.35Å; I482-F517 HydrophobicContact CB-CE1 4.39Å; I482-F517 HydrophobicContact CB-CZ 4.32Å; I482-F517 HydrophobicContact CG2-CE1 3.71Å; I482-F517 HydrophobicContact CG2-CZ 4.05Å; L483-F517 HydrophobicContact CB-CE1 4.03Å; L483-F517 HydrophobicContact CB-CZ 3.97Å; L483-F517 HydrophobicContact CD1-CD1 4.39Å; L483-F517 HydrophobicContact CD1-CE1 4.02Å; L483-F517 HydrophobicContact CD1-CZ 4.47Å; L486-F517 HydrophobicContact CD1-CD1 3.59Å; L486-F517 HydrophobicContact CD1-CE1 3.63Å; A502-F517 HydrophobicContact CB-CB 4.35Å; A502-F517 HydrophobicContact CB-CD1 3.69Å; A502-F517 HydrophobicContact CB-CD2 4.22Å; A502-F517 HydrophobicContact CB-CE1 3.92Å; A502-F517 HydrophobicContact CB-CE2 4.39Å; A502-F517 HydrophobicContact CB-CG 3.86Å; A502-F517 HydrophobicContact CB-CZ 4.26Å; M509-F517 HydrophobicContact CE-CD2 4.2Å; M509-F517 HydrophobicContact CE-CE2 4.19Å; M509-F517 HydrophobicContact SD-CD2 3.56Å; M509-F517 VanDerWaalsContact SD-CD2 3.56Å; M509-F517 HydrophobicContact SD-CE2 3.77Å; L513-F517 HydrophobicContact CD1-CD2 4.03Å; L513-F517 HydrophobicContact CD1-CE2 3.57Å; L513-F517 HydrophobicContact CD1-CZ 4.27Å; L513-F517 HydrophobicContact CD2-CE2 4.13Å; L513-F517 HydrophobicContact CG-CD2 3.92Å; L513-F517 HydrophobicContact CG-CE2 3.61Å; L513-F517 VanDerWaalsContact O-CD2 3.31Å; L513-F517 WeakPolarHBondContact O-CD2 3.28Å; L513-F517 PolarHBondContact O-N 3.08Å; L513-F517 VanDerWaalsContact O-N 3.08Å; I514-F517 PolarHBondContact O-N 3.32Å; F517-Q519 VanDerWaalsContact C-N 3.34Å; F517-Q519 PolarHBondContact O-N 2.71Å; F517-A520 PolarHBondContact O-N 3.34Å; F517-T521 WeakPolarHBondContact O-CB 3.48Å; F517-T521 PolarHBondContact O-N 3.44Å; F517-T521 PolarHBondContact O-OG1 3.47Å; F517-Y544 VanDerWaalsContact CB-OH 3.26Å; F517-Y544 WeakPolarHBondContact CB-OH 3.15Å
518L96.8Very high93.9Very high2 Ų250.9 Ų50.91%0.0128%0.278CS..Hα-helixtrans-62.1-42.4173.1-73.2175000111.2I514 A520 T521 V522 Y544 V556 L557 F560I514-L518 HydrophobicContact CG2-CD1 3.72Å; I514-L518 HydrophobicContact CG2-CG 4.07Å; I514-L518 WeakPolarHBondContact O-CB 3.25Å; I514-L518 VanDerWaalsContact O-CG 3.31Å; I514-L518 WeakPolarHBondContact O-CG 3.48Å; I514-L518 PolarHBondContact O-N 3.32Å; L518-A520 VanDerWaalsContact C-N 3.33Å; L518-A520 PolarHBondContact O-N 2.92Å; L518-T521 PolarHBondContact O-N 3.14Å; L518-V522 WeakPolarHBondContact O-CG2 3.46Å; L518-V522 PolarHBondContact O-N 3.37Å; L518-Y544 HydrophobicContact CD2-CD1 4.06Å; L518-Y544 HydrophobicContact CD2-CD2 3.65Å; L518-Y544 HydrophobicContact CD2-CE1 4.43Å; L518-Y544 HydrophobicContact CD2-CE2 4.08Å; L518-Y544 HydrophobicContact CD2-CG 3.69Å; L518-V556 HydrophobicContact CD1-CG1 3.97Å; L518-L557 HydrophobicContact CD1-CD2 3.92Å; L518-L557 HydrophobicContact CD2-CD2 3.58Å; L518-L557 HydrophobicContact CG-CD2 4.43Å; L518-F560 HydrophobicContact CB-CD1 4.26Å; L518-F560 HydrophobicContact CB-CD2 3.96Å; L518-F560 HydrophobicContact CB-CE1 4.13Å; L518-F560 HydrophobicContact CB-CE2 3.82Å; L518-F560 HydrophobicContact CB-CG 4.17Å; L518-F560 HydrophobicContact CB-CZ 3.9Å; L518-F560 HydrophobicContact CD1-CD2 3.82Å; L518-F560 HydrophobicContact CD1-CE2 3.8Å; L518-F560 HydrophobicContact CG-CD2 4.5Å; L518-F560 HydrophobicContact CG-CE2 4.49Å
519Q96.5Very high94.3Very high107 Ų10752 Ų5250%0.528%0.276SS..Hα-helixtrans-61.2-42174.6-17663.952.400111.9Q515 Q516 F517 S523 F560Q515-Q519 WeakPolarHBondContact O-CB 3.36Å; Q515-Q519 PolarHBondContact O-N 3.38Å; Q516-Q519 PolarHBondContact O-N 2.88Å; F517-Q519 VanDerWaalsContact C-N 3.34Å; F517-Q519 PolarHBondContact O-N 2.71Å; Q519-S523 WeakPolarHBondContact O-CB 3.38Å; Q519-S523 PolarHBondContact O-N 3.06Å; Q519-S523 PolarHBondContact O-OG 3.12Å; Q519-F560 HydrophobicContact CB-CE1 4.1Å
520A95.9Very high94.5Very high28 Ų2853.3 Ų53.323%0.23129%0.286CS..Hα-helixtrans-64.9-41.8175.100000111.8L486 L499 Q516 F517 L518 S523 G524L486-A520 HydrophobicContact CD1-CB 4.11Å; L499-A520 HydrophobicContact CD2-CB 4.06Å; Q516-A520 PolarHBondContact O-N 2.83Å; F517-A520 PolarHBondContact O-N 3.34Å; L518-A520 VanDerWaalsContact C-N 3.33Å; L518-A520 PolarHBondContact O-N 2.92Å; A520-S523 CarbonylContact O-C 3.55Å; A520-S523 WeakPolarHBondContact O-CB 3.49Å; A520-S523 PolarHBondContact O-N 3.31Å; A520-G524 PolarHBondContact O-N 2.75Å
521T97.4Very high94.8Very high1 Ų153.2 Ų53.21%0.00628%0.284CS..Hα-helixtrans-63.6-45.8179-54.70000111.4F517 L518 S523 G524 L525 A537 A540 I541 Y544F517-T521 WeakPolarHBondContact O-CB 3.48Å; F517-T521 PolarHBondContact O-N 3.44Å; F517-T521 PolarHBondContact O-OG1 3.47Å; L518-T521 PolarHBondContact O-N 3.14Å; T521-S523 VanDerWaalsContact C-N 3.3Å; T521-S523 PolarHBondContact O-N 3.2Å; T521-G524 WeakPolarHBondContact O-CA 3.46Å; T521-G524 PolarHBondContact O-N 3.34Å; T521-L525 PolarHBondContact O-N 3.06Å; T521-A537 HydrophobicContact CG2-CB 4.14Å; T521-A537 WeakPolarHBondContact CG2-O 3.44Å; T521-A540 HydrophobicContact CG2-CB 3.89Å; T521-I541 HydrophobicContact CG2-CD1 4.18Å; T521-I541 HydrophobicContact CG2-CG1 3.65Å; T521-Y544 HydrophobicContact CG2-CE2 4.49Å
522V97.5Very high95.2Very high21 Ų2150.2 Ų50.213%0.12727%0.265CS..Hα-helixtrans-61.7-39.2173.9170.60000111.5L518 G524 L525 F560 S563 I564L518-V522 WeakPolarHBondContact O-CG2 3.46Å; L518-V522 PolarHBondContact O-N 3.37Å; V522-G524 PolarHBondContact O-N 3.16Å; V522-L525 PolarHBondContact O-N 2.65Å; V522-F560 HydrophobicContact CG2-CB 4Å; V522-F560 HydrophobicContact CG2-CD1 3.97Å; V522-F560 HydrophobicContact CG2-CG 4.39Å; V522-S563 VanDerWaalsContact CG1-CB 3.47Å; V522-I564 HydrophobicContact CG2-CD1 4.41Å; V522-I564 HydrophobicContact CG2-CG1 3.83Å
523S96Very high95.5Very high54 Ų5445 Ų4538%0.37824%0.241SC..Hα-helixtrans-66.2-30.9175-54.10000112Q519 A520 T521 L525 H526 Q529Q519-S523 WeakPolarHBondContact O-CB 3.38Å; Q519-S523 PolarHBondContact O-N 3.06Å; Q519-S523 PolarHBondContact O-OG 3.12Å; A520-S523 CarbonylContact O-C 3.55Å; A520-S523 WeakPolarHBondContact O-CB 3.49Å; A520-S523 PolarHBondContact O-N 3.31Å; T521-S523 VanDerWaalsContact C-N 3.3Å; T521-S523 PolarHBondContact O-N 3.2Å; S523-L525 VanDerWaalsContact C-N 3.3Å; S523-L525 PolarHBondContact O-N 2.91Å; S523-H526 WeakPolarHBondContact O-CB 3.41Å; S523-H526 PolarHBondContact O-N 3.35Å; S523-Q529 WeakPolarHBondContact O-CG 3.2Å
524G96.2Very high95.7Very high4 Ų444.9 Ų44.94%0.04124%0.24CC..Hα-helixtrans-65.8-26.3173.900000114A520 T521 V522 H526 Q529 R534A520-G524 PolarHBondContact O-N 2.75Å; T521-G524 WeakPolarHBondContact O-CA 3.46Å; T521-G524 PolarHBondContact O-N 3.34Å; V522-G524 PolarHBondContact O-N 3.16Å; G524-H526 VanDerWaalsContact C-N 3.32Å; G524-Q529 WeakPolarHBondContact O-CB 3.36Å; G524-R534 WeakPolarHBondContact O-CA 3.34Å; G524-R534 WeakPolarHBondContact O-CG 3.43Å
525L96.4Very high95.9Very high5 Ų544.3 Ų44.33%0.02624%0.237CC..THydrogen-bonded Turntrans-76.1-16.6176.4-72.4177.9000114.4T521 V522 S523 R534 A537 V538 I541T521-L525 PolarHBondContact O-N 3.06Å; V522-L525 PolarHBondContact O-N 2.65Å; S523-L525 VanDerWaalsContact C-N 3.3Å; S523-L525 PolarHBondContact O-N 2.91Å; L525-R534 PolarHBondContact O-NE 2.95Å; L525-R534 VanDerWaalsContact O-NE 3.09Å; L525-A537 HydrophobicContact CD2-CB 3.93Å; L525-A537 HydrophobicContact CG-CB 4.13Å; L525-V538 HydrophobicContact CD2-CG2 3.7Å; L525-I541 HydrophobicContact CD1-CD1 3.29Å; L525-I541 HydrophobicContact CD2-CD1 3.98Å; L525-I541 HydrophobicContact CG-CD1 3.83Å
526H95.3Very high96Very high97 Ų9739.9 Ų39.945%0.44922%0.217SC..SBendtrans-59.3145.5-172.3-167.9-93.5000112.5S523 G524 T528 Q529 R534S523-H526 WeakPolarHBondContact O-CB 3.41Å; S523-H526 PolarHBondContact O-N 3.35Å; G524-H526 VanDerWaalsContact C-N 3.32Å; H526-T528 WeakPolarHBondContact ND1-CG2 3.31Å; H526-T528 PolarHBondContact ND1-N 2.81Å; H526-T528 PolarHBondContact ND1-OG1 2.91Å; H526-T528 PolarHBondContact O-N 3.28Å; H526-Q529 HydrophobicContact CB-CG 4.42Å; H526-Q529 WeakPolarHBondContact O-CB 3.5Å; H526-Q529 PolarHBondContact O-N 3.22Å; H526-R534 WeakPolarHBondContact O-CD 3.27Å
527E91.8Very high96.2Very high125 Ų12535.1 Ų35.158%0.58420%0.195SC*.THydrogen-bonded Turntrans-59.7-21.1-17564.7177.4-174.600114.7Q529 H570E527-Q529 VanDerWaalsContact C-N 3.31Å; E527-H570 IonicContact OE2-CE1 3.78Å; E527-H570 IonicContact OE2-NE2 3.98Å
528T92.8Very high96.3Very high105 Ų10535.1 Ų35.164%0.64420%0.195SC*.THydrogen-bonded Turntrans-80-12.7177.859.20000113.3H526H526-T528 WeakPolarHBondContact ND1-CG2 3.31Å; H526-T528 PolarHBondContact ND1-N 2.81Å; H526-T528 PolarHBondContact ND1-OG1 2.91Å; H526-T528 PolarHBondContact O-N 3.28Å
529Q95Very high96.3Very high67 Ų6736.5 Ų36.531%0.31320%0.2SC..SBendtrans-80.3148.3179.3-64.9-65.3-10.200110.6S523 G524 H526 E527 V533 R534S523-Q529 WeakPolarHBondContact O-CG 3.2Å; G524-Q529 WeakPolarHBondContact O-CB 3.36Å; H526-Q529 HydrophobicContact CB-CG 4.42Å; H526-Q529 WeakPolarHBondContact O-CB 3.5Å; H526-Q529 PolarHBondContact O-N 3.22Å; E527-Q529 VanDerWaalsContact C-N 3.31Å; Q529-V533 HydrophobicContact CB-CB 4.42Å; Q529-V533 HydrophobicContact CB-CG1 4.27Å; Q529-V533 HydrophobicContact CG-CG1 4.45Å; Q529-R534 HydrophobicContact CB-CG 3.76Å; Q529-R534 VanDerWaalsContact O-CD 3.32Å; Q529-R534 WeakPolarHBondContact O-CD 3.49Å
530P95.1Very high96.4Very high48 Ų4831.4 Ų31.431%0.31218%0.176SC..  trans-64.5153.3176.426-31000111P492 S532 V533 R534P492-P530 HydrophobicContact CB-CB 4.35Å; P492-P530 HydrophobicContact CB-CG 3.6Å; P530-S532 VanDerWaalsContact C-N 3.29Å; P530-S532 PolarHBondContact O-N 3.14Å; P530-V533 HydrophobicContact CG-CB 4.1Å; P530-V533 HydrophobicContact CG-CG2 3.7Å; P530-V533 PolarHBondContact O-N 2.73Å; P530-V533 VanDerWaalsContact O-N 3.12Å; P530-R534 PolarHBondContact O-N 2.68Å; P530-R534 VanDerWaalsContact O-N 3.16Å
531P96.1Very high96.5Very high47 Ų4730.1 Ų30.131%0.30517%0.166SC..Hα-helixtrans-52.6-41.9-176.9-28.735.7000114.2P382 V533 R534 I535 F575P382-P531 HydrophobicContact CB-CB 3.88Å; P382-P531 HydrophobicContact CG-CB 3.67Å; P382-P531 HydrophobicContact CG-CG 4.09Å; P531-V533 PolarHBondContact O-N 3.41Å; P531-R534 PolarHBondContact O-N 3.45Å; P531-I535 WeakPolarHBondContact O-CB 3.29Å; P531-I535 VanDerWaalsContact O-CG1 3.27Å; P531-I535 WeakPolarHBondContact O-CG1 3.37Å; P531-I535 PolarHBondContact O-N 3.44Å; P531-F575 HydrophobicContact CB-CE1 4.27Å; P531-F575 HydrophobicContact CB-CZ 3.85Å; P531-F575 HydrophobicContact CG-CZ 3.98Å
532S96.1Very high96.5Very high10 Ų1033.5 Ų33.57%0.0718%0.178CC..Hα-helixtrans-61.6-38.6179.951.80000113.6P530 S536P530-S532 VanDerWaalsContact C-N 3.29Å; P530-S532 PolarHBondContact O-N 3.14Å; S532-S536 WeakPolarHBondContact O-CB 3.17Å; S532-S536 PolarHBondContact O-N 3.28Å; S532-S536 PolarHBondContact O-OG 3.45Å
533V97.2Very high96.5Very high4 Ų432.7 Ų32.72%0.02417%0.174CC..Hα-helixtrans-68.5-42.7174.8173.40000110.6P492 L495 L499 Q529 P530 P531 S536 A537P492-V533 HydrophobicContact CB-CG2 3.79Å; P492-V533 WeakPolarHBondContact O-CG2 3.35Å; L495-V533 HydrophobicContact CB-CG2 4.05Å; L499-V533 HydrophobicContact CD1-CG1 4.3Å; Q529-V533 HydrophobicContact CB-CB 4.42Å; Q529-V533 HydrophobicContact CB-CG1 4.27Å; Q529-V533 HydrophobicContact CG-CG1 4.45Å; P530-V533 HydrophobicContact CG-CB 4.1Å; P530-V533 HydrophobicContact CG-CG2 3.7Å; P530-V533 PolarHBondContact O-N 2.73Å; P530-V533 VanDerWaalsContact O-N 3.12Å; P531-V533 PolarHBondContact O-N 3.41Å; V533-S536 PolarHBondContact O-N 2.91Å; V533-A537 WeakPolarHBondContact O-CB 3.02Å; V533-A537 PolarHBondContact O-N 3.24Å
534R97.6Very high96.5Very high5 Ų530.1 Ų30.12%0.01916%0.156CC..Hα-helixtrans-64-45.7179.3-66.6176.870.8-155.3-7.3111.4G524 L525 H526 Q529 P530 P531 A537 V538 H570 L571G524-R534 WeakPolarHBondContact O-CA 3.34Å; G524-R534 WeakPolarHBondContact O-CG 3.43Å; L525-R534 PolarHBondContact O-NE 2.95Å; L525-R534 VanDerWaalsContact O-NE 3.09Å; H526-R534 WeakPolarHBondContact O-CD 3.27Å; Q529-R534 HydrophobicContact CB-CG 3.76Å; Q529-R534 VanDerWaalsContact O-CD 3.32Å; Q529-R534 WeakPolarHBondContact O-CD 3.49Å; P530-R534 PolarHBondContact O-N 2.68Å; P530-R534 VanDerWaalsContact O-N 3.16Å; P531-R534 PolarHBondContact O-N 3.45Å; R534-A537 WeakPolarHBondContact O-CB 3.4Å; R534-A537 PolarHBondContact O-N 3.08Å; R534-V538 WeakPolarHBondContact O-CG2 3.22Å; R534-V538 PolarHBondContact O-N 3.11Å; R534-H570 PolarHBondContact NH2-CD2 3.36Å; R534-L571 HydrophobicContact CB-CD1 4.07Å; R534-L571 VanDerWaalsContact NH2-CD1 3.26Å
535I97.7Very high96.6Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-59.8-47.2175.5-71.7164.8000110.7P382 F385 V386 P531 A537 V538 R539 V579 L582P382-I535 HydrophobicContact CB-CD1 3.76Å; F385-I535 HydrophobicContact CD1-CB 4.26Å; F385-I535 HydrophobicContact CD1-CD1 4.12Å; F385-I535 HydrophobicContact CD1-CG2 3.87Å; F385-I535 HydrophobicContact CE1-CB 4.17Å; F385-I535 HydrophobicContact CE1-CG2 3.8Å; V386-I535 HydrophobicContact CG2-CD1 4.08Å; V386-I535 HydrophobicContact CG2-CG1 4.41Å; V386-I535 HydrophobicContact CG2-CG2 3.67Å; P531-I535 WeakPolarHBondContact O-CB 3.29Å; P531-I535 VanDerWaalsContact O-CG1 3.27Å; P531-I535 WeakPolarHBondContact O-CG1 3.37Å; P531-I535 PolarHBondContact O-N 3.44Å; I535-A537 VanDerWaalsContact C-N 3.28Å; I535-A537 PolarHBondContact O-N 3.14Å; I535-V538 WeakPolarHBondContact O-CB 3.29Å; I535-V538 PolarHBondContact O-N 3.19Å; I535-V538 VanDerWaalsContact O-N 3.09Å; I535-R539 PolarHBondContact O-N 3.48Å; I535-R539 VanDerWaalsContact O-N 3.1Å; I535-V579 HydrophobicContact CD1-CG1 4.45Å; I535-V579 HydrophobicContact CD1-CG2 3.9Å; I535-V579 HydrophobicContact CG1-CG1 4.15Å; I535-V579 HydrophobicContact CG1-CG2 4.41Å; I535-L582 HydrophobicContact CG2-CD2 3.84Å
536S97.9Very high96.5Very high8 Ų831.7 Ų31.76%0.05616%0.164CC..Hα-helixtrans-64.4-34.2177.9-55.90000112.5G496 S532 V533 V538 R539 A540G496-S536 WeakPolarHBondContact CA-OG 3.15Å; G496-S536 WeakPolarHBondContact O-CB 3.4Å; S532-S536 WeakPolarHBondContact O-CB 3.17Å; S532-S536 PolarHBondContact O-N 3.28Å; S532-S536 PolarHBondContact O-OG 3.45Å; V533-S536 PolarHBondContact O-N 2.91Å; S536-V538 VanDerWaalsContact C-N 3.33Å; S536-R539 PolarHBondContact O-N 2.82Å; S536-A540 WeakPolarHBondContact O-CB 3.32Å; S536-A540 PolarHBondContact O-N 3.28Å
537A98.3Very high96.3Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-65.4-36.1173.500000112L499 T521 L525 V533 R534 I535 A540 I541L499-A537 HydrophobicContact CD1-CB 3.95Å; T521-A537 HydrophobicContact CG2-CB 4.14Å; T521-A537 WeakPolarHBondContact CG2-O 3.44Å; L525-A537 HydrophobicContact CD2-CB 3.93Å; L525-A537 HydrophobicContact CG-CB 4.13Å; V533-A537 WeakPolarHBondContact O-CB 3.02Å; V533-A537 PolarHBondContact O-N 3.24Å; R534-A537 WeakPolarHBondContact O-CB 3.4Å; R534-A537 PolarHBondContact O-N 3.08Å; I535-A537 VanDerWaalsContact C-N 3.28Å; I535-A537 PolarHBondContact O-N 3.14Å; A537-A540 PolarHBondContact O-N 3.43Å; A537-I541 WeakPolarHBondContact O-CD1 3.44Å; A537-I541 VanDerWaalsContact O-CG1 3.22Å; A537-I541 WeakPolarHBondContact O-CG1 3.38Å; A537-I541 PolarHBondContact O-N 3Å
538V98.4Very high96.4Very high0 Ų022.7 Ų22.70%012%0.122CC..Hα-helixtrans-62.1-50172.71770000110.9L525 R534 I535 S536 A540 I541 W542 L568 L571 L582 V583 T586L525-V538 HydrophobicContact CD2-CG2 3.7Å; R534-V538 WeakPolarHBondContact O-CG2 3.22Å; R534-V538 PolarHBondContact O-N 3.11Å; I535-V538 WeakPolarHBondContact O-CB 3.29Å; I535-V538 PolarHBondContact O-N 3.19Å; I535-V538 VanDerWaalsContact O-N 3.09Å; S536-V538 VanDerWaalsContact C-N 3.33Å; V538-A540 VanDerWaalsContact C-N 3.27Å; V538-A540 PolarHBondContact O-N 2.81Å; V538-I541 WeakPolarHBondContact O-CB 3.45Å; V538-I541 PolarHBondContact O-N 3.21Å; V538-I541 VanDerWaalsContact O-N 3.08Å; V538-W542 PolarHBondContact O-N 3.35Å; V538-L568 HydrophobicContact CB-CD2 4.41Å; V538-L568 HydrophobicContact CG1-CD2 3.95Å; V538-L568 HydrophobicContact CG2-CD2 3.76Å; V538-L571 HydrophobicContact CG2-CD2 3.53Å; V538-L582 HydrophobicContact CB-CD2 4.37Å; V538-L582 HydrophobicContact CB-CG 4.47Å; V538-L582 HydrophobicContact CG1-CD1 4.24Å; V538-L582 HydrophobicContact CG1-CD2 4.19Å; V538-L582 HydrophobicContact CG1-CG 3.76Å; V538-V583 HydrophobicContact CG1-CG2 4.29Å; V538-V583 HydrophobicContact CG2-CG2 4.26Å; V538-T586 HydrophobicContact CG1-CG2 3.92Å; V538-T586 WeakPolarHBondContact CG1-OG1 3.48Å
539R97.7Very high96.4Very high30 Ų3023 Ų2311%0.11311%0.114CC..Hα-helixtrans-58.1-39.9174.9-70.8-176.1168.2178.5-2.7112.5V386 E389 D390 I535 S536 W542 G543 L582V386-R539 PolarHBondContact O-NH2 3.16Å; E389-R539 VanDerWaalsContact O-CZ 3.27Å; E389-R539 PolarHBondContact O-NH1 3.04Å; E389-R539 PolarHBondContact O-NH2 3.17Å; D390-R539 IonicContact OD2-NH2 3.59Å; I535-R539 PolarHBondContact O-N 3.48Å; I535-R539 VanDerWaalsContact O-N 3.1Å; S536-R539 PolarHBondContact O-N 2.82Å; R539-W542 PolarHBondContact O-N 2.88Å; R539-G543 PolarHBondContact O-N 3.22Å; R539-L582 HydrophobicContact CG-CD1 3.76Å; R539-L582 HydrophobicContact CG-CD2 3.91Å; R539-L582 HydrophobicContact CG-CG 4.46Å
540A98Very high96.1Very high0 Ų025.1 Ų25.10%013%0.132CC..Hα-helixtrans-63.8-41.7175.900000111.9L499 S503 T521 S536 A537 V538 G543 Y544L499-A540 HydrophobicContact CB-CB 4.15Å; L499-A540 WeakPolarHBondContact O-CB 3.37Å; S503-A540 WeakPolarHBondContact CB-O 3.28Å; T521-A540 HydrophobicContact CG2-CB 3.89Å; S536-A540 WeakPolarHBondContact O-CB 3.32Å; S536-A540 PolarHBondContact O-N 3.28Å; A537-A540 PolarHBondContact O-N 3.43Å; V538-A540 VanDerWaalsContact C-N 3.27Å; V538-A540 PolarHBondContact O-N 2.81Å; A540-G543 PolarHBondContact O-N 3.46Å; A540-Y544 HydrophobicContact CB-CE2 4.21Å; A540-Y544 WeakPolarHBondContact O-CD2 3.36Å; A540-Y544 PolarHBondContact O-N 3.08Å
541I98.4Very high95.7Very high2 Ų225.3 Ų25.31%0.0113%0.134CC..Hα-helixtrans-61.7-48177-71.1159000110.8T521 L525 A537 V538 G543 Y544 C545 I564 T586 V590T521-I541 HydrophobicContact CG2-CD1 4.18Å; T521-I541 HydrophobicContact CG2-CG1 3.65Å; L525-I541 HydrophobicContact CD1-CD1 3.29Å; L525-I541 HydrophobicContact CD2-CD1 3.98Å; L525-I541 HydrophobicContact CG-CD1 3.83Å; A537-I541 WeakPolarHBondContact O-CD1 3.44Å; A537-I541 VanDerWaalsContact O-CG1 3.22Å; A537-I541 WeakPolarHBondContact O-CG1 3.38Å; A537-I541 PolarHBondContact O-N 3Å; V538-I541 WeakPolarHBondContact O-CB 3.45Å; V538-I541 PolarHBondContact O-N 3.21Å; V538-I541 VanDerWaalsContact O-N 3.08Å; I541-G543 VanDerWaalsContact C-N 3.26Å; I541-G543 PolarHBondContact O-N 3.26Å; I541-Y544 PolarHBondContact O-N 2.8Å; I541-C545 PolarHBondContact O-N 2.82Å; I541-C545 PolarHBondContact O-SG 3.41Å; I541-C545 VanDerWaalsContact O-SG 3.33Å; I541-I564 HydrophobicContact CD1-CG1 4.09Å; I541-I564 HydrophobicContact CD1-CG2 4.09Å; I541-I564 HydrophobicContact CG1-CD1 4.38Å; I541-I564 HydrophobicContact CG1-CG1 4.4Å; I541-I564 HydrophobicContact CG2-CD1 4.32Å; I541-I564 HydrophobicContact CG2-CG2 3.81Å; I541-T586 HydrophobicContact CB-CG2 4.1Å; I541-T586 HydrophobicContact CG2-CG2 3.74Å; I541-V590 HydrophobicContact CG2-CG2 3.88Å
542W97.5Very high95.3Very high71 Ų7131.4 Ų31.427%0.26916%0.159SC..Hα-helixtrans-53-49.1174.1-175.6107.2000110.3V538 R539 Y544 C545 D546 E585 T586 I589V538-W542 PolarHBondContact O-N 3.35Å; R539-W542 PolarHBondContact O-N 2.88Å; W542-Y544 PolarHBondContact O-N 3.45Å; W542-C545 WeakPolarHBondContact O-CB 3.11Å; W542-C545 PolarHBondContact O-N 2.82Å; W542-C545 VanDerWaalsContact O-N 3.15Å; W542-D546 HydrophobicContact CE3-CB 4.38Å; W542-D546 HydrophobicContact CH2-CB 4.38Å; W542-D546 HydrophobicContact CZ3-CB 4.14Å; W542-D546 PolarHBondContact O-N 2.99Å; W542-E585 PolarHBondContact NE1-OE1 3.28Å; W542-T586 HydrophobicContact CB-CG2 4.14Å; W542-I589 HydrophobicContact CG-CG2 4.25Å
543G96.1Very high95.1Very high4 Ų432.8 Ų32.84%0.04117%0.168CC..Hα-helixtrans-61.2-39.7178.500000113.8R539 A540 I541 Q547R539-G543 PolarHBondContact O-N 3.22Å; A540-G543 PolarHBondContact O-N 3.46Å; I541-G543 VanDerWaalsContact C-N 3.26Å; I541-G543 PolarHBondContact O-N 3.26Å; G543-Q547 WeakPolarHBondContact O-CB 3.48Å; G543-Q547 WeakPolarHBondContact O-CG 3.37Å; G543-Q547 PolarHBondContact O-N 2.87Å
544Y97.5Very high94.7Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-65.7-43174.1-74.4-65.2000112A502 S503 T506 F517 L518 T521 A540 I541 W542 L548A502-Y544 WeakPolarHBondContact CB-OH 3.46Å; S503-Y544 PolarHBondContact N-OH 3.04Å; T506-Y544 HydrophobicContact CG2-CD1 3.38Å; T506-Y544 HydrophobicContact CG2-CE1 3.53Å; F517-Y544 VanDerWaalsContact CB-OH 3.26Å; F517-Y544 WeakPolarHBondContact CB-OH 3.15Å; L518-Y544 HydrophobicContact CD2-CD1 4.06Å; L518-Y544 HydrophobicContact CD2-CD2 3.65Å; L518-Y544 HydrophobicContact CD2-CE1 4.43Å; L518-Y544 HydrophobicContact CD2-CE2 4.08Å; L518-Y544 HydrophobicContact CD2-CG 3.69Å; T521-Y544 HydrophobicContact CG2-CE2 4.49Å; A540-Y544 HydrophobicContact CB-CE2 4.21Å; A540-Y544 WeakPolarHBondContact O-CD2 3.36Å; A540-Y544 PolarHBondContact O-N 3.08Å; I541-Y544 PolarHBondContact O-N 2.8Å; W542-Y544 PolarHBondContact O-N 3.45Å; Y544-L548 WeakPolarHBondContact O-CB 3.17Å; Y544-L548 WeakPolarHBondContact O-CD1 3.42Å; Y544-L548 WeakPolarHBondContact O-CG 3.17Å; Y544-L548 PolarHBondContact O-N 3.48Å
545C96.7Very high94.4Very high0 Ų039.7 Ų39.70%020%0.203CC..Hα-helixtrans-61.6-48.7179-71.50000111.3I541 W542 K549 I589 V593I541-C545 PolarHBondContact O-N 2.82Å; I541-C545 PolarHBondContact O-SG 3.41Å; I541-C545 VanDerWaalsContact O-SG 3.33Å; W542-C545 WeakPolarHBondContact O-CB 3.11Å; W542-C545 PolarHBondContact O-N 2.82Å; W542-C545 VanDerWaalsContact O-N 3.15Å; C545-K549 VanDerWaalsContact O-CB 3.24Å; C545-K549 WeakPolarHBondContact O-CB 3.13Å; C545-K549 PolarHBondContact O-N 3.13Å; C545-K549 VanDerWaalsContact O-N 3.08Å; C545-I589 HydrophobicContact CB-CB 4.49Å; C545-I589 HydrophobicContact CB-CD1 3.84Å; C545-I589 HydrophobicContact CB-CG1 3.86Å; C545-I589 HydrophobicContact CB-CG2 3.95Å; C545-V593 HydrophobicContact CB-CG2 4.08Å
546D94.7Very high94.2Very high42 Ų4240.4 Ų40.423%0.22521%0.207CC..Hα-helixtrans-58.2-59.4177.4171.756.1000111.6W542 L548 K549 V550 I589W542-D546 HydrophobicContact CE3-CB 4.38Å; W542-D546 HydrophobicContact CH2-CB 4.38Å; W542-D546 HydrophobicContact CZ3-CB 4.14Å; W542-D546 PolarHBondContact O-N 2.99Å; D546-L548 PolarHBondContact O-N 3.11Å; D546-K549 WeakPolarHBondContact O-CB 3.31Å; D546-K549 PolarHBondContact O-N 3.12Å; D546-K549 VanDerWaalsContact O-N 3.09Å; D546-V550 PolarHBondContact O-N 2.99Å; D546-V550 VanDerWaalsContact O-N 3.08Å; D546-I589 HydrophobicContact CB-CD1 3.87Å
547Q92.3Very high94Very high30 Ų3040.1 Ų40.114%0.1421%0.205CC..Hα-helixtrans-65.8-37.4-173.1-63.6-66.9-59.700112.9T506 G543 K549 V550 S551T506-Q547 HydrophobicContact CG2-CB 4.43Å; T506-Q547 WeakPolarHBondContact OG1-CB 3.18Å; G543-Q547 WeakPolarHBondContact O-CB 3.48Å; G543-Q547 WeakPolarHBondContact O-CG 3.37Å; G543-Q547 PolarHBondContact O-N 2.87Å; Q547-K549 VanDerWaalsContact C-N 3.32Å; Q547-V550 PolarHBondContact O-N 2.93Å; Q547-S551 PolarHBondContact O-N 3.01Å; Q547-S551 PolarHBondContact O-OG 3.11Å
548L93.5Very high93.8Very high4 Ų444.5 Ų44.52%0.02123%0.226CC..Hα-helixtrans-75.3-21.4178.2-64.7173000112.6I514 Y544 D546 E552 S553 L557I514-L548 HydrophobicContact CD1-CD2 4.43Å; Y544-L548 WeakPolarHBondContact O-CB 3.17Å; Y544-L548 WeakPolarHBondContact O-CD1 3.42Å; Y544-L548 WeakPolarHBondContact O-CG 3.17Å; Y544-L548 PolarHBondContact O-N 3.48Å; D546-L548 PolarHBondContact O-N 3.11Å; L548-E552 PolarHBondContact O-N 3.37Å; L548-S553 PolarHBondContact O-N 3.15Å; L548-L557 HydrophobicContact CD1-CD1 3.93Å; L548-L557 HydrophobicContact CD1-CD2 4.05Å; L548-L557 HydrophobicContact CD1-CG 3.74Å
549K91.9Very high93.7Very high110 Ų11048.9 Ų48.948%0.47825%0.254SS..Hα-helixtrans-71.6-46.5170.7-171174.6-176.4176.30110.2C545 D546 Q547 S551 E552 T554 T592C545-K549 VanDerWaalsContact O-CB 3.24Å; C545-K549 WeakPolarHBondContact O-CB 3.13Å; C545-K549 PolarHBondContact O-N 3.13Å; C545-K549 VanDerWaalsContact O-N 3.08Å; D546-K549 WeakPolarHBondContact O-CB 3.31Å; D546-K549 PolarHBondContact O-N 3.12Å; D546-K549 VanDerWaalsContact O-N 3.09Å; Q547-K549 VanDerWaalsContact C-N 3.32Å; K549-S551 PolarHBondContact O-N 3.2Å; K549-E552 PolarHBondContact O-N 3.42Å; K549-E552 VanDerWaalsContact O-N 3.1Å; K549-T554 HydrophobicContact CB-CG2 4.29Å; K549-T592 PolarHBondContact NZ-OG1 3.4Å
550V89Confident93.7Very high113 Ų11348.3 Ų48.369%0.68525%0.252SS*.Hα-helixtrans-59.8-35.9174.4176.10000111.7D546 Q547D546-V550 PolarHBondContact O-N 2.99Å; D546-V550 VanDerWaalsContact O-N 3.08Å; Q547-V550 PolarHBondContact O-N 2.93Å
551S87.7Confident93.6Very high52 Ų5248.3 Ų48.336%0.36425%0.252SS..THydrogen-bonded Turntrans-91.310.7178.282.50000114.8Q547 K549 S553Q547-S551 PolarHBondContact O-N 3.01Å; Q547-S551 PolarHBondContact O-OG 3.11Å; K549-S551 PolarHBondContact O-N 3.2Å; S551-S553 PolarHBondContact O-N 3.03Å; S551-S553 PolarHBondContact O-OG 3.06Å
552E87.8Confident93.6Very high175 Ų17550.9 Ų50.982%0.81827%0.269SS*.THydrogen-bonded Turntrans50.531.1-178.7-58-175161.400114.6L548 K549L548-E552 PolarHBondContact O-N 3.37Å; K549-E552 PolarHBondContact O-N 3.42Å; K549-E552 VanDerWaalsContact O-N 3.1Å
553S90.2Very high93.6Very high38 Ų3850.6 Ų50.627%0.26628%0.278SS..  trans-116.126-173.3-63.50000113.4L548 S551 H555 V556L548-S553 PolarHBondContact O-N 3.15Å; S551-S553 PolarHBondContact O-N 3.03Å; S551-S553 PolarHBondContact O-OG 3.06Å; S553-H555 PolarHBondContact O-N 3.44Å; S553-H555 VanDerWaalsContact O-N 3.11Å; S553-V556 WeakPolarHBondContact O-CG2 3.27Å; S553-V556 PolarHBondContact O-N 2.94Å
554T90.5Very high93.6Very high39 Ų3950.5 Ų50.524%0.23928%0.276CS..G310 helixtrans-59.2-23.7-177.554.90000114.3K549 V556 L557 V593K549-T554 HydrophobicContact CB-CG2 4.29Å; T554-V556 PolarHBondContact O-N 3.33Å; T554-L557 WeakPolarHBondContact O-CB 3.33Å; T554-L557 PolarHBondContact O-N 3.33Å; T554-V593 HydrophobicContact CG2-CG1 4.3Å
555H91.5Very high93.6Very high115 Ų11550.5 Ų50.553%0.53228%0.276SS..G310 helixtrans-54.9-26.5176.566.3-83.5000113.8S553 L557 Q558S553-H555 PolarHBondContact O-N 3.44Å; S553-H555 VanDerWaalsContact O-N 3.11Å; H555-L557 PolarHBondContact O-N 3.43Å; H555-Q558 PolarHBondContact O-N 3.11Å
556V92.3Very high93.6Very high16 Ų1654.3 Ų54.310%0.09730%0.297CS..G310 helixtrans-66.4-25.9177.7-176.50000112.1I514 Q515 L518 S553 T554 P559I514-V556 HydrophobicContact CB-CG1 4.42Å; I514-V556 HydrophobicContact CG2-CG1 3.74Å; Q515-V556 HydrophobicContact CG-CG1 4.37Å; L518-V556 HydrophobicContact CD1-CG1 3.97Å; S553-V556 WeakPolarHBondContact O-CG2 3.27Å; S553-V556 PolarHBondContact O-N 2.94Å; T554-V556 PolarHBondContact O-N 3.33Å; V556-P559 WeakPolarHBondContact O-CD 3.3Å
557L94.5Very high93.7Very high1 Ų152.9 Ų52.91%0.00529%0.292CS..THydrogen-bonded Turntrans-79.3-25.8-179.9-68.3167.2000113.1L518 L548 T554 H555 P559 F560 L561 V593L518-L557 HydrophobicContact CD1-CD2 3.92Å; L518-L557 HydrophobicContact CD2-CD2 3.58Å; L518-L557 HydrophobicContact CG-CD2 4.43Å; L548-L557 HydrophobicContact CD1-CD1 3.93Å; L548-L557 HydrophobicContact CD1-CD2 4.05Å; L548-L557 HydrophobicContact CD1-CG 3.74Å; T554-L557 WeakPolarHBondContact O-CB 3.33Å; T554-L557 PolarHBondContact O-N 3.33Å; H555-L557 PolarHBondContact O-N 3.43Å; L557-P559 VanDerWaalsContact O-N 3.13Å; L557-F560 PolarHBondContact O-N 3.46Å; L557-L561 HydrophobicContact CB-CD2 4.17Å; L557-L561 HydrophobicContact CB-CG 4.48Å; L557-L561 WeakPolarHBondContact O-CG 3.47Å; L557-L561 PolarHBondContact O-N 3.49Å; L557-V593 HydrophobicContact CB-CG1 4.04Å; L557-V593 HydrophobicContact CD1-CG1 3.73Å; L557-V593 HydrophobicContact CD1-CG2 4.21Å
558Q94.5Very high94Very high93 Ų9351.4 Ų51.444%0.43529%0.285SS..THydrogen-bonded Turntrans-47.8-44.2-171.7-72.1-176.9-32.800115H555 F560 D594H555-Q558 PolarHBondContact O-N 3.11Å; Q558-F560 PolarHBondContact O-N 2.86Å; Q558-D594 PolarHBondContact NE2-OD2 2.73Å
559P95.5Very high94.1Very high91 Ų9153.1 Ų53.159%0.59129%0.294SS*.THydrogen-bonded Turntrans-65.1-23179.8-21.234.6000114.1V556 L557V556-P559 WeakPolarHBondContact O-CD 3.3Å; L557-P559 VanDerWaalsContact O-N 3.13Å
560F97.3Very high94.2Very high19 Ų1951.2 Ų51.28%0.08329%0.287CS..THydrogen-bonded Turntrans-99.8-21.4-173-57.8-81000112.9Q515 L518 Q519 V522 L557 Q558 P562 S563 I564Q515-F560 HydrophobicContact CG-CE2 4.49Å; L518-F560 HydrophobicContact CB-CD1 4.26Å; L518-F560 HydrophobicContact CB-CD2 3.96Å; L518-F560 HydrophobicContact CB-CE1 4.13Å; L518-F560 HydrophobicContact CB-CE2 3.82Å; L518-F560 HydrophobicContact CB-CG 4.17Å; L518-F560 HydrophobicContact CB-CZ 3.9Å; L518-F560 HydrophobicContact CD1-CD2 3.82Å; L518-F560 HydrophobicContact CD1-CE2 3.8Å; L518-F560 HydrophobicContact CG-CD2 4.5Å; L518-F560 HydrophobicContact CG-CE2 4.49Å; Q519-F560 HydrophobicContact CB-CE1 4.1Å; V522-F560 HydrophobicContact CG2-CB 4Å; V522-F560 HydrophobicContact CG2-CD1 3.97Å; V522-F560 HydrophobicContact CG2-CG 4.39Å; L557-F560 PolarHBondContact O-N 3.46Å; Q558-F560 PolarHBondContact O-N 2.86Å; F560-P562 VanDerWaalsContact C-CD 3.42Å; F560-S563 PolarHBondContact O-N 2.97Å; F560-I564 HydrophobicContact CB-CD1 3.98Å; F560-I564 HydrophobicContact CB-CG1 4.48Å; F560-I564 WeakPolarHBondContact O-CG1 3.14Å; F560-I564 PolarHBondContact O-N 3.19Å
561L97.1Very high94.5Very high0 Ų045.9 Ų45.90%025%0.254CS..Hα-helixtrans-50.2-43-177.2-65.3177.9000114.4L557 S563 I564 L565 V590 V593 D594 F597L557-L561 HydrophobicContact CB-CD2 4.17Å; L557-L561 HydrophobicContact CB-CG 4.48Å; L557-L561 WeakPolarHBondContact O-CG 3.47Å; L557-L561 PolarHBondContact O-N 3.49Å; L561-S563 PolarHBondContact O-N 3.35Å; L561-I564 PolarHBondContact O-N 3.11Å; L561-L565 WeakPolarHBondContact O-CB 3.39Å; L561-L565 PolarHBondContact O-N 3.18Å; L561-V590 HydrophobicContact CD2-CG1 4.33Å; L561-V593 HydrophobicContact CD1-CG1 4.36Å; L561-V593 HydrophobicContact CD2-CB 4.47Å; L561-V593 HydrophobicContact CD2-CG1 4.24Å; L561-D594 HydrophobicContact CD1-CB 3.98Å; L561-F597 VanDerWaalsContact C-CZ 3.49Å; L561-F597 HydrophobicContact CB-CD1 3.8Å; L561-F597 HydrophobicContact CB-CD2 4.1Å; L561-F597 HydrophobicContact CB-CE1 3.56Å; L561-F597 HydrophobicContact CB-CE2 3.87Å; L561-F597 HydrophobicContact CB-CG 4.06Å; L561-F597 HydrophobicContact CB-CZ 3.58Å; L561-F597 HydrophobicContact CD1-CB 4.02Å; L561-F597 HydrophobicContact CD1-CD1 3.64Å; L561-F597 HydrophobicContact CD1-CD2 4.47Å; L561-F597 HydrophobicContact CD1-CE1 4.25Å; L561-F597 HydrophobicContact CD1-CG 3.76Å; L561-F597 HydrophobicContact CG-CD1 4.26Å; L561-F597 HydrophobicContact CG-CE1 4.39Å
562P97.1Very high94.9Very high55 Ų5543.5 Ų43.536%0.35724%0.237SC..Hα-helixtrans-60.3-43.3178.2-21.431.2000113.1F560 D566 F597F560-P562 VanDerWaalsContact C-CD 3.42Å; P562-D566 PolarHBondContact O-N 2.78Å; P562-D566 VanDerWaalsContact O-N 3.12Å; P562-F597 HydrophobicContact CB-CE2 4.32Å; P562-F597 HydrophobicContact CG-CE2 3.83Å
563S97Very high95.1Very high65 Ų6538.9 Ų38.946%0.45523%0.229SC..Hα-helixtrans-73.4-36-179.8-59.40000112.3V522 F560 L561 G567V522-S563 VanDerWaalsContact CG1-CB 3.47Å; F560-S563 PolarHBondContact O-N 2.97Å; L561-S563 PolarHBondContact O-N 3.35Å; S563-G567 PolarHBondContact O-N 3.24Å
564I98Very high95.2Very high2 Ų241.6 Ų41.61%0.0124%0.238CC..Hα-helixtrans-58.7-53.1172.1-71.8170.6000109.6V522 I541 F560 L561 D566 G567 L568 V590V522-I564 HydrophobicContact CG2-CD1 4.41Å; V522-I564 HydrophobicContact CG2-CG1 3.83Å; I541-I564 HydrophobicContact CD1-CG1 4.09Å; I541-I564 HydrophobicContact CD1-CG2 4.09Å; I541-I564 HydrophobicContact CG1-CD1 4.38Å; I541-I564 HydrophobicContact CG1-CG1 4.4Å; I541-I564 HydrophobicContact CG2-CD1 4.32Å; I541-I564 HydrophobicContact CG2-CG2 3.81Å; F560-I564 HydrophobicContact CB-CD1 3.98Å; F560-I564 HydrophobicContact CB-CG1 4.48Å; F560-I564 WeakPolarHBondContact O-CG1 3.14Å; F560-I564 PolarHBondContact O-N 3.19Å; L561-I564 PolarHBondContact O-N 3.11Å; I564-D566 PolarHBondContact O-N 3.43Å; I564-G567 PolarHBondContact O-N 2.92Å; I564-G567 VanDerWaalsContact O-N 3.15Å; I564-L568 HydrophobicContact CG2-CD1 3.8Å; I564-L568 HydrophobicContact CG2-CG 4.24Å; I564-L568 WeakPolarHBondContact O-CG 3.46Å; I564-L568 PolarHBondContact O-N 3.14Å; I564-V590 HydrophobicContact CG2-CG1 4.48Å; I564-V590 HydrophobicContact CG2-CG2 4.09Å
565L97.5Very high95.4Very high1 Ų141.3 Ų41.31%0.00523%0.233CC..Hα-helixtrans-58.8-48.4-178.2178.363.6000112.2L561 G567 L568 I569 L587 F597 M601 I605L561-L565 WeakPolarHBondContact O-CB 3.39Å; L561-L565 PolarHBondContact O-N 3.18Å; L565-G567 VanDerWaalsContact C-N 3.29Å; L565-G567 PolarHBondContact O-N 3.08Å; L565-L568 PolarHBondContact O-N 3.33Å; L565-I569 HydrophobicContact CD1-CD1 3.85Å; L565-I569 HydrophobicContact CD1-CG1 4.22Å; L565-I569 HydrophobicContact CG-CD1 3.96Å; L565-I569 WeakPolarHBondContact O-CG1 3.3Å; L565-I569 PolarHBondContact O-N 3.21Å; L565-L587 HydrophobicContact CD1-CD1 3.47Å; L565-L587 VanDerWaalsContact CD1-CD1 3.47Å; L565-F597 HydrophobicContact CB-CZ 4.33Å; L565-F597 HydrophobicContact CD2-CE1 4.46Å; L565-F597 HydrophobicContact CD2-CZ 4.13Å; L565-M601 HydrophobicContact CD2-CB 3.53Å; L565-M601 HydrophobicContact CD2-CG 3.68Å; L565-M601 HydrophobicContact CD2-SD 4.25Å; L565-I605 HydrophobicContact CD1-CD1 4.31Å; L565-I605 HydrophobicContact CD1-CG1 3.86Å; L565-I605 HydrophobicContact CD2-CD1 4.24Å; L565-I605 HydrophobicContact CD2-CG1 4.07Å
566D96.3Very high95.4Very high79 Ų7938.4 Ų38.442%0.42223%0.226SC..Hα-helixtrans-63.3-37.2178.7-76.1-22.1000111.3P562 I564 H570 K604P562-D566 PolarHBondContact O-N 2.78Å; P562-D566 VanDerWaalsContact O-N 3.12Å; I564-D566 PolarHBondContact O-N 3.43Å; D566-H570 VanDerWaalsContact O-CB 3.3Å; D566-H570 WeakPolarHBondContact O-CB 3.48Å; D566-H570 PolarHBondContact O-N 3.46Å; D566-H570 VanDerWaalsContact O-N 3.08Å; D566-K604 IonicContact OD1-NZ 3.72Å; D566-K604 PolarHBondContact OD1-NZ 3.24Å; D566-K604 IonicContact OD2-NZ 2.81Å
567G96.6Very high95.3Very high12 Ų1240 Ų4012%0.12424%0.238CC..Hα-helixtrans-66.4-42.9175.800000113.8S563 I564 L565 H570 L571S563-G567 PolarHBondContact O-N 3.24Å; I564-G567 PolarHBondContact O-N 2.92Å; I564-G567 VanDerWaalsContact O-N 3.15Å; L565-G567 VanDerWaalsContact C-N 3.29Å; L565-G567 PolarHBondContact O-N 3.08Å; G567-H570 PolarHBondContact O-N 3.2Å; G567-L571 WeakPolarHBondContact O-CB 3.27Å; G567-L571 PolarHBondContact O-N 2.95Å
568L97.8Very high95.3Very high0 Ų042.7 Ų42.70%025%0.25CS..Hα-helixtrans-63.5-50.5176.4-69.4176000111.3V538 I564 L565 H570 L571 A572 V583 T586 L587 V590V538-L568 HydrophobicContact CB-CD2 4.41Å; V538-L568 HydrophobicContact CG1-CD2 3.95Å; V538-L568 HydrophobicContact CG2-CD2 3.76Å; I564-L568 HydrophobicContact CG2-CD1 3.8Å; I564-L568 HydrophobicContact CG2-CG 4.24Å; I564-L568 WeakPolarHBondContact O-CG 3.46Å; I564-L568 PolarHBondContact O-N 3.14Å; L565-L568 PolarHBondContact O-N 3.33Å; L568-H570 VanDerWaalsContact C-N 3.26Å; L568-H570 PolarHBondContact O-N 3Å; L568-L571 PolarHBondContact O-N 3.42Å; L568-L571 VanDerWaalsContact O-N 3.1Å; L568-A572 PolarHBondContact O-N 3.32Å; L568-V583 HydrophobicContact CB-CG1 4.06Å; L568-V583 HydrophobicContact CD2-CG1 4.21Å; L568-V583 WeakPolarHBondContact O-CG1 3.29Å; L568-T586 HydrophobicContact CD1-CG2 4.11Å; L568-T586 HydrophobicContact CD2-CG2 4.03Å; L568-L587 HydrophobicContact CD1-CB 4.43Å; L568-L587 HydrophobicContact CD1-CD1 4.45Å; L568-V590 HydrophobicContact CD1-CG2 4.23Å
569I96.1Very high95.3Very high39 Ų3938.2 Ų38.220%0.223%0.23CC..Hα-helixtrans-58.5-41.4178.3-68.9172.1000110.7L565 A573 K604 F608L565-I569 HydrophobicContact CD1-CD1 3.85Å; L565-I569 HydrophobicContact CD1-CG1 4.22Å; L565-I569 HydrophobicContact CG-CD1 3.96Å; L565-I569 WeakPolarHBondContact O-CG1 3.3Å; L565-I569 PolarHBondContact O-N 3.21Å; I569-A573 PolarHBondContact O-N 3Å; I569-A573 VanDerWaalsContact O-N 3.13Å; I569-K604 HydrophobicContact CD1-CB 4.38Å; I569-F608 HydrophobicContact CG1-CD1 4.48Å; I569-F608 HydrophobicContact CG1-CD2 4.4Å; I569-F608 HydrophobicContact CG1-CG 4.31Å; I569-F608 HydrophobicContact CG2-CD2 4.01Å; I569-F608 HydrophobicContact CG2-CE2 4.33Å
570H94.8Very high95.4Very high71 Ų7133.9 Ų33.933%0.32920%0.201SC..Hα-helixtrans-66.6-37.4178.3-170.670.6000112.6E527 R534 D566 G567 L568 A573 Q574E527-H570 IonicContact OE2-CE1 3.78Å; E527-H570 IonicContact OE2-NE2 3.98Å; R534-H570 PolarHBondContact NH2-CD2 3.36Å; D566-H570 VanDerWaalsContact O-CB 3.3Å; D566-H570 WeakPolarHBondContact O-CB 3.48Å; D566-H570 PolarHBondContact O-N 3.46Å; D566-H570 VanDerWaalsContact O-N 3.08Å; G567-H570 PolarHBondContact O-N 3.2Å; L568-H570 VanDerWaalsContact C-N 3.26Å; L568-H570 PolarHBondContact O-N 3Å; H570-A573 PolarHBondContact O-N 3.32Å; H570-Q574 PolarHBondContact CD2-NE2 2.72Å; H570-Q574 PolarHBondContact CE1-NE2 2.88Å; H570-Q574 PolarHBondContact NE2-NE2 3.44Å; H570-Q574 WeakPolarHBondContact O-CG 3.37Å; H570-Q574 PolarHBondContact O-N 3.02Å
571L95.5Very high95.4Very high1 Ų133.7 Ų33.71%0.00520%0.201CC..Hα-helixtrans-69.3-44.4177.1-165.870.2000111.6R534 V538 G567 L568 A573 Q574 F575 V579 V583R534-L571 HydrophobicContact CB-CD1 4.07Å; R534-L571 VanDerWaalsContact NH2-CD1 3.26Å; V538-L571 HydrophobicContact CG2-CD2 3.53Å; G567-L571 WeakPolarHBondContact O-CB 3.27Å; G567-L571 PolarHBondContact O-N 2.95Å; L568-L571 PolarHBondContact O-N 3.42Å; L568-L571 VanDerWaalsContact O-N 3.1Å; L571-A573 PolarHBondContact O-N 3.46Å; L571-Q574 PolarHBondContact O-N 3.09Å; L571-F575 HydrophobicContact CD1-CD2 3.54Å; L571-F575 HydrophobicContact CD1-CE2 3.43Å; L571-F575 VanDerWaalsContact CD1-CE2 3.43Å; L571-F575 HydrophobicContact CG-CD2 4.02Å; L571-F575 HydrophobicContact CG-CE2 4.4Å; L571-F575 PolarHBondContact O-N 3.21Å; L571-F575 VanDerWaalsContact O-N 3.1Å; L571-V579 HydrophobicContact CD2-CG1 4.32Å; L571-V579 HydrophobicContact CG-CG1 4.32Å; L571-V583 HydrophobicContact CB-CG2 4.21Å; L571-V583 HydrophobicContact CD2-CG2 3.62Å; L571-V583 HydrophobicContact CG-CG2 4.07Å
572A95Very high95.4Very high1 Ų134.4 Ų34.41%0.00821%0.205CC..Hα-helixtrans-60.1-29.4174.700000113.5L568 Q574 L580 V583 F608L568-A572 PolarHBondContact O-N 3.32Å; A572-Q574 VanDerWaalsContact C-N 3.3Å; A572-L580 HydrophobicContact CB-CD1 3.61Å; A572-V583 HydrophobicContact CB-CB 4.49Å; A572-V583 HydrophobicContact CB-CG1 3.76Å; A572-F608 HydrophobicContact CB-CE2 3.71Å; A572-F608 HydrophobicContact CB-CZ 3.44Å; A572-F608 VanDerWaalsContact CB-CZ 3.44Å
573A92.5Very high95.4Very high79 Ų7931.8 Ų31.865%0.65319%0.188SC*.Hα-helixtrans-73.7-22175.400000113.3I569 H570 L571I569-A573 PolarHBondContact O-N 3Å; I569-A573 VanDerWaalsContact O-N 3.13Å; H570-A573 PolarHBondContact O-N 3.32Å; L571-A573 PolarHBondContact O-N 3.46Å
574Q92.9Very high95.4Very high95 Ų9528.7 Ų28.744%0.44417%0.166SC..Hα-helixtrans-96.2-34.4-175.7-71.6-177.70.300113.6H570 L571 A572H570-Q574 PolarHBondContact CD2-NE2 2.72Å; H570-Q574 PolarHBondContact CE1-NE2 2.88Å; H570-Q574 PolarHBondContact NE2-NE2 3.44Å; H570-Q574 WeakPolarHBondContact O-CG 3.37Å; H570-Q574 PolarHBondContact O-N 3.02Å; L571-Q574 PolarHBondContact O-N 3.09Å; A572-Q574 VanDerWaalsContact C-N 3.3Å
575F93.6Very high95.4Very high32 Ų3232.4 Ų32.414%0.1418%0.184CC..  trans-114.1164.2-175.6-62.1-89.9000112P382 P531 L571 V579P382-F575 HydrophobicContact CB-CE1 4Å; P382-F575 HydrophobicContact CG-CE1 4.03Å; P531-F575 HydrophobicContact CB-CE1 4.27Å; P531-F575 HydrophobicContact CB-CZ 3.85Å; P531-F575 HydrophobicContact CG-CZ 3.98Å; L571-F575 HydrophobicContact CD1-CD2 3.54Å; L571-F575 HydrophobicContact CD1-CE2 3.43Å; L571-F575 VanDerWaalsContact CD1-CE2 3.43Å; L571-F575 HydrophobicContact CG-CD2 4.02Å; L571-F575 HydrophobicContact CG-CE2 4.4Å; L571-F575 PolarHBondContact O-N 3.21Å; L571-F575 VanDerWaalsContact O-N 3.1Å; F575-V579 HydrophobicContact CB-CB 3.6Å; F575-V579 HydrophobicContact CB-CG1 3.48Å; F575-V579 VanDerWaalsContact CB-CG1 3.48Å; F575-V579 HydrophobicContact CB-CG2 4.24Å; F575-V579 HydrophobicContact CD1-CG1 4.36Å; F575-V579 HydrophobicContact CD1-CG2 4.29Å; F575-V579 HydrophobicContact CD2-CG1 4.02Å; F575-V579 HydrophobicContact CG-CB 4.14Å; F575-V579 HydrophobicContact CG-CG1 3.71Å; F575-V579 HydrophobicContact CG-CG2 4.39Å
576S90.9Very high95.4Very high55 Ų5532.4 Ų32.439%0.38518%0.183SC..  trans-134.9177.117757.80000110.7Q383Q383-S576 PolarHBondContact NE2-O 2.67Å
577S91Very high95.5Very high49 Ų4928.7 Ų28.734%0.34316%0.164SC..THydrogen-bonded Turntrans57-130.9-178.4-147.10000110.7V579 L580 N581S577-V579 VanDerWaalsContact C-N 3.33Å; S577-V579 PolarHBondContact O-N 2.94Å; S577-L580 WeakPolarHBondContact O-CA 3.44Å; S577-L580 WeakPolarHBondContact O-CB 3.29Å; S577-L580 PolarHBondContact O-N 3.01Å; S577-N581 PolarHBondContact O-N 2.94Å
578E93.9Very high95.6Very high57 Ų5729 Ų2927%0.26616%0.164SC..Hα-helixtrans-57.8-37.9-171.5-56.6-25107.700115.2V386 E387 L580 N581 L582V386-E578 HydrophobicContact CB-CB 3.88Å; V386-E578 HydrophobicContact CG1-CB 3.8Å; E387-E578 HydrophobicContact CG-CB 4.32Å; E387-E578 HydrophobicContact CG-CG 3.39Å; E578-L580 VanDerWaalsContact C-N 3.27Å; E578-L580 PolarHBondContact O-N 2.99Å; E578-N581 PolarHBondContact O-N 3.19Å; E578-N581 PolarHBondContact OE2-ND2 3.32Å; E578-L582 WeakPolarHBondContact O-CB 3.42Å; E578-L582 PolarHBondContact O-N 3.21Å
579V96Very high95.6Very high0 Ų030.2 Ų30.20%017%0.17CC..Hα-helixtrans-65.8-35.1176.8-177.50000110.8Q383 V386 I535 L571 F575 S577 V583Q383-V579 HydrophobicContact CG-CG2 4.19Å; V386-V579 HydrophobicContact CG2-CG2 3.77Å; I535-V579 HydrophobicContact CD1-CG1 4.45Å; I535-V579 HydrophobicContact CD1-CG2 3.9Å; I535-V579 HydrophobicContact CG1-CG1 4.15Å; I535-V579 HydrophobicContact CG1-CG2 4.41Å; L571-V579 HydrophobicContact CD2-CG1 4.32Å; L571-V579 HydrophobicContact CG-CG1 4.32Å; F575-V579 HydrophobicContact CB-CB 3.6Å; F575-V579 HydrophobicContact CB-CG1 3.48Å; F575-V579 VanDerWaalsContact CB-CG1 3.48Å; F575-V579 HydrophobicContact CB-CG2 4.24Å; F575-V579 HydrophobicContact CD1-CG1 4.36Å; F575-V579 HydrophobicContact CD1-CG2 4.29Å; F575-V579 HydrophobicContact CD2-CG1 4.02Å; F575-V579 HydrophobicContact CG-CB 4.14Å; F575-V579 HydrophobicContact CG-CG1 3.71Å; F575-V579 HydrophobicContact CG-CG2 4.39Å; S577-V579 VanDerWaalsContact C-N 3.33Å; S577-V579 PolarHBondContact O-N 2.94Å; V579-V583 WeakPolarHBondContact O-CB 3.35Å; V579-V583 WeakPolarHBondContact O-CG2 3.37Å; V579-V583 PolarHBondContact O-N 2.87Å; V579-V583 VanDerWaalsContact O-N 3.17Å
580L97Very high95.7Very high0 Ų028.5 Ų28.50%016%0.161CC..Hα-helixtrans-70.2-41.1175.3176.763.7000110.8A572 S577 E578 V583 M584 I612 Y616 V622A572-L580 HydrophobicContact CB-CD1 3.61Å; S577-L580 WeakPolarHBondContact O-CA 3.44Å; S577-L580 WeakPolarHBondContact O-CB 3.29Å; S577-L580 PolarHBondContact O-N 3.01Å; E578-L580 VanDerWaalsContact C-N 3.27Å; E578-L580 PolarHBondContact O-N 2.99Å; L580-V583 PolarHBondContact O-N 3.35Å; L580-M584 HydrophobicContact CD1-CG 3.92Å; L580-M584 HydrophobicContact CG-CG 4.2Å; L580-M584 WeakPolarHBondContact O-CB 3.42Å; L580-M584 VanDerWaalsContact O-CG 3.24Å; L580-M584 WeakPolarHBondContact O-CG 3.48Å; L580-M584 PolarHBondContact O-N 3.34Å; L580-I612 HydrophobicContact CD1-CD1 4.05Å; L580-I612 HydrophobicContact CD2-CD1 4.42Å; L580-I612 HydrophobicContact CD2-CG2 4.32Å; L580-Y616 HydrophobicContact CD2-CD1 4.49Å; L580-Y616 HydrophobicContact CD2-CD2 3.73Å; L580-Y616 HydrophobicContact CD2-CE1 4.3Å; L580-Y616 HydrophobicContact CD2-CE2 3.49Å; L580-Y616 VanDerWaalsContact CD2-CE2 3.49Å; L580-Y616 HydrophobicContact CD2-CG 4.23Å; L580-V622 HydrophobicContact CD2-CG1 4.37Å; L580-V622 HydrophobicContact CD2-CG2 4.23Å
581N96.2Very high95.8Very high14 Ų1425.1 Ų25.18%0.07515%0.146CC..Hα-helixtrans-57.4-54.3177.1-64.9-19.4000110.5S577 E578 V583 M584 E585 V621 V622 L625S577-N581 PolarHBondContact O-N 2.94Å; E578-N581 PolarHBondContact O-N 3.19Å; E578-N581 PolarHBondContact OE2-ND2 3.32Å; N581-V583 VanDerWaalsContact C-N 3.27Å; N581-V583 PolarHBondContact O-N 3.45Å; N581-M584 PolarHBondContact O-N 3.17Å; N581-M584 VanDerWaalsContact O-N 3.1Å; N581-E585 WeakPolarHBondContact O-CB 3.47Å; N581-E585 PolarHBondContact O-N 2.71Å; N581-V621 HydrophobicContact CB-CG1 4.42Å; N581-V622 VanDerWaalsContact OD1-CG2 3.25Å; N581-V622 WeakPolarHBondContact OD1-CG2 3.42Å; N581-L625 HydrophobicContact CB-CD1 3.96Å
582L97.2Very high95.8Very high15 Ų1526.7 Ų26.78%0.07916%0.155CC..Hα-helixtrans-54.8-41.3176.3173.164.4000112.7V386 I535 V538 R539 E578 T586V386-L582 HydrophobicContact CG1-CB 4.39Å; V386-L582 HydrophobicContact CG1-CD2 4.35Å; V386-L582 HydrophobicContact CG2-CD2 4.27Å; I535-L582 HydrophobicContact CG2-CD2 3.84Å; V538-L582 HydrophobicContact CB-CD2 4.37Å; V538-L582 HydrophobicContact CB-CG 4.47Å; V538-L582 HydrophobicContact CG1-CD1 4.24Å; V538-L582 HydrophobicContact CG1-CD2 4.19Å; V538-L582 HydrophobicContact CG1-CG 3.76Å; R539-L582 HydrophobicContact CG-CD1 3.76Å; R539-L582 HydrophobicContact CG-CD2 3.91Å; R539-L582 HydrophobicContact CG-CG 4.46Å; E578-L582 WeakPolarHBondContact O-CB 3.42Å; E578-L582 PolarHBondContact O-N 3.21Å; L582-T586 WeakPolarHBondContact O-CB 3.33Å; L582-T586 PolarHBondContact O-N 3.12Å; L582-T586 PolarHBondContact O-OG1 3.3Å
583V97.9Very high95.8Very high0 Ų027.1 Ų27.10%016%0.158CC..Hα-helixtrans-69.6-41179.1170.80000111.9V538 L568 L571 A572 V579 L580 N581 T586 L587V538-V583 HydrophobicContact CG1-CG2 4.29Å; V538-V583 HydrophobicContact CG2-CG2 4.26Å; L568-V583 HydrophobicContact CB-CG1 4.06Å; L568-V583 HydrophobicContact CD2-CG1 4.21Å; L568-V583 WeakPolarHBondContact O-CG1 3.29Å; L571-V583 HydrophobicContact CB-CG2 4.21Å; L571-V583 HydrophobicContact CD2-CG2 3.62Å; L571-V583 HydrophobicContact CG-CG2 4.07Å; A572-V583 HydrophobicContact CB-CB 4.49Å; A572-V583 HydrophobicContact CB-CG1 3.76Å; V579-V583 WeakPolarHBondContact O-CB 3.35Å; V579-V583 WeakPolarHBondContact O-CG2 3.37Å; V579-V583 PolarHBondContact O-N 2.87Å; V579-V583 VanDerWaalsContact O-N 3.17Å; L580-V583 PolarHBondContact O-N 3.35Å; N581-V583 VanDerWaalsContact C-N 3.27Å; N581-V583 PolarHBondContact O-N 3.45Å; V583-T586 PolarHBondContact O-N 3.39Å; V583-L587 VanDerWaalsContact O-CB 3.29Å; V583-L587 WeakPolarHBondContact O-CB 3.14Å; V583-L587 PolarHBondContact O-N 2.82Å
584M97.8Very high96Very high0 Ų024.5 Ų24.50%013%0.133CC..Hα-helixtrans-67.1-42.3178.9-73.2-72.3-69.900111.1L580 N581 L587 C588 F608 T609 I612 L625 A626 I629L580-M584 HydrophobicContact CD1-CG 3.92Å; L580-M584 HydrophobicContact CG-CG 4.2Å; L580-M584 WeakPolarHBondContact O-CB 3.42Å; L580-M584 VanDerWaalsContact O-CG 3.24Å; L580-M584 WeakPolarHBondContact O-CG 3.48Å; L580-M584 PolarHBondContact O-N 3.34Å; N581-M584 PolarHBondContact O-N 3.17Å; N581-M584 VanDerWaalsContact O-N 3.1Å; M584-L587 WeakPolarHBondContact O-CB 3.31Å; M584-L587 PolarHBondContact O-N 3.07Å; M584-C588 PolarHBondContact O-N 3.4Å; M584-F608 HydrophobicContact SD-CE1 3.69Å; M584-F608 HydrophobicContact SD-CZ 4.06Å; M584-T609 HydrophobicContact CE-CG2 4.41Å; M584-I612 HydrophobicContact CE-CB 4.45Å; M584-I612 HydrophobicContact CE-CG2 3.9Å; M584-I612 HydrophobicContact SD-CB 4.48Å; M584-I612 HydrophobicContact SD-CG1 4.36Å; M584-I612 HydrophobicContact SD-CG2 4.05Å; M584-L625 HydrophobicContact CB-CB 3.94Å; M584-L625 HydrophobicContact CB-CD1 4Å; M584-A626 HydrophobicContact CE-CB 4.05Å; M584-I629 HydrophobicContact CE-CD1 3.53Å; M584-I629 HydrophobicContact SD-CD1 3.99Å
585E97.1Very high96.1Very high81 Ų8123.4 Ų23.438%0.37913%0.134SC..Hα-helixtrans-60.8-47.3173.7-166-158.2156.700111.3W542 N581 L587 C588 I589 L625W542-E585 PolarHBondContact NE1-OE1 3.28Å; N581-E585 WeakPolarHBondContact O-CB 3.47Å; N581-E585 PolarHBondContact O-N 2.71Å; E585-L587 VanDerWaalsContact C-N 3.31Å; E585-L587 PolarHBondContact O-N 3.4Å; E585-C588 VanDerWaalsContact O-CB 3.26Å; E585-C588 WeakPolarHBondContact O-CB 3.42Å; E585-C588 PolarHBondContact O-N 3.08Å; E585-C588 VanDerWaalsContact O-N 3.11Å; E585-I589 PolarHBondContact O-N 3.19Å; E585-L625 HydrophobicContact CB-CD2 3.99Å; E585-L625 HydrophobicContact CG-CD2 4.31Å
586T98.3Very high96.2Very high0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-63.3-37.6175.7-57.40000111.9V538 I541 W542 L568 L582 V583 C588 I589 V590V538-T586 HydrophobicContact CG1-CG2 3.92Å; V538-T586 WeakPolarHBondContact CG1-OG1 3.48Å; I541-T586 HydrophobicContact CB-CG2 4.1Å; I541-T586 HydrophobicContact CG2-CG2 3.74Å; W542-T586 HydrophobicContact CB-CG2 4.14Å; L568-T586 HydrophobicContact CD1-CG2 4.11Å; L568-T586 HydrophobicContact CD2-CG2 4.03Å; L582-T586 WeakPolarHBondContact O-CB 3.33Å; L582-T586 PolarHBondContact O-N 3.12Å; L582-T586 PolarHBondContact O-OG1 3.3Å; V583-T586 PolarHBondContact O-N 3.39Å; T586-C588 VanDerWaalsContact C-N 3.3Å; T586-C588 PolarHBondContact O-N 3Å; T586-I589 VanDerWaalsContact O-CG2 3.27Å; T586-I589 WeakPolarHBondContact O-CG2 3.47Å; T586-V590 HydrophobicContact CG2-CG2 4.38Å; T586-V590 WeakPolarHBondContact O-CB 3.25Å; T586-V590 WeakPolarHBondContact O-CG2 3.26Å; T586-V590 PolarHBondContact O-N 2.92Å
587L98.2Very high96.5Very high1 Ų128.1 Ų28.11%0.00515%0.15CC..Hα-helixtrans-65-37.3175.2179.760.2000111.4L565 L568 V583 M584 E585 V590 C591 F608 I629L565-L587 HydrophobicContact CD1-CD1 3.47Å; L565-L587 VanDerWaalsContact CD1-CD1 3.47Å; L568-L587 HydrophobicContact CD1-CB 4.43Å; L568-L587 HydrophobicContact CD1-CD1 4.45Å; V583-L587 VanDerWaalsContact O-CB 3.29Å; V583-L587 WeakPolarHBondContact O-CB 3.14Å; V583-L587 PolarHBondContact O-N 2.82Å; M584-L587 WeakPolarHBondContact O-CB 3.31Å; M584-L587 PolarHBondContact O-N 3.07Å; E585-L587 VanDerWaalsContact C-N 3.31Å; E585-L587 PolarHBondContact O-N 3.4Å; L587-V590 PolarHBondContact O-N 2.75Å; L587-C591 PolarHBondContact O-N 3.12Å; L587-C591 PolarHBondContact O-SG 3.34Å; L587-F608 HydrophobicContact CD2-CD1 3.79Å; L587-F608 HydrophobicContact CD2-CE1 3.52Å; L587-I629 HydrophobicContact CB-CD1 4.37Å; L587-I629 HydrophobicContact CD2-CD1 3.95Å; L587-I629 HydrophobicContact CG-CD1 4.16Å
588C98Very high96.8Very high20 Ų2025.9 Ų25.914%0.13513%0.134CC..Hα-helixtrans-58.7-55.8176.6-168.90000110.9M584 E585 T586 V590 C591 T592 I629M584-C588 PolarHBondContact O-N 3.4Å; E585-C588 VanDerWaalsContact O-CB 3.26Å; E585-C588 WeakPolarHBondContact O-CB 3.42Å; E585-C588 PolarHBondContact O-N 3.08Å; E585-C588 VanDerWaalsContact O-N 3.11Å; T586-C588 VanDerWaalsContact C-N 3.3Å; T586-C588 PolarHBondContact O-N 3Å; C588-V590 VanDerWaalsContact C-N 3.3Å; C588-V590 PolarHBondContact O-N 3.2Å; C588-C591 WeakPolarHBondContact O-CB 3.4Å; C588-C591 PolarHBondContact O-N 3.34Å; C588-T592 WeakPolarHBondContact O-CG2 3.45Å; C588-I629 HydrophobicContact CB-CG1 3.97Å
589I97.2Very high97Very high25 Ų2524.5 Ų24.513%0.12813%0.133CC..Hα-helixtrans-62.6-37.1179.4-164.4173.8000112.3W542 C545 D546 E585 T586 C591 T592W542-I589 HydrophobicContact CG-CG2 4.25Å; C545-I589 HydrophobicContact CB-CB 4.49Å; C545-I589 HydrophobicContact CB-CD1 3.84Å; C545-I589 HydrophobicContact CB-CG1 3.86Å; C545-I589 HydrophobicContact CB-CG2 3.95Å; D546-I589 HydrophobicContact CB-CD1 3.87Å; E585-I589 PolarHBondContact O-N 3.19Å; T586-I589 VanDerWaalsContact O-CG2 3.27Å; T586-I589 WeakPolarHBondContact O-CG2 3.47Å; I589-C591 VanDerWaalsContact C-N 3.28Å; I589-C591 PolarHBondContact O-N 3.31Å; I589-T592 WeakPolarHBondContact O-CB 3.26Å; I589-T592 PolarHBondContact O-N 3.26Å; I589-T592 PolarHBondContact O-OG1 3.45Å
590V97.8Very high97Very high2 Ų227.8 Ų27.81%0.01216%0.156CC..Hα-helixtrans-59.2-37.3175.4165.50000111.8I541 L561 I564 L568 T586 L587 C588 T592 V593I541-V590 HydrophobicContact CG2-CG2 3.88Å; L561-V590 HydrophobicContact CD2-CG1 4.33Å; I564-V590 HydrophobicContact CG2-CG1 4.48Å; I564-V590 HydrophobicContact CG2-CG2 4.09Å; L568-V590 HydrophobicContact CD1-CG2 4.23Å; T586-V590 HydrophobicContact CG2-CG2 4.38Å; T586-V590 WeakPolarHBondContact O-CB 3.25Å; T586-V590 WeakPolarHBondContact O-CG2 3.26Å; T586-V590 PolarHBondContact O-N 2.92Å; L587-V590 PolarHBondContact O-N 2.75Å; C588-V590 VanDerWaalsContact C-N 3.3Å; C588-V590 PolarHBondContact O-N 3.2Å; V590-T592 PolarHBondContact O-N 3.42Å; V590-V593 WeakPolarHBondContact O-CB 3.26Å; V590-V593 PolarHBondContact O-N 3.17Å
591C97.2Very high97Very high1 Ų129.9 Ų29.91%0.00717%0.166CC..Hα-helixtrans-62.5-25.2176.9-68.80000112.6L587 C588 I589 T598 E632L587-C591 PolarHBondContact O-N 3.12Å; L587-C591 PolarHBondContact O-SG 3.34Å; C588-C591 WeakPolarHBondContact O-CB 3.4Å; C588-C591 PolarHBondContact O-N 3.34Å; I589-C591 VanDerWaalsContact C-N 3.28Å; I589-C591 PolarHBondContact O-N 3.31Å; C591-T598 HydrophobicContact CB-CG2 4.07Å; C591-T598 PolarHBondContact O-OG1 2.91Å; C591-E632 HydrophobicContact CB-CB 4.41Å
592T95.6Very high97.1Very high33 Ų3329.5 Ų29.520%0.20216%0.164CC..THydrogen-bonded Turntrans-86.8-9.3-177.981.60000114.1K549 C588 I589 V590 E632K549-T592 PolarHBondContact NZ-OG1 3.4Å; C588-T592 WeakPolarHBondContact O-CG2 3.45Å; I589-T592 WeakPolarHBondContact O-CB 3.26Å; I589-T592 PolarHBondContact O-N 3.26Å; I589-T592 PolarHBondContact O-OG1 3.45Å; V590-T592 PolarHBondContact O-N 3.42Å; T592-E632 HydrophobicContact CG2-CB 4.48Å; T592-E632 HydrophobicContact CG2-CG 3.85Å; T592-E632 WeakPolarHBondContact CG2-OE2 3.24Å
593V95.6Very high97Very high11 Ų1132 Ų327%0.06718%0.183CC..THydrogen-bonded Turntrans-71.8-46.4-173.1177.10000112.4C545 T554 L557 L561 V590C545-V593 HydrophobicContact CB-CG2 4.08Å; T554-V593 HydrophobicContact CG2-CG1 4.3Å; L557-V593 HydrophobicContact CB-CG1 4.04Å; L557-V593 HydrophobicContact CD1-CG1 3.73Å; L557-V593 HydrophobicContact CD1-CG2 4.21Å; L561-V593 HydrophobicContact CD1-CG1 4.36Å; L561-V593 HydrophobicContact CD2-CB 4.47Å; L561-V593 HydrophobicContact CD2-CG1 4.24Å; V590-V593 WeakPolarHBondContact O-CB 3.26Å; V590-V593 PolarHBondContact O-N 3.17Å
594D96Very high97Very high24 Ų2436.1 Ų36.113%0.12820%0.201CC..  trans-145.2104.4-178.2179.81.3000110.9Q558 L561 E596 F597 T598Q558-D594 PolarHBondContact NE2-OD2 2.73Å; L561-D594 HydrophobicContact CD1-CB 3.98Å; D594-E596 VanDerWaalsContact C-N 3.26Å; D594-E596 PolarHBondContact O-N 3.18Å; D594-E596 PolarHBondContact OD1-N 3.16Å; D594-F597 HydrophobicContact CB-CB 3.96Å; D594-F597 PolarHBondContact O-N 3.48Å; D594-T598 PolarHBondContact O-N 3.48Å; D594-T598 PolarHBondContact O-OG1 2.91Å
595P95.4Very high97Very high72 Ų7236.2 Ų36.247%0.46820%0.201SC..Hα-helixtrans-58.1-32.4-179.6-26.835.4000114.5A599 I636P595-A599 VanDerWaalsContact O-CB 3.32Å; P595-A599 WeakPolarHBondContact O-CB 3.32Å; P595-A599 PolarHBondContact O-N 3.14Å; P595-I636 HydrophobicContact CB-CD1 4.37Å; P595-I636 HydrophobicContact CB-CG1 4.27Å; P595-I636 HydrophobicContact CB-CG2 4.14Å
596E96.2Very high97Very high164 Ų16432.4 Ų32.477%0.76618%0.183SC*.Hα-helixtrans-71.4-43180-65.8-171.4176.100111D594 A599 S600D594-E596 VanDerWaalsContact C-N 3.26Å; D594-E596 PolarHBondContact O-N 3.18Å; D594-E596 PolarHBondContact OD1-N 3.16Å; E596-A599 PolarHBondContact O-N 2.9Å; E596-S600 PolarHBondContact O-N 3.11Å
597F97.3Very high97Very high22 Ų2234.9 Ų34.910%0.09620%0.199CC..Hα-helixtrans-62.2-49.1173.8170.5-99.7000111.2L561 P562 L565 D594 A599 S600 M601L561-F597 VanDerWaalsContact C-CZ 3.49Å; L561-F597 HydrophobicContact CB-CD1 3.8Å; L561-F597 HydrophobicContact CB-CD2 4.1Å; L561-F597 HydrophobicContact CB-CE1 3.56Å; L561-F597 HydrophobicContact CB-CE2 3.87Å; L561-F597 HydrophobicContact CB-CG 4.06Å; L561-F597 HydrophobicContact CB-CZ 3.58Å; L561-F597 HydrophobicContact CD1-CB 4.02Å; L561-F597 HydrophobicContact CD1-CD1 3.64Å; L561-F597 HydrophobicContact CD1-CD2 4.47Å; L561-F597 HydrophobicContact CD1-CE1 4.25Å; L561-F597 HydrophobicContact CD1-CG 3.76Å; L561-F597 HydrophobicContact CG-CD1 4.26Å; L561-F597 HydrophobicContact CG-CE1 4.39Å; P562-F597 HydrophobicContact CB-CE2 4.32Å; P562-F597 HydrophobicContact CG-CE2 3.83Å; L565-F597 HydrophobicContact CB-CZ 4.33Å; L565-F597 HydrophobicContact CD2-CE1 4.46Å; L565-F597 HydrophobicContact CD2-CZ 4.13Å; D594-F597 HydrophobicContact CB-CB 3.96Å; D594-F597 PolarHBondContact O-N 3.48Å; F597-A599 VanDerWaalsContact C-N 3.28Å; F597-A599 PolarHBondContact O-N 3.41Å; F597-S600 WeakPolarHBondContact O-CA 3.45Å; F597-S600 WeakPolarHBondContact O-CB 3.3Å; F597-S600 PolarHBondContact O-N 2.85Å; F597-S600 PolarHBondContact O-OG 3.35Å; F597-M601 HydrophobicContact CD2-CG 4.23Å; F597-M601 HydrophobicContact CE1-CG 4.21Å; F597-M601 HydrophobicContact CE2-CE 4.46Å; F597-M601 HydrophobicContact CE2-CG 3.59Å; F597-M601 HydrophobicContact CZ-CB 4.41Å; F597-M601 HydrophobicContact CZ-CG 3.6Å; F597-M601 PolarHBondContact O-N 2.99Å
598T97.5Very high96.9Very high1 Ų136 Ų361%0.00620%0.204CC..Hα-helixtrans-58.2-42.5179.5-59.90000111C591 D594 S600 M601 E602 I605 L633 I636C591-T598 HydrophobicContact CB-CG2 4.07Å; C591-T598 PolarHBondContact O-OG1 2.91Å; D594-T598 PolarHBondContact O-N 3.48Å; D594-T598 PolarHBondContact O-OG1 2.91Å; T598-S600 VanDerWaalsContact C-N 3.33Å; T598-S600 PolarHBondContact O-N 3.07Å; T598-M601 CarbonylContact O-C 3.51Å; T598-M601 PolarHBondContact O-N 2.83Å; T598-M601 VanDerWaalsContact O-N 3.14Å; T598-E602 PolarHBondContact O-N 3.42Å; T598-I605 HydrophobicContact CG2-CD1 4.21Å; T598-L633 HydrophobicContact CG2-CD2 3.66Å; T598-I636 HydrophobicContact CG2-CD1 3.59Å
599A97.3Very high96.9Very high29 Ų2935.1 Ų35.124%0.2420%0.198CC..Hα-helixtrans-61.8-38.2174.100000113.2P595 E596 F597 M601 A638 C639P595-A599 VanDerWaalsContact O-CB 3.32Å; P595-A599 WeakPolarHBondContact O-CB 3.32Å; P595-A599 PolarHBondContact O-N 3.14Å; E596-A599 PolarHBondContact O-N 2.9Å; F597-A599 VanDerWaalsContact C-N 3.28Å; F597-A599 PolarHBondContact O-N 3.41Å; A599-M601 VanDerWaalsContact C-N 3.27Å; A599-M601 PolarHBondContact O-N 2.8Å; A599-A638 HydrophobicContact CB-CB 3.67Å; A599-C639 WeakPolarHBondContact CA-SG 3.06Å
600S97.3Very high96.9Very high68 Ų6834.6 Ų34.648%0.47620%0.196SC..Hα-helixtrans-66.8-28.3175.982.20000113.3E596 F597 T598E596-S600 PolarHBondContact O-N 3.11Å; F597-S600 WeakPolarHBondContact O-CA 3.45Å; F597-S600 WeakPolarHBondContact O-CB 3.3Å; F597-S600 PolarHBondContact O-N 2.85Å; F597-S600 PolarHBondContact O-OG 3.35Å; T598-S600 VanDerWaalsContact C-N 3.33Å; T598-S600 PolarHBondContact O-N 3.07Å
601M97.1Very high96.9Very high45 Ų4537.2 Ų37.222%0.22222%0.217CC..Hα-helixtrans-104.41.8-177.2-66.9-60.9137.100114.1L565 F597 T598 A599 S603 K604 I605L565-M601 HydrophobicContact CD2-CB 3.53Å; L565-M601 HydrophobicContact CD2-CG 3.68Å; L565-M601 HydrophobicContact CD2-SD 4.25Å; F597-M601 HydrophobicContact CD2-CG 4.23Å; F597-M601 HydrophobicContact CE1-CG 4.21Å; F597-M601 HydrophobicContact CE2-CE 4.46Å; F597-M601 HydrophobicContact CE2-CG 3.59Å; F597-M601 HydrophobicContact CZ-CB 4.41Å; F597-M601 HydrophobicContact CZ-CG 3.6Å; F597-M601 PolarHBondContact O-N 2.99Å; T598-M601 CarbonylContact O-C 3.51Å; T598-M601 PolarHBondContact O-N 2.83Å; T598-M601 VanDerWaalsContact O-N 3.14Å; A599-M601 VanDerWaalsContact C-N 3.27Å; A599-M601 PolarHBondContact O-N 2.8Å; M601-S603 PolarHBondContact O-N 3Å; M601-K604 WeakPolarHBondContact O-CB 3.33Å; M601-K604 PolarHBondContact O-N 3.45Å; M601-K604 HydrophobicContact SD-CD 4.18Å; M601-I605 HydrophobicContact CB-CD1 3.97Å; M601-I605 HydrophobicContact CB-CG1 4.41Å; M601-I605 PolarHBondContact O-N 2.7Å
602E96.8Very high96.8Very high5 Ų537.7 Ų37.72%0.02322%0.219CC..Hα-helixtrans-47.4-41.5177-179-76.715500111.7T598 K604 I605 C606 C639 P642 M643 R646T598-E602 PolarHBondContact O-N 3.42Å; E602-K604 PolarHBondContact O-N 3.4Å; E602-K604 VanDerWaalsContact O-N 3.08Å; E602-I605 PolarHBondContact O-N 3.35Å; E602-C606 HydrophobicContact CG-CB 4.32Å; E602-C606 WeakPolarHBondContact O-CB 3.32Å; E602-C606 PolarHBondContact O-N 2.84Å; E602-C606 WeakPolarHBondContact OE1-CB 3.45Å; E602-C639 HydrophobicContact CG-CB 4.45Å; E602-P642 HydrophobicContact CG-CB 4.13Å; E602-P642 WeakPolarHBondContact OE2-CB 3.22Å; E602-M643 VanDerWaalsContact OE1-CA 3.26Å; E602-M643 WeakPolarHBondContact OE1-CA 3.26Å; E602-M643 PolarHBondContact OE1-N 3.04Å; E602-R646 IonicContact OE1-NE 3.67Å; E602-R646 IonicContact OE2-NE 3.85Å; E602-R646 PolarHBondContact OE2-NE 3.06Å
603S96.4Very high96.8Very high68 Ų6836.1 Ų36.148%0.47621%0.21SC..Hα-helixtrans-63.3-15.4-178.766.40000114.8M601 P607M601-S603 PolarHBondContact O-N 3Å; S603-P607 WeakPolarHBondContact O-CG 3.33Å
604K96.6Very high96.8Very high87 Ų8739.1 Ų39.138%0.37823%0.225SC..Hα-helixtrans-99.2-47.9169.5-69.1-177.6173.8-177.20111.2D566 I569 M601 E602 F608D566-K604 IonicContact OD1-NZ 3.72Å; D566-K604 PolarHBondContact OD1-NZ 3.24Å; D566-K604 IonicContact OD2-NZ 2.81Å; I569-K604 HydrophobicContact CD1-CB 4.38Å; M601-K604 WeakPolarHBondContact O-CB 3.33Å; M601-K604 PolarHBondContact O-N 3.45Å; M601-K604 HydrophobicContact SD-CD 4.18Å; E602-K604 PolarHBondContact O-N 3.4Å; E602-K604 VanDerWaalsContact O-N 3.08Å; K604-F608 VanDerWaalsContact O-CB 3.26Å; K604-F608 WeakPolarHBondContact O-CB 3.36Å; K604-F608 PolarHBondContact O-N 2.97Å
605I97.6Very high96.6Very high2 Ų244.8 Ų44.81%0.0125%0.248CC..Hα-helixtrans-63.7-54.6-172.8-61.9166.4000110.8L565 T598 M601 E602 F608 T609 I629 L633L565-I605 HydrophobicContact CD1-CD1 4.31Å; L565-I605 HydrophobicContact CD1-CG1 3.86Å; L565-I605 HydrophobicContact CD2-CD1 4.24Å; L565-I605 HydrophobicContact CD2-CG1 4.07Å; T598-I605 HydrophobicContact CG2-CD1 4.21Å; M601-I605 HydrophobicContact CB-CD1 3.97Å; M601-I605 HydrophobicContact CB-CG1 4.41Å; M601-I605 PolarHBondContact O-N 2.7Å; E602-I605 PolarHBondContact O-N 3.35Å; I605-F608 WeakPolarHBondContact O-CB 3.35Å; I605-F608 PolarHBondContact O-N 3.45Å; I605-F608 VanDerWaalsContact O-N 3.17Å; I605-T609 PolarHBondContact O-N 3.21Å; I605-T609 PolarHBondContact O-OG1 3.43Å; I605-I629 HydrophobicContact CG2-CG2 4.03Å; I605-L633 HydrophobicContact CG2-CD1 4.18Å; I605-L633 HydrophobicContact CG2-CD2 4.47Å
606C97.9Very high96.5Very high0 Ų043.4 Ų43.40%023%0.234CC..Hα-helixtrans-62.8-48.3-173.9172.70000112.8E602 F608 T609 I610 L633E602-C606 HydrophobicContact CG-CB 4.32Å; E602-C606 WeakPolarHBondContact O-CB 3.32Å; E602-C606 PolarHBondContact O-N 2.84Å; E602-C606 WeakPolarHBondContact OE1-CB 3.45Å; C606-F608 VanDerWaalsContact C-N 3.28Å; C606-F608 PolarHBondContact O-N 2.77Å; C606-T609 PolarHBondContact O-N 3.2Å; C606-I610 VanDerWaalsContact O-CG1 3.27Å; C606-I610 WeakPolarHBondContact O-CG1 3.33Å; C606-I610 PolarHBondContact O-N 3.16Å; C606-L633 HydrophobicContact CB-CD1 4.15Å
607P97.7Very high96Very high52 Ų5236.3 Ų36.334%0.33820%0.203SC..Hα-helixtrans-60.1-36.2173.8-27.237000114.1S603 A611S603-P607 WeakPolarHBondContact O-CG 3.33Å; P607-A611 WeakPolarHBondContact O-CB 3.42Å; P607-A611 PolarHBondContact O-N 3.33Å
608F97.4Very high95.6Very high26 Ų2641.5 Ų41.511%0.11423%0.231CC..Hα-helixtrans-63.6-50.6175.6164.7-97000110.9I569 A572 M584 L587 K604 I605 C606 I610 A611 I612I569-F608 HydrophobicContact CG1-CD1 4.48Å; I569-F608 HydrophobicContact CG1-CD2 4.4Å; I569-F608 HydrophobicContact CG1-CG 4.31Å; I569-F608 HydrophobicContact CG2-CD2 4.01Å; I569-F608 HydrophobicContact CG2-CE2 4.33Å; A572-F608 HydrophobicContact CB-CE2 3.71Å; A572-F608 HydrophobicContact CB-CZ 3.44Å; A572-F608 VanDerWaalsContact CB-CZ 3.44Å; M584-F608 HydrophobicContact SD-CE1 3.69Å; M584-F608 HydrophobicContact SD-CZ 4.06Å; L587-F608 HydrophobicContact CD2-CD1 3.79Å; L587-F608 HydrophobicContact CD2-CE1 3.52Å; K604-F608 VanDerWaalsContact O-CB 3.26Å; K604-F608 WeakPolarHBondContact O-CB 3.36Å; K604-F608 PolarHBondContact O-N 2.97Å; I605-F608 WeakPolarHBondContact O-CB 3.35Å; I605-F608 PolarHBondContact O-N 3.45Å; I605-F608 VanDerWaalsContact O-N 3.17Å; C606-F608 VanDerWaalsContact C-N 3.28Å; C606-F608 PolarHBondContact O-N 2.77Å; F608-I610 VanDerWaalsContact C-N 3.33Å; F608-I610 PolarHBondContact O-N 2.89Å; F608-A611 WeakPolarHBondContact O-CB 3.39Å; F608-A611 PolarHBondContact O-N 2.79Å; F608-A611 VanDerWaalsContact O-N 3.07Å; F608-I612 HydrophobicContact CD2-CG1 4.26Å; F608-I612 HydrophobicContact CE1-CG1 4.17Å; F608-I612 HydrophobicContact CE2-CD1 4.05Å; F608-I612 HydrophobicContact CE2-CG1 3.76Å; F608-I612 HydrophobicContact CZ-CD1 4.24Å; F608-I612 HydrophobicContact CZ-CG1 3.71Å; F608-I612 WeakPolarHBondContact O-CG1 3.38Å; F608-I612 PolarHBondContact O-N 3.48Å
609T97.7Very high95.3Very high0 Ų043.5 Ų43.50%024%0.242CC..Hα-helixtrans-60-42.1177.7-51.50000111.7M584 I605 C606 A611 I612 F613 A626 I629 F630M584-T609 HydrophobicContact CE-CG2 4.41Å; I605-T609 PolarHBondContact O-N 3.21Å; I605-T609 PolarHBondContact O-OG1 3.43Å; C606-T609 PolarHBondContact O-N 3.2Å; T609-A611 VanDerWaalsContact C-N 3.34Å; T609-A611 PolarHBondContact O-N 3.05Å; T609-I612 PolarHBondContact O-N 3.47Å; T609-F613 WeakPolarHBondContact O-CB 3.29Å; T609-F613 PolarHBondContact O-N 2.96Å; T609-A626 HydrophobicContact CG2-CB 3.89Å; T609-I629 HydrophobicContact CG2-CB 4.02Å; T609-I629 HydrophobicContact CG2-CD1 4.29Å; T609-I629 HydrophobicContact CG2-CG2 4.08Å; T609-I629 WeakPolarHBondContact OG1-CG2 3.43Å; T609-F630 HydrophobicContact CG2-CD1 4.34Å; T609-F630 HydrophobicContact CG2-CD2 4.28Å; T609-F630 HydrophobicContact CG2-CE1 3.82Å; T609-F630 HydrophobicContact CG2-CE2 3.75Å; T609-F630 HydrophobicContact CG2-CZ 3.49Å; T609-F630 VanDerWaalsContact CG2-CZ 3.49Å
610I97.6Very high95Very high15 Ų1547 Ų478%0.07726%0.262CS..Hα-helixtrans-59.7-44.3174-68.2167.2000110.9C606 F608 F613 L614 F630 R646 L647 T650C606-I610 VanDerWaalsContact O-CG1 3.27Å; C606-I610 WeakPolarHBondContact O-CG1 3.33Å; C606-I610 PolarHBondContact O-N 3.16Å; F608-I610 VanDerWaalsContact C-N 3.33Å; F608-I610 PolarHBondContact O-N 2.89Å; I610-F613 PolarHBondContact O-N 2.62Å; I610-L614 HydrophobicContact CG2-CD1 3.93Å; I610-L614 HydrophobicContact CG2-CG 4.38Å; I610-L614 WeakPolarHBondContact O-CB 3.48Å; I610-L614 VanDerWaalsContact O-CG 3.29Å; I610-L614 WeakPolarHBondContact O-CG 3.39Å; I610-L614 PolarHBondContact O-N 3.41Å; I610-F630 HydrophobicContact CG1-CE1 4.04Å; I610-F630 HydrophobicContact CG1-CZ 3.76Å; I610-R646 HydrophobicContact CD1-CB 4.07Å; I610-L647 HydrophobicContact CD1-CB 4.16Å; I610-L647 HydrophobicContact CD1-CD1 4.26Å; I610-L647 HydrophobicContact CG1-CD1 3.91Å; I610-T650 HydrophobicContact CG2-CG2 4.29Å
611A96.4Very high94.8Very high56 Ų5647.1 Ų47.146%0.46326%0.26SS..Hα-helixtrans-65-40.4-179.700000112.2P607 F608 T609 K615P607-A611 WeakPolarHBondContact O-CB 3.42Å; P607-A611 PolarHBondContact O-N 3.33Å; F608-A611 WeakPolarHBondContact O-CB 3.39Å; F608-A611 PolarHBondContact O-N 2.79Å; F608-A611 VanDerWaalsContact O-N 3.07Å; T609-A611 VanDerWaalsContact C-N 3.34Å; T609-A611 PolarHBondContact O-N 3.05Å; A611-K615 WeakPolarHBondContact O-CB 3.44Å; A611-K615 PolarHBondContact O-N 3.45Å
612I96.1Very high94.7Very high11 Ų1145 Ų456%0.05625%0.25CC..Hα-helixtrans-65.4-50175.6-67.2-60.8000110.7L580 M584 F608 T609 L614 K615 Y616 V622L580-I612 HydrophobicContact CD1-CD1 4.05Å; L580-I612 HydrophobicContact CD2-CD1 4.42Å; L580-I612 HydrophobicContact CD2-CG2 4.32Å; M584-I612 HydrophobicContact CE-CB 4.45Å; M584-I612 HydrophobicContact CE-CG2 3.9Å; M584-I612 HydrophobicContact SD-CB 4.48Å; M584-I612 HydrophobicContact SD-CG1 4.36Å; M584-I612 HydrophobicContact SD-CG2 4.05Å; F608-I612 HydrophobicContact CD2-CG1 4.26Å; F608-I612 HydrophobicContact CE1-CG1 4.17Å; F608-I612 HydrophobicContact CE2-CD1 4.05Å; F608-I612 HydrophobicContact CE2-CG1 3.76Å; F608-I612 HydrophobicContact CZ-CD1 4.24Å; F608-I612 HydrophobicContact CZ-CG1 3.71Å; F608-I612 WeakPolarHBondContact O-CG1 3.38Å; F608-I612 PolarHBondContact O-N 3.48Å; T609-I612 PolarHBondContact O-N 3.47Å; I612-L614 VanDerWaalsContact C-N 3.33Å; I612-L614 PolarHBondContact O-N 3.12Å; I612-K615 PolarHBondContact O-N 3.04Å; I612-K615 VanDerWaalsContact O-N 3.14Å; I612-Y616 HydrophobicContact CD1-CD2 4.37Å; I612-Y616 HydrophobicContact CD1-CE2 4.09Å; I612-Y616 HydrophobicContact CG2-CD2 4.11Å; I612-Y616 PolarHBondContact O-N 2.82Å; I612-V622 HydrophobicContact CG2-CG1 3.39Å
613F95.4Very high94.6Very high1 Ų145.1 Ų45.10%0.00425%0.252CS..Hα-helixtrans-52.4-48.8176163.9-117.1000112.1T609 I610 K615 S617 A626 L651 I654 L666 T669 A670 I673T609-F613 WeakPolarHBondContact O-CB 3.29Å; T609-F613 PolarHBondContact O-N 2.96Å; I610-F613 PolarHBondContact O-N 2.62Å; F613-K615 PolarHBondContact O-N 3.49Å; F613-S617 WeakPolarHBondContact O-CA 3.27Å; F613-S617 WeakPolarHBondContact O-CB 3.44Å; F613-S617 PolarHBondContact O-N 3.04Å; F613-S617 VanDerWaalsContact O-N 3.09Å; F613-A626 HydrophobicContact CB-CB 4.11Å; F613-L651 HydrophobicContact CE1-CD2 4.29Å; F613-I654 HydrophobicContact CE1-CD1 4.02Å; F613-I654 HydrophobicContact CZ-CD1 4.45Å; F613-L666 HydrophobicContact CE1-CD1 4.15Å; F613-L666 HydrophobicContact CE2-CD1 3.96Å; F613-L666 HydrophobicContact CZ-CD1 3.5Å; F613-T669 HydrophobicContact CE2-CG2 3.72Å; F613-A670 HydrophobicContact CZ-CB 4.32Å; F613-I673 HydrophobicContact CD1-CD1 4.15Å; F613-I673 HydrophobicContact CD2-CD1 3.64Å; F613-I673 HydrophobicContact CE1-CD1 3.97Å; F613-I673 HydrophobicContact CE2-CD1 3.45Å; F613-I673 VanDerWaalsContact CE2-CD1 3.45Å; F613-I673 HydrophobicContact CG-CD1 3.99Å; F613-I673 HydrophobicContact CZ-CD1 3.61Å
614L94.5Very high94.5Very high74 Ų7444.4 Ų44.439%0.38725%0.247SC..Hα-helixtrans-67.1-39180-68.8175.4000112.4I610 I612 S617 T650 I654I610-L614 HydrophobicContact CG2-CD1 3.93Å; I610-L614 HydrophobicContact CG2-CG 4.38Å; I610-L614 WeakPolarHBondContact O-CB 3.48Å; I610-L614 VanDerWaalsContact O-CG 3.29Å; I610-L614 WeakPolarHBondContact O-CG 3.39Å; I610-L614 PolarHBondContact O-N 3.41Å; I612-L614 VanDerWaalsContact C-N 3.33Å; I612-L614 PolarHBondContact O-N 3.12Å; L614-S617 PolarHBondContact O-OG 3.48Å; L614-T650 HydrophobicContact CD1-CG2 4.06Å; L614-T650 HydrophobicContact CD2-CG2 4.06Å; L614-T650 HydrophobicContact CG-CG2 4.45Å; L614-I654 HydrophobicContact CD2-CD1 3.97Å
615K93.2Very high94.5Very high142 Ų14241.3 Ų41.362%0.61723%0.234SC*.Hα-helixtrans-72.3-37.5-176.9-176.7179.4173.9-155.90112.7A611 I612 F613A611-K615 WeakPolarHBondContact O-CB 3.44Å; A611-K615 PolarHBondContact O-N 3.45Å; I612-K615 PolarHBondContact O-N 3.04Å; I612-K615 VanDerWaalsContact O-N 3.14Å; F613-K615 PolarHBondContact O-N 3.49Å
616Y92.6Very high94.5Very high44 Ų4441.2 Ų41.217%0.17323%0.234CC..THydrogen-bonded Turntrans-113.630.3-175.1-62.3-83.1000112.1L580 I612 N618 D619 V622L580-Y616 HydrophobicContact CD2-CD1 4.49Å; L580-Y616 HydrophobicContact CD2-CD2 3.73Å; L580-Y616 HydrophobicContact CD2-CE1 4.3Å; L580-Y616 HydrophobicContact CD2-CE2 3.49Å; L580-Y616 VanDerWaalsContact CD2-CE2 3.49Å; L580-Y616 HydrophobicContact CD2-CG 4.23Å; I612-Y616 HydrophobicContact CD1-CD2 4.37Å; I612-Y616 HydrophobicContact CD1-CE2 4.09Å; I612-Y616 HydrophobicContact CG2-CD2 4.11Å; I612-Y616 PolarHBondContact O-N 2.82Å; Y616-N618 PolarHBondContact O-N 3.39Å; Y616-N618 VanDerWaalsContact O-N 3.07Å; Y616-D619 WeakPolarHBondContact O-CB 3.45Å; Y616-D619 PolarHBondContact O-N 2.84Å; Y616-V622 HydrophobicContact CD2-CG1 4.44Å; Y616-V622 HydrophobicContact CG-CG1 4.29Å
617S86.5Confident94.5Very high15 Ų1543.5 Ų43.511%0.10524%0.244CC..THydrogen-bonded Turntrans-61.6-17.6-17744.40000115.6F613 L614 D619F613-S617 WeakPolarHBondContact O-CA 3.27Å; F613-S617 WeakPolarHBondContact O-CB 3.44Å; F613-S617 PolarHBondContact O-N 3.04Å; F613-S617 VanDerWaalsContact O-N 3.09Å; L614-S617 PolarHBondContact O-OG 3.48Å; S617-D619 VanDerWaalsContact C-N 3.34Å
618N87.3Confident94.5Very high130 Ų13043.8 Ų43.870%0.69524%0.243SC*.THydrogen-bonded Turntrans-85.5-8.4174.1-63.4-23.6000113Y616Y616-N618 PolarHBondContact O-N 3.39Å; Y616-N618 VanDerWaalsContact O-N 3.07Å
619D92.2Very high94.5Very high44 Ų4442.6 Ų42.624%0.23524%0.238CC..  trans-97.9110.3-179-173.3-31.4000109.2Y616 S617 V621 V622 A623Y616-D619 WeakPolarHBondContact O-CB 3.45Å; Y616-D619 PolarHBondContact O-N 2.84Å; S617-D619 VanDerWaalsContact C-N 3.34Å; D619-V621 VanDerWaalsContact C-N 3.29Å; D619-V621 PolarHBondContact O-N 3.21Å; D619-V621 PolarHBondContact OD1-N 3.27Å; D619-V622 HydrophobicContact CB-CB 4.1Å; D619-V622 HydrophobicContact CB-CG2 4.1Å; D619-V622 PolarHBondContact O-N 3.01Å; D619-V622 PolarHBondContact OD1-N 2.99Å; D619-V622 WeakPolarHBondContact OD2-CG2 3.37Å; D619-A623 WeakPolarHBondContact O-CB 3.38Å; D619-A623 PolarHBondContact O-N 3.41Å
620P91.7Very high94.5Very high102 Ų10242.6 Ų42.666%0.66224%0.238SC*.Hα-helixtrans-65.3-30.3-176.526.2-33.5000113.1S624P620-S624 PolarHBondContact O-N 3.39Å; P620-S624 PolarHBondContact O-OG 3.46Å
621V93.3Very high94.5Very high70 Ų7045.7 Ų45.742%0.42425%0.251SS..Hα-helixtrans-73.3-44.1-179.8-179.70000110.2N581 D619 A623 S624 L625N581-V621 HydrophobicContact CB-CG1 4.42Å; D619-V621 VanDerWaalsContact C-N 3.29Å; D619-V621 PolarHBondContact O-N 3.21Å; D619-V621 PolarHBondContact OD1-N 3.27Å; V621-A623 VanDerWaalsContact C-N 3.29Å; V621-A623 PolarHBondContact O-N 2.87Å; V621-S624 PolarHBondContact O-N 3.19Å; V621-S624 PolarHBondContact O-OG 3.08Å; V621-L625 HydrophobicContact CG1-CD1 4.1Å; V621-L625 VanDerWaalsContact O-CG 3.3Å; V621-L625 WeakPolarHBondContact O-CG 3.37Å; V621-L625 PolarHBondContact O-N 3.09Å; V621-L625 VanDerWaalsContact O-N 3.07Å
622V94.2Very high94.6Very high1 Ų144.8 Ų44.81%0.00624%0.237CC..Hα-helixtrans-67.1-35.6176.3179.60000111L580 N581 I612 Y616 D619 A626L580-V622 HydrophobicContact CD2-CG1 4.37Å; L580-V622 HydrophobicContact CD2-CG2 4.23Å; N581-V622 VanDerWaalsContact OD1-CG2 3.25Å; N581-V622 WeakPolarHBondContact OD1-CG2 3.42Å; I612-V622 HydrophobicContact CG2-CG1 3.39Å; Y616-V622 HydrophobicContact CD2-CG1 4.44Å; Y616-V622 HydrophobicContact CG-CG1 4.29Å; D619-V622 HydrophobicContact CB-CB 4.1Å; D619-V622 HydrophobicContact CB-CG2 4.1Å; D619-V622 PolarHBondContact O-N 3.01Å; D619-V622 PolarHBondContact OD1-N 2.99Å; D619-V622 WeakPolarHBondContact OD2-CG2 3.37Å; V622-A626 WeakPolarHBondContact O-CB 3.4Å; V622-A626 PolarHBondContact O-N 3.33Å
623A93.5Very high94.7Very high8 Ų844.3 Ų44.37%0.06623%0.234CC..Hα-helixtrans-64.3-44.4176.400000112.5D619 V621 A626 Q627 T669D619-A623 WeakPolarHBondContact O-CB 3.38Å; D619-A623 PolarHBondContact O-N 3.41Å; V621-A623 VanDerWaalsContact C-N 3.29Å; V621-A623 PolarHBondContact O-N 2.87Å; A623-A626 PolarHBondContact O-N 3.08Å; A623-Q627 WeakPolarHBondContact O-CB 3.42Å; A623-Q627 PolarHBondContact O-N 3.04Å; A623-T669 HydrophobicContact CB-CG2 3.87Å
624S95.4Very high94.8Very high53 Ų5344.2 Ų44.237%0.37123%0.234SC..Hα-helixtrans-63.2-47.3176.262.10000111.3P620 V621 A626 Q627 D628P620-S624 PolarHBondContact O-N 3.39Å; P620-S624 PolarHBondContact O-OG 3.46Å; V621-S624 PolarHBondContact O-N 3.19Å; V621-S624 PolarHBondContact O-OG 3.08Å; S624-A626 VanDerWaalsContact C-N 3.29Å; S624-A626 PolarHBondContact O-N 3.28Å; S624-Q627 CarbonylContact O-C 3.55Å; S624-Q627 WeakPolarHBondContact O-CA 3.49Å; S624-Q627 VanDerWaalsContact O-CB 3.31Å; S624-Q627 WeakPolarHBondContact O-CB 3.26Å; S624-Q627 PolarHBondContact O-N 2.84Å; S624-D628 PolarHBondContact O-N 3.21Å
625L97.2Very high94.8Very high21 Ų2145.5 Ų45.511%0.1124%0.238CC..Hα-helixtrans-61.6-36.4177.7-68.7169.9000112.7N581 M584 E585 V621 D628 I629N581-L625 HydrophobicContact CB-CD1 3.96Å; M584-L625 HydrophobicContact CB-CB 3.94Å; M584-L625 HydrophobicContact CB-CD1 4Å; E585-L625 HydrophobicContact CB-CD2 3.99Å; E585-L625 HydrophobicContact CG-CD2 4.31Å; V621-L625 HydrophobicContact CG1-CD1 4.1Å; V621-L625 VanDerWaalsContact O-CG 3.3Å; V621-L625 WeakPolarHBondContact O-CG 3.37Å; V621-L625 PolarHBondContact O-N 3.09Å; V621-L625 VanDerWaalsContact O-N 3.07Å; L625-D628 PolarHBondContact O-N 2.81Å; L625-I629 WeakPolarHBondContact O-CG1 3.31Å; L625-I629 PolarHBondContact O-N 2.89Å; L625-I629 VanDerWaalsContact O-N 3.14Å
626A97.2Very high95Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-66.2-41.1173.500000111.8M584 T609 F613 V622 A623 S624 D628 I629 F630M584-A626 HydrophobicContact CE-CB 4.05Å; T609-A626 HydrophobicContact CG2-CB 3.89Å; F613-A626 HydrophobicContact CB-CB 4.11Å; V622-A626 WeakPolarHBondContact O-CB 3.4Å; V622-A626 PolarHBondContact O-N 3.33Å; A623-A626 PolarHBondContact O-N 3.08Å; S624-A626 VanDerWaalsContact C-N 3.29Å; S624-A626 PolarHBondContact O-N 3.28Å; A626-D628 VanDerWaalsContact C-N 3.34Å; A626-I629 PolarHBondContact O-N 3.04Å; A626-F630 HydrophobicContact CB-CE2 4.49Å; A626-F630 WeakPolarHBondContact O-CD2 3.37Å; A626-F630 WeakPolarHBondContact O-CG 3.35Å; A626-F630 PolarHBondContact O-N 3.18Å; A626-F630 VanDerWaalsContact O-N 3.09Å
627Q97Very high95.1Very high48 Ų4844.2 Ų44.222%0.22424%0.236CC..Hα-helixtrans-61.6-40.4174.6178177.8-25.100111.7A623 S624 F630 K631 I673 T676A623-Q627 WeakPolarHBondContact O-CB 3.42Å; A623-Q627 PolarHBondContact O-N 3.04Å; S624-Q627 CarbonylContact O-C 3.55Å; S624-Q627 WeakPolarHBondContact O-CA 3.49Å; S624-Q627 VanDerWaalsContact O-CB 3.31Å; S624-Q627 WeakPolarHBondContact O-CB 3.26Å; S624-Q627 PolarHBondContact O-N 2.84Å; Q627-F630 CarbonylContact O-C 3.56Å; Q627-F630 PolarHBondContact O-N 3.37Å; Q627-F630 VanDerWaalsContact O-N 3.16Å; Q627-K631 PolarHBondContact O-N 3Å; Q627-I673 HydrophobicContact CB-CG1 4.16Å; Q627-I673 HydrophobicContact CG-CG1 4.39Å; Q627-T676 HydrophobicContact CG-CG2 4.08Å; Q627-T676 PolarHBondContact NE2-OG1 3.42Å
628D97.9Very high95.5Very high59 Ų5946.8 Ų46.832%0.31626%0.258SS..Hα-helixtrans-63.7-42.1176.2-67.8-31.7000112S624 L625 A626 F630 K631 E632S624-D628 PolarHBondContact O-N 3.21Å; L625-D628 PolarHBondContact O-N 2.81Å; A626-D628 VanDerWaalsContact C-N 3.34Å; D628-F630 VanDerWaalsContact C-N 3.3Å; D628-F630 PolarHBondContact O-N 3.02Å; D628-K631 VanDerWaalsContact O-CB 3.26Å; D628-K631 WeakPolarHBondContact O-CB 3.5Å; D628-K631 PolarHBondContact O-N 3.38Å; D628-K631 VanDerWaalsContact O-N 3.11Å; D628-E632 WeakPolarHBondContact O-CG 3.48Å; D628-E632 PolarHBondContact O-N 3.09Å
629I98.2Very high96Very high0 Ų040.6 Ų40.60%023%0.225CC..Hα-helixtrans-61.7-40.5173.6-64.4168.2000110.8M584 L587 C588 I605 T609 L625 A626 K631 E632 L633M584-I629 HydrophobicContact CE-CD1 3.53Å; M584-I629 HydrophobicContact SD-CD1 3.99Å; L587-I629 HydrophobicContact CB-CD1 4.37Å; L587-I629 HydrophobicContact CD2-CD1 3.95Å; L587-I629 HydrophobicContact CG-CD1 4.16Å; C588-I629 HydrophobicContact CB-CG1 3.97Å; I605-I629 HydrophobicContact CG2-CG2 4.03Å; T609-I629 HydrophobicContact CG2-CB 4.02Å; T609-I629 HydrophobicContact CG2-CD1 4.29Å; T609-I629 HydrophobicContact CG2-CG2 4.08Å; T609-I629 WeakPolarHBondContact OG1-CG2 3.43Å; L625-I629 WeakPolarHBondContact O-CG1 3.31Å; L625-I629 PolarHBondContact O-N 2.89Å; L625-I629 VanDerWaalsContact O-N 3.14Å; A626-I629 PolarHBondContact O-N 3.04Å; I629-K631 VanDerWaalsContact C-N 3.33Å; I629-K631 PolarHBondContact O-N 3.25Å; I629-E632 PolarHBondContact O-N 2.97Å; I629-L633 HydrophobicContact CG2-CD1 4.15Å; I629-L633 HydrophobicContact CG2-CG 4.36Å; I629-L633 WeakPolarHBondContact O-CB 3.44Å; I629-L633 VanDerWaalsContact O-CG 3.27Å; I629-L633 WeakPolarHBondContact O-CG 3.23Å; I629-L633 PolarHBondContact O-N 3.1Å
630F98.3Very high96.1Very high0 Ų039.8 Ų39.80%022%0.22CC..Hα-helixtrans-66.8-33.3175.1-65.6-51.3000112.9T609 I610 A626 Q627 D628 S634 M643 L647 I673T609-F630 HydrophobicContact CG2-CD1 4.34Å; T609-F630 HydrophobicContact CG2-CD2 4.28Å; T609-F630 HydrophobicContact CG2-CE1 3.82Å; T609-F630 HydrophobicContact CG2-CE2 3.75Å; T609-F630 HydrophobicContact CG2-CZ 3.49Å; T609-F630 VanDerWaalsContact CG2-CZ 3.49Å; I610-F630 HydrophobicContact CG1-CE1 4.04Å; I610-F630 HydrophobicContact CG1-CZ 3.76Å; A626-F630 HydrophobicContact CB-CE2 4.49Å; A626-F630 WeakPolarHBondContact O-CD2 3.37Å; A626-F630 WeakPolarHBondContact O-CG 3.35Å; A626-F630 PolarHBondContact O-N 3.18Å; A626-F630 VanDerWaalsContact O-N 3.09Å; Q627-F630 CarbonylContact O-C 3.56Å; Q627-F630 PolarHBondContact O-N 3.37Å; Q627-F630 VanDerWaalsContact O-N 3.16Å; D628-F630 VanDerWaalsContact C-N 3.3Å; D628-F630 PolarHBondContact O-N 3.02Å; F630-S634 VanDerWaalsContact O-CB 3.31Å; F630-S634 WeakPolarHBondContact O-CB 3.47Å; F630-S634 PolarHBondContact O-N 3.25Å; F630-S634 PolarHBondContact O-OG 3.22Å; F630-M643 HydrophobicContact CD1-SD 4.35Å; F630-L647 HydrophobicContact CD1-CD2 3.72Å; F630-L647 HydrophobicContact CD2-CD2 4.34Å; F630-L647 HydrophobicContact CE1-CD1 3.97Å; F630-L647 HydrophobicContact CE1-CD2 3.94Å; F630-L647 HydrophobicContact CE1-CG 4.45Å; F630-L647 HydrophobicContact CE2-CD1 4.07Å; F630-L647 HydrophobicContact CG-CD2 3.94Å; F630-L647 HydrophobicContact CZ-CD1 3.71Å; F630-L647 HydrophobicContact CZ-CD2 4.35Å; F630-I673 HydrophobicContact CB-CG2 4.48Å; F630-I673 HydrophobicContact CD2-CD1 4.33Å; F630-I673 HydrophobicContact CD2-CG1 4.42Å; F630-I673 HydrophobicContact CD2-CG2 3.64Å; F630-I673 HydrophobicContact CE2-CD1 4.22Å; F630-I673 HydrophobicContact CE2-CG2 4.17Å; F630-I673 HydrophobicContact CG-CG2 4.26Å
631K97.7Very high96.3Very high81 Ų8136.8 Ų36.835%0.35221%0.208SC..Hα-helixtrans-59.2-54171.9179.7-177.7172.3-176.40110Q627 D628 I629 L633 S634 Q635 T676Q627-K631 PolarHBondContact O-N 3Å; D628-K631 VanDerWaalsContact O-CB 3.26Å; D628-K631 WeakPolarHBondContact O-CB 3.5Å; D628-K631 PolarHBondContact O-N 3.38Å; D628-K631 VanDerWaalsContact O-N 3.11Å; I629-K631 VanDerWaalsContact C-N 3.33Å; I629-K631 PolarHBondContact O-N 3.25Å; K631-L633 PolarHBondContact O-N 3.46Å; K631-S634 WeakPolarHBondContact O-CB 3.36Å; K631-S634 PolarHBondContact O-N 3.02Å; K631-S634 VanDerWaalsContact O-N 3.08Å; K631-Q635 WeakPolarHBondContact O-CG 3.47Å; K631-Q635 PolarHBondContact O-N 3.5Å; K631-Q635 VanDerWaalsContact O-N 3.15Å; K631-T676 HydrophobicContact CB-CG2 3.61Å; K631-T676 HydrophobicContact CG-CG2 4.14Å
632E97.4Very high96.4Very high37 Ų3736.1 Ų36.117%0.17321%0.205CC..Hα-helixtrans-60.8-43.7179.6-64.4-50.3133.200112.2C591 T592 D628 I629 S634 Q635C591-E632 HydrophobicContact CB-CB 4.41Å; T592-E632 HydrophobicContact CG2-CB 4.48Å; T592-E632 HydrophobicContact CG2-CG 3.85Å; T592-E632 WeakPolarHBondContact CG2-OE2 3.24Å; D628-E632 WeakPolarHBondContact O-CG 3.48Å; D628-E632 PolarHBondContact O-N 3.09Å; I629-E632 PolarHBondContact O-N 2.97Å; E632-S634 VanDerWaalsContact C-N 3.29Å; E632-S634 PolarHBondContact O-N 3.14Å; E632-Q635 PolarHBondContact O-N 3.06Å
633L97.9Very high96.6Very high0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-63.5-34.4175.4-69.5178.4000112.7T598 I605 C606 I629 K631 Q635 I636 C639 M643T598-L633 HydrophobicContact CG2-CD2 3.66Å; I605-L633 HydrophobicContact CG2-CD1 4.18Å; I605-L633 HydrophobicContact CG2-CD2 4.47Å; C606-L633 HydrophobicContact CB-CD1 4.15Å; I629-L633 HydrophobicContact CG2-CD1 4.15Å; I629-L633 HydrophobicContact CG2-CG 4.36Å; I629-L633 WeakPolarHBondContact O-CB 3.44Å; I629-L633 VanDerWaalsContact O-CG 3.27Å; I629-L633 WeakPolarHBondContact O-CG 3.23Å; I629-L633 PolarHBondContact O-N 3.1Å; K631-L633 PolarHBondContact O-N 3.46Å; L633-Q635 VanDerWaalsContact C-N 3.33Å; L633-I636 PolarHBondContact O-N 2.82Å; L633-C639 HydrophobicContact CD2-CB 4.47Å; L633-C639 VanDerWaalsContact O-CB 3.24Å; L633-C639 WeakPolarHBondContact O-CB 3.39Å; L633-M643 HydrophobicContact CB-CG 4.42Å; L633-M643 HydrophobicContact CB-SD 3.68Å; L633-M643 HydrophobicContact CD1-CG 4.35Å; L633-M643 HydrophobicContact CD1-SD 4.44Å
634S96.8Very high96.7Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-69.8-31.4179.1-62.10000112.4F630 K631 E632 I636 Q640 M643 N680F630-S634 VanDerWaalsContact O-CB 3.31Å; F630-S634 WeakPolarHBondContact O-CB 3.47Å; F630-S634 PolarHBondContact O-N 3.25Å; F630-S634 PolarHBondContact O-OG 3.22Å; K631-S634 WeakPolarHBondContact O-CB 3.36Å; K631-S634 PolarHBondContact O-N 3.02Å; K631-S634 VanDerWaalsContact O-N 3.08Å; E632-S634 VanDerWaalsContact C-N 3.29Å; E632-S634 PolarHBondContact O-N 3.14Å; S634-I636 VanDerWaalsContact C-N 3.28Å; S634-I636 PolarHBondContact O-N 3.07Å; S634-Q640 VanDerWaalsContact O-CG 3.23Å; S634-Q640 WeakPolarHBondContact O-CG 3.26Å; S634-Q640 PolarHBondContact O-NE2 2.84Å; S634-M643 WeakPolarHBondContact OG-CE 3.4Å; S634-N680 CarbonylContact C-O 3.27Å
635Q95.9Very high96.8Very high100 Ų10039.5 Ų39.547%0.46722%0.215SC..Hα-helixtrans-71.9-21.9177.8-67.3179.7-000112.8K631 E632 L633 E637 N680K631-Q635 WeakPolarHBondContact O-CG 3.47Å; K631-Q635 PolarHBondContact O-N 3.5Å; K631-Q635 VanDerWaalsContact O-N 3.15Å; E632-Q635 PolarHBondContact O-N 3.06Å; L633-Q635 VanDerWaalsContact C-N 3.33Å; Q635-E637 PolarHBondContact O-N 3.09Å; Q635-N680 HydrophobicContact CG-CB 4.04Å; Q635-N680 PolarHBondContact NE2-OD1 3.4Å
636I96.5Very high96.8Very high23 Ų2343.7 Ų43.712%0.11823%0.229CC..SBendtrans-87.2108.9176.5-58.4168.5000110.1P595 T598 L633 S634 A638 C639 Q640P595-I636 HydrophobicContact CB-CD1 4.37Å; P595-I636 HydrophobicContact CB-CG1 4.27Å; P595-I636 HydrophobicContact CB-CG2 4.14Å; T598-I636 HydrophobicContact CG2-CD1 3.59Å; L633-I636 PolarHBondContact O-N 2.82Å; S634-I636 VanDerWaalsContact C-N 3.28Å; S634-I636 PolarHBondContact O-N 3.07Å; I636-A638 HydrophobicContact CG2-CB 4.42Å; I636-A638 PolarHBondContact O-N 3.07Å; I636-A638 VanDerWaalsContact O-N 3.12Å; I636-C639 HydrophobicContact CB-CB 4.08Å; I636-C639 HydrophobicContact CG2-CB 4.24Å; I636-C639 WeakPolarHBondContact O-CB 3.27Å; I636-C639 PolarHBondContact O-N 3.32Å; I636-Q640 PolarHBondContact O-N 2.9Å
637E94.5Very high96.9Very high137 Ų13743.7 Ų43.764%0.6423%0.229SC*.Hα-helixtrans-52.8-39-176.1-172.3172.4171.700113.4Q635 C639 Q640Q635-E637 PolarHBondContact O-N 3.09Å; E637-C639 VanDerWaalsContact C-N 3.3Å; E637-C639 PolarHBondContact O-N 3.25Å; E637-Q640 PolarHBondContact O-N 3.18Å
638A95.9Very high96.9Very high68 Ų6841.4 Ų41.456%0.56222%0.219SC*.Hα-helixtrans-68.8-24.4178.500000114A599 I636A599-A638 HydrophobicContact CB-CB 3.67Å; I636-A638 HydrophobicContact CG2-CB 4.42Å; I636-A638 PolarHBondContact O-N 3.07Å; I636-A638 VanDerWaalsContact O-N 3.12Å
639C96.8Very high96.9Very high0 Ų041.5 Ų41.50%022%0.222CC..Hα-helixtrans-86-27179.1-67.90000112.8A599 E602 L633 I636 E637 G641 P642 M643A599-C639 WeakPolarHBondContact CA-SG 3.06Å; E602-C639 HydrophobicContact CG-CB 4.45Å; L633-C639 HydrophobicContact CD2-CB 4.47Å; L633-C639 VanDerWaalsContact O-CB 3.24Å; L633-C639 WeakPolarHBondContact O-CB 3.39Å; I636-C639 HydrophobicContact CB-CB 4.08Å; I636-C639 HydrophobicContact CG2-CB 4.24Å; I636-C639 WeakPolarHBondContact O-CB 3.27Å; I636-C639 PolarHBondContact O-N 3.32Å; E637-C639 VanDerWaalsContact C-N 3.3Å; E637-C639 PolarHBondContact O-N 3.25Å; C639-G641 PolarHBondContact O-N 2.85Å; C639-P642 WeakPolarHBondContact O-CD 3.48Å; C639-M643 WeakPolarHBondContact O-CB 3.29Å; C639-M643 PolarHBondContact O-N 3.32Å
640Q95.2Very high96.9Very high27 Ų2743.2 Ų43.213%0.12623%0.233CC..Hα-helixtrans-51.4-53-172.1-73.21732.400112.9S634 I636 E637 Q644S634-Q640 VanDerWaalsContact O-CG 3.23Å; S634-Q640 WeakPolarHBondContact O-CG 3.26Å; S634-Q640 PolarHBondContact O-NE2 2.84Å; I636-Q640 PolarHBondContact O-N 2.9Å; E637-Q640 PolarHBondContact O-N 3.18Å; Q640-Q644 WeakPolarHBondContact O-CB 3.32Å; Q640-Q644 VanDerWaalsContact O-CD 3.26Å; Q640-Q644 WeakPolarHBondContact O-CG 3.39Å; Q640-Q644 PolarHBondContact O-N 2.89Å
641G95.2Very high96.8Very high39 Ų3943.2 Ų43.240%0.40223%0.233SC..Hα-helixtrans-61.4-59.4-179.700000113.2C639 M643 Q644 M645C639-G641 PolarHBondContact O-N 2.85Å; G641-M643 PolarHBondContact O-N 2.85Å; G641-Q644 PolarHBondContact O-N 3.45Å; G641-M645 VanDerWaalsContact O-CG 3.29Å; G641-M645 WeakPolarHBondContact O-CG 3.35Å; G641-M645 PolarHBondContact O-N 3.39Å
642P96.5Very high96.8Very high56 Ų5640 Ų4036%0.36422%0.22SC..Hα-helixtrans-55-45.7177.8-28.335.8000114.1E602 C639 M645 R646E602-P642 HydrophobicContact CG-CB 4.13Å; E602-P642 WeakPolarHBondContact OE2-CB 3.22Å; C639-P642 WeakPolarHBondContact O-CD 3.48Å; P642-M645 PolarHBondContact O-N 2.97Å; P642-R646 WeakPolarHBondContact O-CG 3.16Å; P642-R646 PolarHBondContact O-N 3.04Å
643M96.9Very high96.8Very high0 Ų042 Ų420%024%0.238CC..Hα-helixtrans-63.1-48.2179.8-178.3-151.66900110.7E602 F630 L633 S634 C639 G641 M645 R646 L647 V677E602-M643 VanDerWaalsContact OE1-CA 3.26Å; E602-M643 WeakPolarHBondContact OE1-CA 3.26Å; E602-M643 PolarHBondContact OE1-N 3.04Å; F630-M643 HydrophobicContact CD1-SD 4.35Å; L633-M643 HydrophobicContact CB-CG 4.42Å; L633-M643 HydrophobicContact CB-SD 3.68Å; L633-M643 HydrophobicContact CD1-CG 4.35Å; L633-M643 HydrophobicContact CD1-SD 4.44Å; S634-M643 WeakPolarHBondContact OG-CE 3.4Å; C639-M643 WeakPolarHBondContact O-CB 3.29Å; C639-M643 PolarHBondContact O-N 3.32Å; G641-M643 PolarHBondContact O-N 2.85Å; M643-M645 VanDerWaalsContact C-N 3.3Å; M643-M645 PolarHBondContact O-N 2.79Å; M643-R646 PolarHBondContact O-N 3.09Å; M643-L647 WeakPolarHBondContact O-CB 3.33Å; M643-L647 PolarHBondContact O-N 2.86Å; M643-V677 HydrophobicContact CE-CG1 3.85Å; M643-V677 HydrophobicContact CE-CG2 4.03Å
644Q97.3Very high96.7Very high6 Ų642.5 Ų42.53%0.02824%0.24CC..Hα-helixtrans-61.2-38.9179.1-72.416719.200111.9Q640 G641 R646 I648 V677 T681 S686 L688Q640-Q644 WeakPolarHBondContact O-CB 3.32Å; Q640-Q644 VanDerWaalsContact O-CD 3.26Å; Q640-Q644 WeakPolarHBondContact O-CG 3.39Å; Q640-Q644 PolarHBondContact O-N 2.89Å; G641-Q644 PolarHBondContact O-N 3.45Å; Q644-R646 PolarHBondContact O-N 3.48Å; Q644-I648 HydrophobicContact CB-CG1 4Å; Q644-I648 HydrophobicContact CG-CG1 4.31Å; Q644-I648 VanDerWaalsContact O-CB 3.24Å; Q644-I648 WeakPolarHBondContact O-CB 3.08Å; Q644-I648 VanDerWaalsContact O-CG1 3.26Å; Q644-I648 WeakPolarHBondContact O-CG1 3.33Å; Q644-I648 PolarHBondContact O-N 2.95Å; Q644-I648 VanDerWaalsContact O-N 3.09Å; Q644-V677 HydrophobicContact CG-CG1 4.44Å; Q644-T681 PolarHBondContact NE2-OG1 2.87Å; Q644-S686 PolarHBondContact OE1-OG 2.99Å; Q644-L688 HydrophobicContact CB-CD1 4.39Å
645M97Very high96.7Very high127 Ų12743 Ų4363%0.62624%0.243SC*.Hα-helixtrans-61.5-23.9176.1-72.3-69-50.800113.3G641 P642 M643 L688G641-M645 VanDerWaalsContact O-CG 3.29Å; G641-M645 WeakPolarHBondContact O-CG 3.35Å; G641-M645 PolarHBondContact O-N 3.39Å; P642-M645 PolarHBondContact O-N 2.97Å; M643-M645 VanDerWaalsContact C-N 3.3Å; M643-M645 PolarHBondContact O-N 2.79Å; M645-L688 HydrophobicContact CG-CD1 4.12Å; M645-L688 HydrophobicContact SD-CD1 3.48Å; M645-L688 WeakPolarHBondContact SD-CD1 3.47Å; M645-L688 HydrophobicContact SD-CG 4.38Å
646R97.3Very high96.7Very high110 Ų11044.8 Ų44.842%0.41525%0.251SS..Hα-helixtrans-97.9-43.9-179.4-63.9178.9-167.4-59.8-2112.9E602 I610 P642 M643 Q644E602-R646 IonicContact OE1-NE 3.67Å; E602-R646 IonicContact OE2-NE 3.85Å; E602-R646 PolarHBondContact OE2-NE 3.06Å; I610-R646 HydrophobicContact CD1-CB 4.07Å; P642-R646 WeakPolarHBondContact O-CG 3.16Å; P642-R646 PolarHBondContact O-N 3.04Å; M643-R646 PolarHBondContact O-N 3.09Å; Q644-R646 PolarHBondContact O-N 3.48Å
647L98Very high96.5Very high0 Ų045.1 Ų45.10%026%0.257CS..Hα-helixtrans-80-48.2-173.3177.861.3000112.1I610 F630 M643 T650 L651 I673 V677I610-L647 HydrophobicContact CD1-CB 4.16Å; I610-L647 HydrophobicContact CD1-CD1 4.26Å; I610-L647 HydrophobicContact CG1-CD1 3.91Å; F630-L647 HydrophobicContact CD1-CD2 3.72Å; F630-L647 HydrophobicContact CD2-CD2 4.34Å; F630-L647 HydrophobicContact CE1-CD1 3.97Å; F630-L647 HydrophobicContact CE1-CD2 3.94Å; F630-L647 HydrophobicContact CE1-CG 4.45Å; F630-L647 HydrophobicContact CE2-CD1 4.07Å; F630-L647 HydrophobicContact CG-CD2 3.94Å; F630-L647 HydrophobicContact CZ-CD1 3.71Å; F630-L647 HydrophobicContact CZ-CD2 4.35Å; M643-L647 WeakPolarHBondContact O-CB 3.33Å; M643-L647 PolarHBondContact O-N 2.86Å; L647-T650 VanDerWaalsContact O-CB 3.32Å; L647-T650 WeakPolarHBondContact O-CB 3.44Å; L647-T650 PolarHBondContact O-N 3.02Å; L647-L651 HydrophobicContact CD1-CD1 4.15Å; L647-L651 HydrophobicContact CD1-CD2 4.04Å; L647-L651 HydrophobicContact CD1-CG 3.97Å; L647-L651 HydrophobicContact CD2-CD1 4.3Å; L647-L651 HydrophobicContact CG-CD1 3.86Å; L647-L651 HydrophobicContact CG-CG 4.07Å; L647-L651 PolarHBondContact O-N 3.01Å; L647-L651 VanDerWaalsContact O-N 3.08Å; L647-I673 HydrophobicContact CD1-CG2 4.41Å; L647-I673 HydrophobicContact CD2-CG2 4Å; L647-V677 HydrophobicContact CD2-CG2 3.91Å
648I98Very high96.2Very high0 Ų041.7 Ų41.70%025%0.247CC..Hα-helixtrans-60.1-43.1-171.5-59-56.3000113Q644 T650 L651 V652 L674 L688 L689 A693Q644-I648 HydrophobicContact CB-CG1 4Å; Q644-I648 HydrophobicContact CG-CG1 4.31Å; Q644-I648 VanDerWaalsContact O-CB 3.24Å; Q644-I648 WeakPolarHBondContact O-CB 3.08Å; Q644-I648 VanDerWaalsContact O-CG1 3.26Å; Q644-I648 WeakPolarHBondContact O-CG1 3.33Å; Q644-I648 PolarHBondContact O-N 2.95Å; Q644-I648 VanDerWaalsContact O-N 3.09Å; I648-T650 PolarHBondContact O-N 3.49Å; I648-L651 HydrophobicContact CD1-CD1 4.27Å; I648-L651 PolarHBondContact O-N 2.86Å; I648-V652 HydrophobicContact CG2-CG2 3.98Å; I648-V652 WeakPolarHBondContact O-CB 3.3Å; I648-V652 VanDerWaalsContact O-CG2 3.31Å; I648-V652 WeakPolarHBondContact O-CG2 3.36Å; I648-V652 PolarHBondContact O-N 3.09Å; I648-L674 HydrophobicContact CD1-CD1 3.9Å; I648-L688 HydrophobicContact CG2-CB 4.46Å; I648-L689 HydrophobicContact CD1-CD2 3.6Å; I648-L689 HydrophobicContact CG1-CD2 4.17Å; I648-A693 HydrophobicContact CG2-CB 3.85Å
649P97.9Very high95.6Very high60 Ų6042 Ų4239%0.3925%0.25SC..Hα-helixtrans-58.2-36.3175.9-26.436.5000113.4S653P649-S653 WeakPolarHBondContact O-CB 3.03Å; P649-S653 PolarHBondContact O-N 3.06Å
650T97.1Very high95Very high36 Ų3648.5 Ų48.522%0.22128%0.284CS..Hα-helixtrans-66.4-49.1176.1-580000110.9I610 L614 L647 I648 V652 S653 I654I610-T650 HydrophobicContact CG2-CG2 4.29Å; L614-T650 HydrophobicContact CD1-CG2 4.06Å; L614-T650 HydrophobicContact CD2-CG2 4.06Å; L614-T650 HydrophobicContact CG-CG2 4.45Å; L647-T650 VanDerWaalsContact O-CB 3.32Å; L647-T650 WeakPolarHBondContact O-CB 3.44Å; L647-T650 PolarHBondContact O-N 3.02Å; I648-T650 PolarHBondContact O-N 3.49Å; T650-V652 PolarHBondContact O-N 2.97Å; T650-S653 PolarHBondContact O-N 3.08Å; T650-I654 HydrophobicContact CG2-CD1 4.19Å; T650-I654 WeakPolarHBondContact O-CG1 3.27Å; T650-I654 PolarHBondContact O-N 3.43Å
651L97.6Very high94.6Very high1 Ų154.5 Ų54.51%0.00531%0.31CS..Hα-helixtrans-61.3-43.9178.3-58.7-177.4000111.6F613 L647 I648 S653 I654 M655 A670 I673 L674F613-L651 HydrophobicContact CE1-CD2 4.29Å; L647-L651 HydrophobicContact CD1-CD1 4.15Å; L647-L651 HydrophobicContact CD1-CD2 4.04Å; L647-L651 HydrophobicContact CD1-CG 3.97Å; L647-L651 HydrophobicContact CD2-CD1 4.3Å; L647-L651 HydrophobicContact CG-CD1 3.86Å; L647-L651 HydrophobicContact CG-CG 4.07Å; L647-L651 PolarHBondContact O-N 3.01Å; L647-L651 VanDerWaalsContact O-N 3.08Å; I648-L651 HydrophobicContact CD1-CD1 4.27Å; I648-L651 PolarHBondContact O-N 2.86Å; L651-S653 VanDerWaalsContact C-N 3.33Å; L651-S653 PolarHBondContact O-N 3.24Å; L651-I654 PolarHBondContact O-N 3.26Å; L651-M655 HydrophobicContact CB-CE 4.4Å; L651-M655 WeakPolarHBondContact O-CE 3.28Å; L651-M655 WeakPolarHBondContact O-CG 3.46Å; L651-M655 PolarHBondContact O-N 3.16Å; L651-A670 HydrophobicContact CD2-CB 3.86Å; L651-I673 HydrophobicContact CD1-CG2 4.03Å; L651-I673 HydrophobicContact CD2-CG2 4.36Å; L651-L674 HydrophobicContact CD1-CB 4.09Å
652V97.7Very high94.3Very high13 Ų1354.5 Ų54.58%0.07930%0.3CS..Hα-helixtrans-61.4-42.5175.8171.40000111.1I648 T650 I654 M655 Q656 Q692 A693 A696I648-V652 HydrophobicContact CG2-CG2 3.98Å; I648-V652 WeakPolarHBondContact O-CB 3.3Å; I648-V652 VanDerWaalsContact O-CG2 3.31Å; I648-V652 WeakPolarHBondContact O-CG2 3.36Å; I648-V652 PolarHBondContact O-N 3.09Å; T650-V652 PolarHBondContact O-N 2.97Å; V652-I654 VanDerWaalsContact C-N 3.3Å; V652-I654 PolarHBondContact O-N 2.94Å; V652-M655 HydrophobicContact CG2-CE 4.2Å; V652-M655 PolarHBondContact O-N 2.87Å; V652-Q656 HydrophobicContact CG1-CG 4.32Å; V652-Q656 WeakPolarHBondContact O-CB 3.48Å; V652-Q656 WeakPolarHBondContact O-CG 3.38Å; V652-Q656 PolarHBondContact O-N 3.36Å; V652-Q692 HydrophobicContact CG2-CB 4.43Å; V652-A693 HydrophobicContact CG2-CB 4.41Å; V652-A696 HydrophobicContact CB-CB 4.42Å; V652-A696 HydrophobicContact CG1-CB 4Å; V652-A696 HydrophobicContact CG2-CB 4.06Å
653S96.8Very high93.9Very high78 Ų7854.5 Ų54.555%0.54530%0.3SS..Hα-helixtrans-64.3-34.1177-172.60000112.8P649 T650 L651 A657P649-S653 WeakPolarHBondContact O-CB 3.03Å; P649-S653 PolarHBondContact O-N 3.06Å; T650-S653 PolarHBondContact O-N 3.08Å; L651-S653 VanDerWaalsContact C-N 3.33Å; L651-S653 PolarHBondContact O-N 3.24Å; S653-A657 WeakPolarHBondContact O-CB 3.46Å; S653-A657 PolarHBondContact O-N 2.94Å; S653-A657 VanDerWaalsContact O-N 3.13Å
654I95.8Very high93.4Very high12 Ų1259.1 Ų59.16%0.06234%0.338CS..Hα-helixtrans-67-49.5174.7-68.5164.1000109.7F613 L614 T650 L651 V652 Q656 A657 I662 L666 C667 A670F613-I654 HydrophobicContact CE1-CD1 4.02Å; F613-I654 HydrophobicContact CZ-CD1 4.45Å; L614-I654 HydrophobicContact CD2-CD1 3.97Å; T650-I654 HydrophobicContact CG2-CD1 4.19Å; T650-I654 WeakPolarHBondContact O-CG1 3.27Å; T650-I654 PolarHBondContact O-N 3.43Å; L651-I654 PolarHBondContact O-N 3.26Å; V652-I654 VanDerWaalsContact C-N 3.3Å; V652-I654 PolarHBondContact O-N 2.94Å; I654-Q656 VanDerWaalsContact C-N 3.26Å; I654-Q656 PolarHBondContact O-N 3.42Å; I654-A657 WeakPolarHBondContact O-CB 3.44Å; I654-A657 PolarHBondContact O-N 3.43Å; I654-A657 VanDerWaalsContact O-N 3.16Å; I654-I662 HydrophobicContact CG2-CD1 4.48Å; I654-L666 HydrophobicContact CD1-CD1 4.22Å; I654-L666 HydrophobicContact CD1-CD2 4.29Å; I654-L666 HydrophobicContact CD1-CG 4.28Å; I654-L666 HydrophobicContact CG1-CD2 4.29Å; I654-L666 HydrophobicContact CG2-CD2 4.26Å; I654-L666 HydrophobicContact CG2-CG 3.96Å; I654-C667 HydrophobicContact CG2-CB 4.43Å; I654-A670 HydrophobicContact CB-CB 4.34Å; I654-A670 HydrophobicContact CD1-CB 4.12Å; I654-A670 HydrophobicContact CG2-CB 3.9Å
655M96.2Very high92.9Very high11 Ų1160.6 Ų60.65%0.05436%0.356CS..Hα-helixtrans-64.2-27.9-178.9-70.9-175.3-73.900113.8L651 V652 I671 L674 A696 V697 C700L651-M655 HydrophobicContact CB-CE 4.4Å; L651-M655 WeakPolarHBondContact O-CE 3.28Å; L651-M655 WeakPolarHBondContact O-CG 3.46Å; L651-M655 PolarHBondContact O-N 3.16Å; V652-M655 HydrophobicContact CG2-CE 4.2Å; V652-M655 PolarHBondContact O-N 2.87Å; M655-I671 HydrophobicContact CG-CG1 4.25Å; M655-I671 HydrophobicContact SD-CG1 3.93Å; M655-L674 HydrophobicContact CE-CD2 4.04Å; M655-L674 HydrophobicContact SD-CD2 4.47Å; M655-A696 HydrophobicContact CE-CB 3.83Å; M655-A696 HydrophobicContact SD-CB 4.49Å; M655-V697 HydrophobicContact SD-CB 3.74Å; M655-V697 HydrophobicContact SD-CG2 4.24Å; M655-C700 HydrophobicContact CB-CB 4.06Å; M655-C700 HydrophobicContact CG-CB 4.48Å; M655-C700 PolarHBondContact O-SG 3.14Å
656Q95.6Very high92.7Very high137 Ų13755.1 Ų55.164%0.6433%0.329SS*.THydrogen-bonded Turntrans-93.8-8.1178.3-67.8178.7-10.500113.5V652 I654V652-Q656 HydrophobicContact CG1-CG 4.32Å; V652-Q656 WeakPolarHBondContact O-CB 3.48Å; V652-Q656 WeakPolarHBondContact O-CG 3.38Å; V652-Q656 PolarHBondContact O-N 3.36Å; I654-Q656 VanDerWaalsContact C-N 3.26Å; I654-Q656 PolarHBondContact O-N 3.42Å
657A93.5Very high92.6Very high30 Ų3050.4 Ų50.425%0.24831%0.313CS..SBendtrans-70.1145.3179.400000110.6S653 I654 A659 I662S653-A657 WeakPolarHBondContact O-CB 3.46Å; S653-A657 PolarHBondContact O-N 2.94Å; S653-A657 VanDerWaalsContact O-N 3.13Å; I654-A657 WeakPolarHBondContact O-CB 3.44Å; I654-A657 PolarHBondContact O-N 3.43Å; I654-A657 VanDerWaalsContact O-N 3.16Å; A657-A659 PolarHBondContact O-N 3.15Å; A657-I662 HydrophobicContact CB-CG2 3.56Å
658P88.8Confident92.4Very high64 Ų6450.7 Ų50.742%0.41632%0.315SS..  trans-57136168.4-24.635.1000111.3D660 K661P658-D660 WeakPolarHBondContact CB-OD1 3.34Å; P658-D660 PolarHBondContact O-N 3.28Å; P658-D660 VanDerWaalsContact O-N 3.1Å; P658-K661 HydrophobicContact CB-CD 4.31Å; P658-K661 HydrophobicContact CB-CG 4.31Å; P658-K661 HydrophobicContact CG-CD 4.1Å; P658-K661 WeakPolarHBondContact O-CB 3.25Å; P658-K661 PolarHBondContact O-N 2.69Å
659A81.7Confident92.2Very high75 Ų7552 Ų5262%0.6232%0.323SS*.G310 helixtrans-57.1-28.3-175.800000113.5A657 K661A657-A659 PolarHBondContact O-N 3.15Å; A659-K661 PolarHBondContact O-N 3.08Å
660D85Confident92.2Very high136 Ų13649.2 Ų49.273%0.72731%0.305SS*.G310 helixtrans-72.6-12.1176.762.8-58.9000114.3P658P658-D660 WeakPolarHBondContact CB-OD1 3.34Å; P658-D660 PolarHBondContact O-N 3.28Å; P658-D660 VanDerWaalsContact O-N 3.1Å
661K87.3Confident92.2Very high154 Ų15447.5 Ų47.567%0.6729%0.294SS*.G310 helixtrans-106.7-8.2-174.6-66.3-173.4-178.6176.20114.5P658 A659P658-K661 HydrophobicContact CB-CD 4.31Å; P658-K661 HydrophobicContact CB-CG 4.31Å; P658-K661 HydrophobicContact CG-CD 4.1Å; P658-K661 WeakPolarHBondContact O-CB 3.25Å; P658-K661 PolarHBondContact O-N 2.69Å; A659-K661 PolarHBondContact O-N 3.08Å
662I88.7Confident92.1Very high38 Ų3849.7 Ų49.720%0.19531%0.306CS..SBendtrans-113.914717955.7172000110I654 A657 L666 C667I654-I662 HydrophobicContact CG2-CD1 4.48Å; A657-I662 HydrophobicContact CB-CG2 3.56Å; I662-L666 HydrophobicContact CB-CD2 4.43Å; I662-C667 HydrophobicContact CD1-CB 3.95Å
663P87.6Confident92.1Very high57 Ų5749.1 Ų49.137%0.3730%0.302SS..  trans-53.9144.8169.7-23.633000111.5L666P663-L666 HydrophobicContact CB-CB 4.29Å; P663-L666 HydrophobicContact CG-CD2 4.31Å; P663-L666 WeakPolarHBondContact O-CB 3.49Å; P663-L666 PolarHBondContact O-N 3.37Å
664A85.7Confident92.2Very high96 Ų9645.4 Ų45.479%0.79328%0.276SS*.THydrogen-bonded Turntrans-59.1139.8173.500000110.1L666A664-L666 PolarHBondContact O-N 3.45Å
665G87.3Confident92.3Very high38 Ų3845.3 Ų45.339%0.39228%0.277SS..THydrogen-bonded Turntrans81.8-25.3-178.600000115.5C667 A668 T669G665-C667 PolarHBondContact O-N 2.96Å; G665-C667 VanDerWaalsContact O-N 3.14Å; G665-A668 WeakPolarHBondContact O-CB 3.24Å; G665-A668 PolarHBondContact O-N 3.29Å; G665-T669 PolarHBondContact O-N 3.13Å; G665-T669 VanDerWaalsContact O-N 3.08Å; G665-T669 PolarHBondContact O-OG1 3.45Å
666L93.1Very high92.3Very high11 Ų1145.6 Ų45.66%0.05828%0.279CS..Hα-helixtrans-56.5-37.6-177.3174.863.3000112.9F613 I654 I662 P663 A664 A670F613-L666 HydrophobicContact CE1-CD1 4.15Å; F613-L666 HydrophobicContact CE2-CD1 3.96Å; F613-L666 HydrophobicContact CZ-CD1 3.5Å; I654-L666 HydrophobicContact CD1-CD1 4.22Å; I654-L666 HydrophobicContact CD1-CD2 4.29Å; I654-L666 HydrophobicContact CD1-CG 4.28Å; I654-L666 HydrophobicContact CG1-CD2 4.29Å; I654-L666 HydrophobicContact CG2-CD2 4.26Å; I654-L666 HydrophobicContact CG2-CG 3.96Å; I662-L666 HydrophobicContact CB-CD2 4.43Å; P663-L666 HydrophobicContact CB-CB 4.29Å; P663-L666 HydrophobicContact CG-CD2 4.31Å; P663-L666 WeakPolarHBondContact O-CB 3.49Å; P663-L666 PolarHBondContact O-N 3.37Å; A664-L666 PolarHBondContact O-N 3.45Å; L666-A670 VanDerWaalsContact O-CB 3.29Å; L666-A670 WeakPolarHBondContact O-CB 3.29Å; L666-A670 PolarHBondContact O-N 2.96Å
667C94.7Very high92.4Very high12 Ų1239.1 Ų39.18%0.08125%0.249CC..Hα-helixtrans-64.4-45.3178-163.20000111.7I654 I662 G665 A670 I671 C700 T709I654-C667 HydrophobicContact CG2-CB 4.43Å; I662-C667 HydrophobicContact CD1-CB 3.95Å; G665-C667 PolarHBondContact O-N 2.96Å; G665-C667 VanDerWaalsContact O-N 3.14Å; C667-A670 PolarHBondContact O-N 3.27Å; C667-I671 VanDerWaalsContact O-CG1 3.32Å; C667-I671 WeakPolarHBondContact O-CG1 3.35Å; C667-I671 PolarHBondContact O-N 2.97Å; C667-C700 PolarHBondContact SG-SG 3.33Å; C667-T709 HydrophobicContact CB-CG2 4.31Å
668A94.3Very high92.6Very high6 Ų637.7 Ų37.75%0.0524%0.237CC..Hα-helixtrans-60.5-47.1178.200000111G665 A670 I671 D672 A708 N712G665-A668 WeakPolarHBondContact O-CB 3.24Å; G665-A668 PolarHBondContact O-N 3.29Å; A668-A670 PolarHBondContact O-N 3.46Å; A668-I671 WeakPolarHBondContact O-CB 3.44Å; A668-I671 PolarHBondContact O-N 3.42Å; A668-I671 VanDerWaalsContact O-N 3.15Å; A668-D672 PolarHBondContact O-N 2.88Å; A668-A708 HydrophobicContact CB-CB 4.01Å; A668-N712 WeakPolarHBondContact CB-ND2 3.33Å; A668-N712 PolarHBondContact O-ND2 3.23Å
669T94.8Very high93Very high28 Ų2837.2 Ų37.217%0.17223%0.227CC..Hα-helixtrans-63.4-39175.6-46.40000112.5F613 A623 G665 I671 D672 I673F613-T669 HydrophobicContact CE2-CG2 3.72Å; A623-T669 HydrophobicContact CB-CG2 3.87Å; G665-T669 PolarHBondContact O-N 3.13Å; G665-T669 VanDerWaalsContact O-N 3.08Å; G665-T669 PolarHBondContact O-OG1 3.45Å; T669-I671 VanDerWaalsContact C-N 3.25Å; T669-I671 PolarHBondContact O-N 3Å; T669-D672 PolarHBondContact O-N 2.6Å; T669-I673 WeakPolarHBondContact O-CG1 3.47Å; T669-I673 PolarHBondContact O-N 3.37Å
670A96.7Very high93.6Very high0 Ų035.6 Ų35.60%021%0.208CC..Hα-helixtrans-62.7-34.3175.800000112.2F613 L651 I654 L666 C667 A668 L674F613-A670 HydrophobicContact CZ-CB 4.32Å; L651-A670 HydrophobicContact CD2-CB 3.86Å; I654-A670 HydrophobicContact CB-CB 4.34Å; I654-A670 HydrophobicContact CD1-CB 4.12Å; I654-A670 HydrophobicContact CG2-CB 3.9Å; L666-A670 VanDerWaalsContact O-CB 3.29Å; L666-A670 WeakPolarHBondContact O-CB 3.29Å; L666-A670 PolarHBondContact O-N 2.96Å; C667-A670 PolarHBondContact O-N 3.27Å; A668-A670 PolarHBondContact O-N 3.46Å; A670-L674 PolarHBondContact O-N 2.87Å; A670-L674 VanDerWaalsContact O-N 3.08Å
671I97.6Very high94.1Very high0 Ų029.4 Ų29.40%018%0.175CC..Hα-helixtrans-71-37.4174.8-66.2168.6000111.2M655 C667 A668 T669 L674 T675 V697 T709 N712 C716M655-I671 HydrophobicContact CG-CG1 4.25Å; M655-I671 HydrophobicContact SD-CG1 3.93Å; C667-I671 VanDerWaalsContact O-CG1 3.32Å; C667-I671 WeakPolarHBondContact O-CG1 3.35Å; C667-I671 PolarHBondContact O-N 2.97Å; A668-I671 WeakPolarHBondContact O-CB 3.44Å; A668-I671 PolarHBondContact O-N 3.42Å; A668-I671 VanDerWaalsContact O-N 3.15Å; T669-I671 VanDerWaalsContact C-N 3.25Å; T669-I671 PolarHBondContact O-N 3Å; I671-L674 WeakPolarHBondContact O-CB 3.22Å; I671-L674 PolarHBondContact O-N 3.28Å; I671-T675 WeakPolarHBondContact O-CB 3.36Å; I671-T675 PolarHBondContact O-N 3.3Å; I671-T675 PolarHBondContact O-OG1 3.28Å; I671-V697 HydrophobicContact CD1-CG2 4.26Å; I671-V697 HydrophobicContact CG1-CG2 4.13Å; I671-V697 HydrophobicContact CG2-CG2 3.98Å; I671-T709 HydrophobicContact CD1-CG2 3.68Å; I671-N712 HydrophobicContact CB-CB 4.15Å; I671-N712 VanDerWaalsContact CG2-C 3.4Å; I671-N712 HydrophobicContact CG2-CB 3.89Å; I671-N712 WeakPolarHBondContact CG2-O 3.47Å; I671-C716 HydrophobicContact CG2-CB 3.54Å
672D96.1Very high94.2Very high48 Ų4828.7 Ų28.726%0.25717%0.172SC..Hα-helixtrans-65.6-41175.6-67.3-23.3000112.2A668 T669 L674 T675 T676 N712A668-D672 PolarHBondContact O-N 2.88Å; T669-D672 PolarHBondContact O-N 2.6Å; D672-L674 VanDerWaalsContact C-N 3.32Å; D672-L674 PolarHBondContact O-N 3.46Å; D672-T675 WeakPolarHBondContact O-CB 3.43Å; D672-T675 PolarHBondContact O-N 3.21Å; D672-T676 WeakPolarHBondContact O-CB 3.45Å; D672-T676 PolarHBondContact O-N 3.5Å; D672-T676 PolarHBondContact O-OG1 3.14Å; D672-N712 WeakPolarHBondContact OD1-CB 3.5Å; D672-N712 PolarHBondContact OD1-ND2 3.19Å; D672-N712 PolarHBondContact OD2-ND2 3.48Å
673I97.5Very high94.3Very high0 Ų030.2 Ų30.20%018%0.184CC..Hα-helixtrans-59.6-45.5171.7-67.1169.3000110.1F613 Q627 F630 L647 L651 T669 T675 T676 V677F613-I673 HydrophobicContact CD1-CD1 4.15Å; F613-I673 HydrophobicContact CD2-CD1 3.64Å; F613-I673 HydrophobicContact CE1-CD1 3.97Å; F613-I673 HydrophobicContact CE2-CD1 3.45Å; F613-I673 VanDerWaalsContact CE2-CD1 3.45Å; F613-I673 HydrophobicContact CG-CD1 3.99Å; F613-I673 HydrophobicContact CZ-CD1 3.61Å; Q627-I673 HydrophobicContact CB-CG1 4.16Å; Q627-I673 HydrophobicContact CG-CG1 4.39Å; F630-I673 HydrophobicContact CB-CG2 4.48Å; F630-I673 HydrophobicContact CD2-CD1 4.33Å; F630-I673 HydrophobicContact CD2-CG1 4.42Å; F630-I673 HydrophobicContact CD2-CG2 3.64Å; F630-I673 HydrophobicContact CE2-CD1 4.22Å; F630-I673 HydrophobicContact CE2-CG2 4.17Å; F630-I673 HydrophobicContact CG-CG2 4.26Å; L647-I673 HydrophobicContact CD1-CG2 4.41Å; L647-I673 HydrophobicContact CD2-CG2 4Å; L651-I673 HydrophobicContact CD1-CG2 4.03Å; L651-I673 HydrophobicContact CD2-CG2 4.36Å; T669-I673 WeakPolarHBondContact O-CG1 3.47Å; T669-I673 PolarHBondContact O-N 3.37Å; I673-T675 VanDerWaalsContact C-N 3.34Å; I673-T675 PolarHBondContact O-N 3.01Å; I673-T676 WeakPolarHBondContact O-CB 3.41Å; I673-T676 PolarHBondContact O-N 3.11Å; I673-V677 WeakPolarHBondContact O-CG2 3.2Å; I673-V677 PolarHBondContact O-N 3.16Å
674L98.3Very high94.5Very high0 Ų032.5 Ų32.50%020%0.199CC..Hα-helixtrans-60.8-43.6176.3179.260.5000111.6I648 L651 M655 A670 I671 D672 T676 V677 V678 L689 A693 V697 Y720I648-L674 HydrophobicContact CD1-CD1 3.9Å; L651-L674 HydrophobicContact CD1-CB 4.09Å; M655-L674 HydrophobicContact CE-CD2 4.04Å; M655-L674 HydrophobicContact SD-CD2 4.47Å; A670-L674 PolarHBondContact O-N 2.87Å; A670-L674 VanDerWaalsContact O-N 3.08Å; I671-L674 WeakPolarHBondContact O-CB 3.22Å; I671-L674 PolarHBondContact O-N 3.28Å; D672-L674 VanDerWaalsContact C-N 3.32Å; D672-L674 PolarHBondContact O-N 3.46Å; L674-T676 VanDerWaalsContact C-N 3.3Å; L674-T676 PolarHBondContact O-N 2.83Å; L674-V677 PolarHBondContact O-N 3.45Å; L674-V678 HydrophobicContact CD1-CG2 4.2Å; L674-V678 HydrophobicContact CG-CG2 4.43Å; L674-V678 VanDerWaalsContact O-CG2 3.28Å; L674-V678 WeakPolarHBondContact O-CG2 3.46Å; L674-V678 PolarHBondContact O-N 2.98Å; L674-L689 HydrophobicContact CD1-CD2 3.79Å; L674-A693 HydrophobicContact CD1-CB 3.84Å; L674-A693 HydrophobicContact CD2-CB 4.02Å; L674-V697 HydrophobicContact CD2-CB 4.2Å; L674-V697 HydrophobicContact CD2-CG1 4.32Å; L674-Y720 HydrophobicContact CD2-CE2 4.49Å
675T98Very high94.9Very high11 Ų1128.2 Ų28.27%0.06716%0.163CC..Hα-helixtrans-57.3-46.2176.8-56.90000110.7I671 D672 I673 V678 R679 C716 A719I671-T675 WeakPolarHBondContact O-CB 3.36Å; I671-T675 PolarHBondContact O-N 3.3Å; I671-T675 PolarHBondContact O-OG1 3.28Å; D672-T675 WeakPolarHBondContact O-CB 3.43Å; D672-T675 PolarHBondContact O-N 3.21Å; I673-T675 VanDerWaalsContact C-N 3.34Å; I673-T675 PolarHBondContact O-N 3.01Å; T675-V678 PolarHBondContact O-N 3.36Å; T675-R679 WeakPolarHBondContact O-CG 3.36Å; T675-R679 PolarHBondContact O-N 2.97Å; T675-C716 WeakPolarHBondContact OG1-CA 3.16Å; T675-C716 WeakPolarHBondContact OG1-CB 3.45Å; T675-C716 PolarHBondContact OG1-SG 3.02Å; T675-A719 HydrophobicContact CG2-CB 3.92Å
676T97.1Very high95.3Very high17 Ų1728.1 Ų28.110%0.10416%0.156CC..Hα-helixtrans-60.8-46.8177.4-63.10000111.8Q627 K631 D672 I673 L674 V678 R679 N680Q627-T676 HydrophobicContact CG-CG2 4.08Å; Q627-T676 PolarHBondContact NE2-OG1 3.42Å; K631-T676 HydrophobicContact CB-CG2 3.61Å; K631-T676 HydrophobicContact CG-CG2 4.14Å; D672-T676 WeakPolarHBondContact O-CB 3.45Å; D672-T676 PolarHBondContact O-N 3.5Å; D672-T676 PolarHBondContact O-OG1 3.14Å; I673-T676 WeakPolarHBondContact O-CB 3.41Å; I673-T676 PolarHBondContact O-N 3.11Å; L674-T676 VanDerWaalsContact C-N 3.3Å; L674-T676 PolarHBondContact O-N 2.83Å; T676-V678 VanDerWaalsContact C-N 3.34Å; T676-V678 PolarHBondContact O-N 3.03Å; T676-R679 PolarHBondContact O-N 3.18Å; T676-N680 WeakPolarHBondContact O-CB 3.29Å; T676-N680 PolarHBondContact O-N 3.35Å; T676-N680 VanDerWaalsContact O-N 3.07Å; T676-N680 PolarHBondContact O-ND2 3.04Å
677V97.8Very high95.3Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-61.4-42.8176.9171.90000111.1M643 Q644 L647 I673 L674 N680 T681 L689M643-V677 HydrophobicContact CE-CG1 3.85Å; M643-V677 HydrophobicContact CE-CG2 4.03Å; Q644-V677 HydrophobicContact CG-CG1 4.44Å; L647-V677 HydrophobicContact CD2-CG2 3.91Å; I673-V677 WeakPolarHBondContact O-CG2 3.2Å; I673-V677 PolarHBondContact O-N 3.16Å; L674-V677 PolarHBondContact O-N 3.45Å; V677-N680 PolarHBondContact O-N 2.9Å; V677-T681 VanDerWaalsContact O-CB 3.29Å; V677-T681 WeakPolarHBondContact O-CB 3.39Å; V677-T681 PolarHBondContact O-N 3.35Å; V677-T681 PolarHBondContact O-OG1 3.09Å; V677-L689 HydrophobicContact CG1-CD2 4.25Å
678V97.5Very high95.4Very high0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-63.5-45.1178.8168.60000111.3L674 T675 T676 N680 L685 L689 A719 Y720 V723L674-V678 HydrophobicContact CD1-CG2 4.2Å; L674-V678 HydrophobicContact CG-CG2 4.43Å; L674-V678 VanDerWaalsContact O-CG2 3.28Å; L674-V678 WeakPolarHBondContact O-CG2 3.46Å; L674-V678 PolarHBondContact O-N 2.98Å; T675-V678 PolarHBondContact O-N 3.36Å; T676-V678 VanDerWaalsContact C-N 3.34Å; T676-V678 PolarHBondContact O-N 3.03Å; V678-N680 VanDerWaalsContact C-N 3.32Å; V678-N680 PolarHBondContact O-N 3.43Å; V678-L685 HydrophobicContact CG1-CD1 4.01Å; V678-L685 HydrophobicContact CG2-CD1 4.5Å; V678-L689 HydrophobicContact CG2-CD2 4.33Å; V678-A719 HydrophobicContact CG1-CB 3.98Å; V678-Y720 HydrophobicContact CG1-CD1 4.38Å; V678-Y720 HydrophobicContact CG1-CD2 4.43Å; V678-Y720 HydrophobicContact CG1-CG 4.3Å; V678-Y720 HydrophobicContact CG2-CD2 4.27Å; V678-Y720 HydrophobicContact CG2-CE1 4.03Å; V678-Y720 HydrophobicContact CG2-CE2 3.69Å; V678-V723 HydrophobicContact CG1-CB 4.5Å; V678-V723 HydrophobicContact CG1-CG2 4.47Å
679R96.1Very high95.5Very high54 Ų5434.5 Ų34.520%0.20418%0.184CC..Hα-helixtrans-66.9-31.5-180-72.6-170.2178.6-78.2-0.2113.5T675 T676 A719 P992 D993T675-R679 WeakPolarHBondContact O-CG 3.36Å; T675-R679 PolarHBondContact O-N 2.97Å; T676-R679 PolarHBondContact O-N 3.18Å; R679-A719 HydrophobicContact CG-CB 3.76Å; R679-P992 VanDerWaalsContact NH1-CG 3.35Å; R679-D993 IonicContact NH1-OD1 2.79Å; R679-D993 IonicContact NH1-OD2 3.62Å
680N95.5Very high95.6Very high41 Ų4133.5 Ų33.522%0.21918%0.178CC..Hα-helixtrans-99.2-3.6-175.7-70-83.9000114S634 Q635 T676 V677 V678S634-N680 CarbonylContact C-O 3.27Å; Q635-N680 HydrophobicContact CG-CB 4.04Å; Q635-N680 PolarHBondContact NE2-OD1 3.4Å; T676-N680 WeakPolarHBondContact O-CB 3.29Å; T676-N680 PolarHBondContact O-N 3.35Å; T676-N680 VanDerWaalsContact O-N 3.07Å; T676-N680 PolarHBondContact O-ND2 3.04Å; V677-N680 PolarHBondContact O-N 2.9Å; V678-N680 VanDerWaalsContact C-N 3.32Å; V678-N680 PolarHBondContact O-N 3.43Å
681T95.2Very high95.5Very high7 Ų736.1 Ų36.14%0.04320%0.195CC..SBendtrans-88.6129.3174-62.20000110.5Q644 V677 P683 L685 L689Q644-T681 PolarHBondContact NE2-OG1 2.87Å; V677-T681 VanDerWaalsContact O-CB 3.29Å; V677-T681 WeakPolarHBondContact O-CB 3.39Å; V677-T681 PolarHBondContact O-N 3.35Å; V677-T681 PolarHBondContact O-OG1 3.09Å; T681-P683 WeakPolarHBondContact O-CD 3.42Å; T681-L685 HydrophobicContact CG2-CD2 3.77Å; T681-L689 HydrophobicContact CG2-CD1 4.4Å
682K89Confident95.4Very high138 Ų13840.4 Ų40.460%0.622%0.215SC*.PPolyproline II helixtrans-65.3128.3177.2-172.8178.4178.1-178.60111.1
683P90.4Very high95.4Very high71 Ų7138.1 Ų38.146%0.46120%0.204SC..SBendtrans-63.1147.7173.8-24.134.5000112.7T681 V723T681-P683 WeakPolarHBondContact O-CD 3.42Å; P683-V723 HydrophobicContact CG-CG1 3.67Å
684P92.9Very high95.4Very high104 Ų10438.1 Ų38.168%0.67520%0.204SC*.SBendcis-76.6142.51.431.1-34.6000112.9
685L94Very high95.3Very high6 Ų639.3 Ų39.33%0.03121%0.211CC..PPolyproline II helixtrans-65.4150.6176.4-61.4-171.7000111.3V678 T681 L689 I690 Y720 V723 T724 Q727V678-L685 HydrophobicContact CG1-CD1 4.01Å; V678-L685 HydrophobicContact CG2-CD1 4.5Å; T681-L685 HydrophobicContact CG2-CD2 3.77Å; L685-L689 HydrophobicContact CB-CB 4.24Å; L685-L689 HydrophobicContact CB-CD1 4.16Å; L685-L689 HydrophobicContact CD1-CD1 4.45Å; L685-L689 HydrophobicContact CD2-CD1 4.1Å; L685-L689 HydrophobicContact CG-CD1 4.47Å; L685-I690 HydrophobicContact CB-CD1 4.13Å; L685-I690 HydrophobicContact CB-CG1 4.13Å; L685-I690 HydrophobicContact CD1-CD1 4.31Å; L685-Y720 HydrophobicContact CD1-CD1 3.98Å; L685-Y720 HydrophobicContact CD1-CE1 3.87Å; L685-V723 HydrophobicContact CD2-CG1 4.25Å; L685-T724 HydrophobicContact CB-CG2 4.36Å; L685-T724 HydrophobicContact CD1-CG2 3.39Å; L685-T724 HydrophobicContact CG-CG2 3.7Å; L685-Q727 PolarHBondContact O-NE2 2.9Å
686S94.7Very high95.3Very high37 Ų3739 Ų3926%0.25921%0.209SC..PPolyproline II helixtrans-67.1160.2-178.876.30000112.8Q644 L688 L689 I690Q644-S686 PolarHBondContact OE1-OG 2.99Å; S686-L688 PolarHBondContact O-N 3.12Å; S686-L688 PolarHBondContact OG-N 3.42Å; S686-L689 PolarHBondContact O-N 2.83Å; S686-L689 VanDerWaalsContact O-N 3.14Å; S686-L689 PolarHBondContact OG-N 2.85Å; S686-I690 PolarHBondContact O-N 3.23Å; S686-I690 VanDerWaalsContact O-N 3.08Å
687Q93.8Very high95.3Very high133 Ų13338.1 Ų38.162%0.62120%0.204SC*.Hα-helixtrans-62-26175.6-69.6-64-34.400112.8C691Q687-C691 WeakPolarHBondContact O-CA 3.32Å; Q687-C691 WeakPolarHBondContact O-CB 3.16Å; Q687-C691 PolarHBondContact O-N 3.2Å; Q687-C691 PolarHBondContact OE1-SG 3.44Å
688L95.4Very high95.3Very high29 Ų2938.1 Ų38.115%0.15220%0.204CC..Hα-helixtrans-67.1-45.2173.5-75.1-179.9000111.5Q644 M645 I648 S686 I690 Q692 A693Q644-L688 HydrophobicContact CB-CD1 4.39Å; M645-L688 HydrophobicContact CG-CD1 4.12Å; M645-L688 HydrophobicContact SD-CD1 3.48Å; M645-L688 WeakPolarHBondContact SD-CD1 3.47Å; M645-L688 HydrophobicContact SD-CG 4.38Å; I648-L688 HydrophobicContact CG2-CB 4.46Å; S686-L688 PolarHBondContact O-N 3.12Å; S686-L688 PolarHBondContact OG-N 3.42Å; L688-I690 VanDerWaalsContact C-N 3.35Å; L688-Q692 HydrophobicContact CD2-CG 4.44Å; L688-Q692 WeakPolarHBondContact O-CB 3.3Å; L688-Q692 PolarHBondContact O-N 3.07Å; L688-Q692 VanDerWaalsContact O-N 3.11Å; L688-A693 PolarHBondContact O-N 2.96Å
689L97Very high95.2Very high0 Ų041.5 Ų41.50%022%0.22CC..Iπ-helixtrans-66-38.3179.2-71.4173000112I648 L674 V677 V678 T681 L685 S686 A693 F694 Y720I648-L689 HydrophobicContact CD1-CD2 3.6Å; I648-L689 HydrophobicContact CG1-CD2 4.17Å; L674-L689 HydrophobicContact CD1-CD2 3.79Å; V677-L689 HydrophobicContact CG1-CD2 4.25Å; V678-L689 HydrophobicContact CG2-CD2 4.33Å; T681-L689 HydrophobicContact CG2-CD1 4.4Å; L685-L689 HydrophobicContact CB-CB 4.24Å; L685-L689 HydrophobicContact CB-CD1 4.16Å; L685-L689 HydrophobicContact CD1-CD1 4.45Å; L685-L689 HydrophobicContact CD2-CD1 4.1Å; L685-L689 HydrophobicContact CG-CD1 4.47Å; S686-L689 PolarHBondContact O-N 2.83Å; S686-L689 VanDerWaalsContact O-N 3.14Å; S686-L689 PolarHBondContact OG-N 2.85Å; L689-A693 HydrophobicContact CD2-CB 4.41Å; L689-F694 WeakPolarHBondContact O-CB 3.48Å; L689-F694 PolarHBondContact O-N 3.35Å; L689-Y720 PolarHBondContact O-OH 3.39Å
690I96.4Very high95.1Very high7 Ų739.7 Ų39.74%0.03622%0.215CC..Iπ-helixtrans-84.1-47.2-178.1-61-62.8000112.6L685 S686 L688 F694 P695 Y720 T724 Q727 W731L685-I690 HydrophobicContact CB-CD1 4.13Å; L685-I690 HydrophobicContact CB-CG1 4.13Å; L685-I690 HydrophobicContact CD1-CD1 4.31Å; S686-I690 PolarHBondContact O-N 3.23Å; S686-I690 VanDerWaalsContact O-N 3.08Å; L688-I690 VanDerWaalsContact C-N 3.35Å; I690-F694 WeakPolarHBondContact O-CB 3.47Å; I690-P695 VanDerWaalsContact O-CD 3.29Å; I690-P695 WeakPolarHBondContact O-CD 3.48Å; I690-Y720 HydrophobicContact CD1-CD1 4.4Å; I690-Y720 HydrophobicContact CD1-CE1 4.23Å; I690-T724 HydrophobicContact CD1-CG2 4.02Å; I690-Q727 HydrophobicContact CD1-CB 3.91Å; I690-Q727 HydrophobicContact CG1-CB 4.31Å; I690-W731 HydrophobicContact CG2-CB 3.88Å; I690-W731 HydrophobicContact CG2-CG 4.02Å
691C94.4Very high95.1Very high55 Ų5537.8 Ų37.837%0.37221%0.205SC..Iπ-helixtrans-91.7-14.9-171.4-65.70000114.3Q687 P695Q687-C691 WeakPolarHBondContact O-CA 3.32Å; Q687-C691 WeakPolarHBondContact O-CB 3.16Å; Q687-C691 PolarHBondContact O-N 3.2Å; Q687-C691 PolarHBondContact OE1-SG 3.44Å; C691-P695 WeakPolarHBondContact O-CG 3.44Å
692Q95.4Very high95.1Very high90 Ų9039.2 Ų39.242%0.42121%0.213SC..Iπ-helixtrans-119.9-53178.5-59.2-174.214.400112.4V652 L688 P695 A696V652-Q692 HydrophobicContact CG2-CB 4.43Å; L688-Q692 HydrophobicContact CD2-CG 4.44Å; L688-Q692 WeakPolarHBondContact O-CB 3.3Å; L688-Q692 PolarHBondContact O-N 3.07Å; L688-Q692 VanDerWaalsContact O-N 3.11Å; Q692-P695 WeakPolarHBondContact O-CD 3.39Å; Q692-P695 WeakPolarHBondContact O-CG 3.41Å; Q692-A696 VanDerWaalsContact O-CB 3.27Å; Q692-A696 WeakPolarHBondContact O-CB 3.45Å; Q692-A696 PolarHBondContact O-N 2.79Å
693A97.2Very high95.3Very high1 Ų139.6 Ų39.61%0.00822%0.216CC..Iπ-helixtrans-71.8-48.3-17400000112.9I648 V652 L674 L688 L689 A696 V697I648-A693 HydrophobicContact CG2-CB 3.85Å; V652-A693 HydrophobicContact CG2-CB 4.41Å; L674-A693 HydrophobicContact CD1-CB 3.84Å; L674-A693 HydrophobicContact CD2-CB 4.02Å; L688-A693 PolarHBondContact O-N 2.96Å; L689-A693 HydrophobicContact CD2-CB 4.41Å; A693-A696 WeakPolarHBondContact O-CB 3.49Å; A693-A696 PolarHBondContact O-N 3.03Å; A693-A696 VanDerWaalsContact O-N 3.15Å; A693-V697 PolarHBondContact O-N 3.19Å
694F97.7Very high95.3Very high0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-54.6-52.7177.3174.6-94.4000113.6L689 I690 A696 V697 A698 L717 Y720 V728 W731 V743L689-F694 WeakPolarHBondContact O-CB 3.48Å; L689-F694 PolarHBondContact O-N 3.35Å; I690-F694 WeakPolarHBondContact O-CB 3.47Å; F694-A696 VanDerWaalsContact C-N 3.28Å; F694-A696 PolarHBondContact O-N 3.34Å; F694-V697 VanDerWaalsContact O-CG1 3.23Å; F694-V697 WeakPolarHBondContact O-CG1 3.48Å; F694-V697 PolarHBondContact O-N 3.45Å; F694-A698 WeakPolarHBondContact O-CB 3.47Å; F694-A698 PolarHBondContact O-N 3.25Å; F694-L717 HydrophobicContact CD2-CD2 3.97Å; F694-L717 HydrophobicContact CE2-CD2 3.55Å; F694-L717 HydrophobicContact CZ-CD2 4.34Å; F694-Y720 HydrophobicContact CB-CD1 4.48Å; F694-Y720 HydrophobicContact CB-CE1 3.95Å; F694-Y720 HydrophobicContact CB-CE2 4.45Å; F694-Y720 AromaticContact CD2-CD1 3.97Å; F694-Y720 HydrophobicContact CD2-CD1 3.97Å; F694-Y720 HydrophobicContact CD2-CD2 4.05Å; F694-Y720 HydrophobicContact CD2-CE1 4.26Å; F694-Y720 HydrophobicContact CD2-CE2 4.35Å; F694-Y720 AromaticContact CD2-CG 3.86Å; F694-Y720 HydrophobicContact CD2-CG 3.86Å; F694-Y720 PolarHBondContact N-OH 3.01Å; F694-V728 HydrophobicContact CD2-CG2 4.39Å; F694-V728 HydrophobicContact CE1-CG1 4.37Å; F694-V728 HydrophobicContact CE2-CG1 3.75Å; F694-V728 HydrophobicContact CE2-CG2 4.23Å; F694-V728 HydrophobicContact CZ-CG1 3.64Å; F694-W731 HydrophobicContact CD1-CD2 4.44Å; F694-W731 HydrophobicContact CD1-CE3 4.08Å; F694-W731 HydrophobicContact CD1-CZ3 4.25Å; F694-W731 AromaticContact CE1-CE3 3.9Å; F694-W731 HydrophobicContact CE1-CE3 3.9Å; F694-W731 AromaticContact CE1-CZ3 3.99Å; F694-W731 HydrophobicContact CE1-CZ3 3.99Å; F694-V743 HydrophobicContact CE2-CG2 4.25Å; F694-V743 HydrophobicContact CZ-CG2 4.19Å
695P96.3Very high95.1Very high24 Ų2439.4 Ų39.416%0.15621%0.207CC..Hα-helixtrans-65.1-32.9177.322.4-31.5000112.5I690 C691 Q692 Q699 W731I690-P695 VanDerWaalsContact O-CD 3.29Å; I690-P695 WeakPolarHBondContact O-CD 3.48Å; C691-P695 WeakPolarHBondContact O-CG 3.44Å; Q692-P695 WeakPolarHBondContact O-CD 3.39Å; Q692-P695 WeakPolarHBondContact O-CG 3.41Å; P695-Q699 VanDerWaalsContact O-CB 3.27Å; P695-Q699 WeakPolarHBondContact O-CB 3.38Å; P695-Q699 WeakPolarHBondContact O-CG 3.35Å; P695-Q699 PolarHBondContact O-N 3.04Å; P695-W731 HydrophobicContact CB-CH2 3.77Å; P695-W731 HydrophobicContact CB-CZ2 3.77Å; P695-W731 HydrophobicContact CG-CH2 4.38Å; P695-W731 HydrophobicContact CG-CZ2 3.89Å
696A96.9Very high94.9Very high4 Ų442.1 Ų42.13%0.03322%0.221CC..Hα-helixtrans-64.7-46.9177.300000112V652 M655 Q692 A693 F694 C700V652-A696 HydrophobicContact CB-CB 4.42Å; V652-A696 HydrophobicContact CG1-CB 4Å; V652-A696 HydrophobicContact CG2-CB 4.06Å; M655-A696 HydrophobicContact CE-CB 3.83Å; M655-A696 HydrophobicContact SD-CB 4.49Å; Q692-A696 VanDerWaalsContact O-CB 3.27Å; Q692-A696 WeakPolarHBondContact O-CB 3.45Å; Q692-A696 PolarHBondContact O-N 2.79Å; A693-A696 WeakPolarHBondContact O-CB 3.49Å; A693-A696 PolarHBondContact O-N 3.03Å; A693-A696 VanDerWaalsContact O-N 3.15Å; F694-A696 VanDerWaalsContact C-N 3.28Å; F694-A696 PolarHBondContact O-N 3.34Å; A696-C700 WeakPolarHBondContact O-CB 3.15Å; A696-C700 PolarHBondContact O-N 3.45Å
697V97.7Very high94.8Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-67.1-41.3177.9660000111.6M655 I671 L674 A693 F694 Q699 C700 T701 C716 L717 Y720M655-V697 HydrophobicContact SD-CB 3.74Å; M655-V697 HydrophobicContact SD-CG2 4.24Å; I671-V697 HydrophobicContact CD1-CG2 4.26Å; I671-V697 HydrophobicContact CG1-CG2 4.13Å; I671-V697 HydrophobicContact CG2-CG2 3.98Å; L674-V697 HydrophobicContact CD2-CB 4.2Å; L674-V697 HydrophobicContact CD2-CG1 4.32Å; A693-V697 PolarHBondContact O-N 3.19Å; F694-V697 VanDerWaalsContact O-CG1 3.23Å; F694-V697 WeakPolarHBondContact O-CG1 3.48Å; F694-V697 PolarHBondContact O-N 3.45Å; V697-Q699 PolarHBondContact O-N 2.89Å; V697-C700 PolarHBondContact O-N 2.83Å; V697-T701 WeakPolarHBondContact O-CB 3.48Å; V697-T701 PolarHBondContact O-N 2.99Å; V697-T701 PolarHBondContact O-OG1 2.89Å; V697-C716 HydrophobicContact CG2-CB 4.04Å; V697-L717 HydrophobicContact CG1-CD2 4.07Å; V697-Y720 HydrophobicContact CG1-CE2 4.37Å
698A96.8Very high94.7Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-61-47.2177.300000111.7F694 L702 L717 Y742F694-A698 WeakPolarHBondContact O-CB 3.47Å; F694-A698 PolarHBondContact O-N 3.25Å; A698-L702 VanDerWaalsContact O-CG 3.27Å; A698-L702 WeakPolarHBondContact O-CG 3.42Å; A698-L702 PolarHBondContact O-N 3.39Å; A698-L702 VanDerWaalsContact O-N 3.16Å; A698-L717 HydrophobicContact CB-CD2 4.46Å; A698-Y742 HydrophobicContact CB-CD1 4.08Å; A698-Y742 HydrophobicContact CB-CG 4.31Å
699Q95.5Very high94.6Very high70 Ų7037.2 Ų37.233%0.32720%0.202SC..Hα-helixtrans-67.3-41.8178.5-70.8-71.6-5.300112.3P695 V697 T701 L702 H703 Y742P695-Q699 VanDerWaalsContact O-CB 3.27Å; P695-Q699 WeakPolarHBondContact O-CB 3.38Å; P695-Q699 WeakPolarHBondContact O-CG 3.35Å; P695-Q699 PolarHBondContact O-N 3.04Å; V697-Q699 PolarHBondContact O-N 2.89Å; Q699-T701 PolarHBondContact O-N 3.48Å; Q699-L702 PolarHBondContact O-N 3.35Å; Q699-H703 PolarHBondContact O-N 2.81Å; Q699-H703 PolarHBondContact O-ND1 2.73Å; Q699-H703 PolarHBondContact OE1-CE1 2.9Å; Q699-H703 PolarHBondContact OE1-ND1 3.04Å; Q699-Y742 PolarHBondContact NE2-OH 3.5Å
700C95.5Very high94.5Very high16 Ų1637.6 Ų37.611%0.10820%0.203CC..Hα-helixtrans-58.7-47.8176.6-173.60000111.1M655 C667 A696 V697 L702 H703 T704M655-C700 HydrophobicContact CB-CB 4.06Å; M655-C700 HydrophobicContact CG-CB 4.48Å; M655-C700 PolarHBondContact O-SG 3.14Å; C667-C700 PolarHBondContact SG-SG 3.33Å; A696-C700 WeakPolarHBondContact O-CB 3.15Å; A696-C700 PolarHBondContact O-N 3.45Å; V697-C700 PolarHBondContact O-N 2.83Å; C700-L702 VanDerWaalsContact C-N 3.3Å; C700-L702 PolarHBondContact O-N 3.44Å; C700-H703 PolarHBondContact O-N 3.09Å; C700-T704 WeakPolarHBondContact O-CB 3.24Å; C700-T704 WeakPolarHBondContact O-CG2 3.38Å; C700-T704 PolarHBondContact O-N 2.96Å
701T95.5Very high94.4Very high1 Ų139 Ų391%0.00621%0.21CC..Hα-helixtrans-61.8-35.7178.9-51.10000112.5V697 Q699 G713 V746V697-T701 WeakPolarHBondContact O-CB 3.48Å; V697-T701 PolarHBondContact O-N 2.99Å; V697-T701 PolarHBondContact O-OG1 2.89Å; Q699-T701 PolarHBondContact O-N 3.48Å; T701-G713 VanDerWaalsContact OG1-CA 3.32Å; T701-G713 WeakPolarHBondContact OG1-CA 3.36Å; T701-V746 HydrophobicContact CG2-CB 4.48Å; T701-V746 HydrophobicContact CG2-CG1 3.56Å; T701-V746 HydrophobicContact CG2-CG2 4.1Å
702L94.9Very high94.4Very high38 Ų3837.6 Ų37.620%0.19920%0.199CC..Hα-helixtrans-74.7-25.2179.4-72.5171.5000114.2A698 Q699 C700 Y742 Q745 V746 Q749A698-L702 VanDerWaalsContact O-CG 3.27Å; A698-L702 WeakPolarHBondContact O-CG 3.42Å; A698-L702 PolarHBondContact O-N 3.39Å; A698-L702 VanDerWaalsContact O-N 3.16Å; Q699-L702 PolarHBondContact O-N 3.35Å; C700-L702 VanDerWaalsContact C-N 3.3Å; C700-L702 PolarHBondContact O-N 3.44Å; L702-Y742 HydrophobicContact CD1-CD1 4.19Å; L702-Q745 HydrophobicContact CD1-CB 4.05Å; L702-Q745 HydrophobicContact CD2-CB 3.78Å; L702-V746 HydrophobicContact CD1-CG2 4.4Å; L702-V746 HydrophobicContact CD2-CB 4.48Å; L702-V746 HydrophobicContact CD2-CG2 3.76Å; L702-V746 HydrophobicContact CG-CG2 3.74Å; L702-Q749 HydrophobicContact CD2-CB 4.14Å
703H92.4Very high94.5Very high146 Ų14633.3 Ų33.368%0.67618%0.179SC*.Hα-helixtrans-112.4-13.1-171-6789.7000114.4Q699 C700Q699-H703 PolarHBondContact O-N 2.81Å; Q699-H703 PolarHBondContact O-ND1 2.73Å; Q699-H703 PolarHBondContact OE1-CE1 2.9Å; Q699-H703 PolarHBondContact OE1-ND1 3.04Å; C700-H703 PolarHBondContact O-N 3.09Å
704T91.4Very high94.5Very high29 Ų2933.5 Ų33.518%0.17818%0.18CC..  trans-70.4153.4175.7-168.10000111.1C700 D706 T709 M710C700-T704 WeakPolarHBondContact O-CB 3.24Å; C700-T704 WeakPolarHBondContact O-CG2 3.38Å; C700-T704 PolarHBondContact O-N 2.96Å; T704-D706 PolarHBondContact OG1-N 3.35Å; T704-D706 VanDerWaalsContact OG1-N 3.16Å; T704-T709 HydrophobicContact CG2-CG2 3.88Å; T704-M710 HydrophobicContact CG2-CE 4.16Å; T704-M710 HydrophobicContact CG2-CG 3.54Å; T704-M710 WeakPolarHBondContact O-CE 3.26Å
705D88.1Confident94.4Very high142 Ų14235 Ų3576%0.75919%0.187SC*.  trans-106.1-3.8166.659-17.3000112.4
706D90.5Very high94.5Very high63 Ų6333.8 Ų33.834%0.33718%0.18SC..  trans-82.3121.4178.8176.357.3000112.2T704 A708 T709 M710T704-D706 PolarHBondContact OG1-N 3.35Å; T704-D706 VanDerWaalsContact OG1-N 3.16Å; D706-A708 PolarHBondContact O-N 3.15Å; D706-T709 PolarHBondContact O-N 3.35Å; D706-T709 VanDerWaalsContact OD2-CB 3.27Å; D706-T709 WeakPolarHBondContact OD2-CB 3.47Å; D706-T709 PolarHBondContact OD2-N 3.02Å; D706-T709 PolarHBondContact OD2-OG1 2.87Å; D706-M710 WeakPolarHBondContact O-CG 3.33Å; D706-M710 PolarHBondContact O-N 3.03Å
707N91.3Very high94.5Very high55 Ų5533.6 Ų33.629%0.29418%0.178SC..Hα-helixtrans-63.6-37.9-176.9-68.5-34.6000112.6M710 Q711 S756N707-M710 WeakPolarHBondContact O-CB 3.38Å; N707-M710 PolarHBondContact O-N 3.35Å; N707-Q711 WeakPolarHBondContact O-CB 3.43Å; N707-Q711 VanDerWaalsContact O-CG 3.29Å; N707-Q711 WeakPolarHBondContact O-CG 3.42Å; N707-Q711 PolarHBondContact O-N 3.31Å; N707-S756 WeakPolarHBondContact OD1-CB 3.44Å
708A91.7Very high94.5Very high36 Ų3634 Ų3430%0.29818%0.18SC..Hα-helixtrans-66.2-45.3-179.800000110.8A668 D706 M710 Q711 N712A668-A708 HydrophobicContact CB-CB 4.01Å; D706-A708 PolarHBondContact O-N 3.15Å; A708-M710 VanDerWaalsContact C-N 3.29Å; A708-M710 PolarHBondContact O-N 2.82Å; A708-Q711 PolarHBondContact O-N 3.15Å; A708-N712 WeakPolarHBondContact O-CB 3.28Å; A708-N712 VanDerWaalsContact O-CG 3.3Å; A708-N712 PolarHBondContact O-N 3.35Å; A708-N712 PolarHBondContact O-OD1 2.92Å
709T93.9Very high94.5Very high5 Ų534 Ų343%0.03118%0.18CC..Hα-helixtrans-59.9-39.2173.7-56.80000111.4C667 I671 T704 D706 G713C667-T709 HydrophobicContact CB-CG2 4.31Å; I671-T709 HydrophobicContact CD1-CG2 3.68Å; T704-T709 HydrophobicContact CG2-CG2 3.88Å; D706-T709 PolarHBondContact O-N 3.35Å; D706-T709 VanDerWaalsContact OD2-CB 3.27Å; D706-T709 WeakPolarHBondContact OD2-CB 3.47Å; D706-T709 PolarHBondContact OD2-N 3.02Å; D706-T709 PolarHBondContact OD2-OG1 2.87Å; T709-G713 WeakPolarHBondContact O-CA 3.49Å; T709-G713 PolarHBondContact O-N 2.86Å
710M94.2Very high94.6Very high7 Ų730.6 Ų30.63%0.03416%0.164CC..Hα-helixtrans-63.6-46.6175.3-72.9-170.6-173.500112.7T704 D706 N707 A708 G713 G714 L750 T759T704-M710 HydrophobicContact CG2-CE 4.16Å; T704-M710 HydrophobicContact CG2-CG 3.54Å; T704-M710 WeakPolarHBondContact O-CE 3.26Å; D706-M710 WeakPolarHBondContact O-CG 3.33Å; D706-M710 PolarHBondContact O-N 3.03Å; N707-M710 WeakPolarHBondContact O-CB 3.38Å; N707-M710 PolarHBondContact O-N 3.35Å; A708-M710 VanDerWaalsContact C-N 3.29Å; A708-M710 PolarHBondContact O-N 2.82Å; M710-G713 PolarHBondContact O-N 2.7Å; M710-G714 PolarHBondContact O-N 3.03Å; M710-L750 HydrophobicContact CB-CD2 3.75Å; M710-L750 HydrophobicContact CG-CD2 4.49Å; M710-T759 HydrophobicContact SD-CG2 3.52Å; M710-T759 VanDerWaalsContact SD-CG2 3.52Å
711Q94.4Very high94.6Very high38 Ų3829.9 Ų29.918%0.17816%0.159CC..Hα-helixtrans-61.1-54.3179.5-78171.7-1.800111.2N707 A708 G713 G714 E715 F758 F762N707-Q711 WeakPolarHBondContact O-CB 3.43Å; N707-Q711 VanDerWaalsContact O-CG 3.29Å; N707-Q711 WeakPolarHBondContact O-CG 3.42Å; N707-Q711 PolarHBondContact O-N 3.31Å; A708-Q711 PolarHBondContact O-N 3.15Å; Q711-G713 VanDerWaalsContact C-N 3.27Å; Q711-G713 PolarHBondContact O-N 3Å; Q711-G714 PolarHBondContact O-N 3.45Å; Q711-G714 VanDerWaalsContact O-N 3.16Å; Q711-E715 PolarHBondContact O-N 3.09Å; Q711-F758 PolarHBondContact NE2-O 2.88Å; Q711-F762 HydrophobicContact CB-CD2 3.87Å; Q711-F762 HydrophobicContact CB-CE2 4.18Å; Q711-F762 HydrophobicContact CG-CD2 4.03Å; Q711-F762 HydrophobicContact CG-CE2 4.28Å
712N95.8Very high94.5Very high25 Ų2530.6 Ų30.613%0.13416%0.164CC..Hα-helixtrans-64.4-36.7-179.8-63.313.8000110.5A668 I671 D672 A708 E715 C716A668-N712 WeakPolarHBondContact CB-ND2 3.33Å; A668-N712 PolarHBondContact O-ND2 3.23Å; I671-N712 HydrophobicContact CB-CB 4.15Å; I671-N712 VanDerWaalsContact CG2-C 3.4Å; I671-N712 HydrophobicContact CG2-CB 3.89Å; I671-N712 WeakPolarHBondContact CG2-O 3.47Å; D672-N712 WeakPolarHBondContact OD1-CB 3.5Å; D672-N712 PolarHBondContact OD1-ND2 3.19Å; D672-N712 PolarHBondContact OD2-ND2 3.48Å; A708-N712 WeakPolarHBondContact O-CB 3.28Å; A708-N712 VanDerWaalsContact O-CG 3.3Å; A708-N712 PolarHBondContact O-N 3.35Å; A708-N712 PolarHBondContact O-OD1 2.92Å; N712-E715 PolarHBondContact O-N 3.03Å; N712-C716 WeakPolarHBondContact O-CB 3.42Å; N712-C716 PolarHBondContact O-N 2.95Å
713G97.2Very high94.5Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-58.3-47.317300000112.7T701 T709 M710 Q711 E715 C716 L717T701-G713 VanDerWaalsContact OG1-CA 3.32Å; T701-G713 WeakPolarHBondContact OG1-CA 3.36Å; T709-G713 WeakPolarHBondContact O-CA 3.49Å; T709-G713 PolarHBondContact O-N 2.86Å; M710-G713 PolarHBondContact O-N 2.7Å; Q711-G713 VanDerWaalsContact C-N 3.27Å; Q711-G713 PolarHBondContact O-N 3Å; G713-E715 VanDerWaalsContact C-N 3.31Å; G713-E715 PolarHBondContact O-N 3.12Å; G713-C716 PolarHBondContact O-N 3.43Å; G713-L717 WeakPolarHBondContact O-CG 3.26Å; G713-L717 PolarHBondContact O-N 3.49Å
714G96.6Very high94.5Very high4 Ų424.1 Ų24.14%0.04114%0.136CC..Hα-helixtrans-59.1-41.8173.500000112.6M710 Q711 L717 R718M710-G714 PolarHBondContact O-N 3.03Å; Q711-G714 PolarHBondContact O-N 3.45Å; Q711-G714 VanDerWaalsContact O-N 3.16Å; G714-L717 PolarHBondContact O-N 3.11Å; G714-R718 PolarHBondContact O-N 2.88Å
715E96.4Very high94.5Very high31 Ų3124 Ų2415%0.14513%0.134CC..Hα-helixtrans-72.3-35.8-178.8-162.169.6156.600113.4Q711 N712 G713 R718 A719Q711-E715 PolarHBondContact O-N 3.09Å; N712-E715 PolarHBondContact O-N 3.03Å; G713-E715 VanDerWaalsContact C-N 3.31Å; G713-E715 PolarHBondContact O-N 3.12Å; E715-R718 WeakPolarHBondContact O-CB 2.98Å; E715-R718 PolarHBondContact O-N 3.4Å; E715-R718 IonicContact OE1-CZ 2.85Å; E715-R718 VanDerWaalsContact OE1-CZ 3.32Å; E715-R718 IonicContact OE1-NE 3.91Å; E715-R718 PolarHBondContact OE1-NE 3.18Å; E715-R718 IonicContact OE1-NH2 2.76Å; E715-R718 PolarHBondContact OE1-NH2 3.03Å; E715-R718 WeakPolarHBondContact OE2-CD 3.47Å; E715-R718 IonicContact OE2-CZ 3.62Å; E715-R718 IonicContact OE2-NE 3.9Å; E715-R718 PolarHBondContact OE2-NE 3.07Å; E715-R718 IonicContact OE2-NH2 3.45Å; E715-A719 PolarHBondContact O-N 3Å
716C97.8Very high94.7Very high0 Ų024.2 Ų24.20%013%0.131CC..Hα-helixtrans-61.3-45.3170.8-169.60000111.1I671 T675 V697 N712 G713 R718 A719 Y720I671-C716 HydrophobicContact CG2-CB 3.54Å; T675-C716 WeakPolarHBondContact OG1-CA 3.16Å; T675-C716 WeakPolarHBondContact OG1-CB 3.45Å; T675-C716 PolarHBondContact OG1-SG 3.02Å; V697-C716 HydrophobicContact CG2-CB 4.04Å; N712-C716 WeakPolarHBondContact O-CB 3.42Å; N712-C716 PolarHBondContact O-N 2.95Å; G713-C716 PolarHBondContact O-N 3.43Å; C716-R718 VanDerWaalsContact C-N 3.29Å; C716-R718 PolarHBondContact O-N 3.06Å; C716-A719 WeakPolarHBondContact O-CB 3.48Å; C716-A719 PolarHBondContact O-N 3.31Å; C716-A719 VanDerWaalsContact O-N 3.13Å; C716-Y720 VanDerWaalsContact O-CD2 3.32Å; C716-Y720 WeakPolarHBondContact O-CD2 3.45Å; C716-Y720 PolarHBondContact O-N 3.27Å
717L97.6Very high94.9Very high0 Ų022.9 Ų22.90%012%0.122CC..Hα-helixtrans-64.7-34.2175.4-66.7177.9000112.2F694 V697 A698 G713 G714 A719 Y720 V721 V743 V746F694-L717 HydrophobicContact CD2-CD2 3.97Å; F694-L717 HydrophobicContact CE2-CD2 3.55Å; F694-L717 HydrophobicContact CZ-CD2 4.34Å; V697-L717 HydrophobicContact CG1-CD2 4.07Å; A698-L717 HydrophobicContact CB-CD2 4.46Å; G713-L717 WeakPolarHBondContact O-CG 3.26Å; G713-L717 PolarHBondContact O-N 3.49Å; G714-L717 PolarHBondContact O-N 3.11Å; L717-A719 VanDerWaalsContact C-N 3.32Å; L717-A719 PolarHBondContact O-N 3.47Å; L717-Y720 PolarHBondContact O-N 2.86Å; L717-V721 VanDerWaalsContact O-CG2 3.31Å; L717-V721 WeakPolarHBondContact O-CG2 3.48Å; L717-V721 PolarHBondContact O-N 3.28Å; L717-V743 HydrophobicContact CD2-CG2 4.43Å; L717-V746 HydrophobicContact CD1-CB 3.74Å; L717-V746 HydrophobicContact CD1-CG1 3.74Å; L717-V746 HydrophobicContact CD1-CG2 3.68Å
718R96.8Very high94.9Very high7 Ų720.3 Ų20.33%0.02611%0.109CC..Hα-helixtrans-59.9-45171.4-176.8179.369.6100.2-18.5110.7G714 E715 C716 Y720 V721 S722 L766 T769 D991 D993G714-R718 PolarHBondContact O-N 2.88Å; E715-R718 WeakPolarHBondContact O-CB 2.98Å; E715-R718 PolarHBondContact O-N 3.4Å; E715-R718 IonicContact OE1-CZ 2.85Å; E715-R718 VanDerWaalsContact OE1-CZ 3.32Å; E715-R718 IonicContact OE1-NE 3.91Å; E715-R718 PolarHBondContact OE1-NE 3.18Å; E715-R718 IonicContact OE1-NH2 2.76Å; E715-R718 PolarHBondContact OE1-NH2 3.03Å; E715-R718 WeakPolarHBondContact OE2-CD 3.47Å; E715-R718 IonicContact OE2-CZ 3.62Å; E715-R718 IonicContact OE2-NE 3.9Å; E715-R718 PolarHBondContact OE2-NE 3.07Å; E715-R718 IonicContact OE2-NH2 3.45Å; C716-R718 VanDerWaalsContact C-N 3.29Å; C716-R718 PolarHBondContact O-N 3.06Å; R718-Y720 PolarHBondContact O-N 2.89Å; R718-V721 PolarHBondContact O-N 3.47Å; R718-S722 WeakPolarHBondContact O-CB 3.13Å; R718-S722 PolarHBondContact O-N 3.46Å; R718-L766 HydrophobicContact CB-CB 4.19Å; R718-L766 HydrophobicContact CB-CD1 3.86Å; R718-T769 HydrophobicContact CG-CG2 4.22Å; R718-D991 IonicContact CZ-OD1 3.02Å; R718-D991 IonicContact CZ-OD2 2.71Å; R718-D991 IonicContact NH1-OD1 3.56Å; R718-D991 PolarHBondContact NH1-OD1 3.39Å; R718-D991 IonicContact NH1-OD2 3.26Å; R718-D991 PolarHBondContact NH1-OD2 3.5Å; R718-D991 IonicContact NH2-OD1 2.76Å; R718-D991 PolarHBondContact NH2-OD1 3.37Å; R718-D991 IonicContact NH2-OD2 3.3Å; R718-D991 PolarHBondContact NH2-OD2 2.98Å; R718-D993 IonicContact CZ-OD2 3.42Å; R718-D993 IonicContact NH1-OD2 3.69Å; R718-D993 PolarHBondContact NH1-OD2 3.39Å
719A96.9Very high94.9Very high0 Ų019.5 Ų19.50%010%0.102CC..Hα-helixtrans-59.3-45.3175.900000111.9T675 V678 R679 E715 C716 L717 V721 S722 V723T675-A719 HydrophobicContact CG2-CB 3.92Å; V678-A719 HydrophobicContact CG1-CB 3.98Å; R679-A719 HydrophobicContact CG-CB 3.76Å; E715-A719 PolarHBondContact O-N 3Å; C716-A719 WeakPolarHBondContact O-CB 3.48Å; C716-A719 PolarHBondContact O-N 3.31Å; C716-A719 VanDerWaalsContact O-N 3.13Å; L717-A719 VanDerWaalsContact C-N 3.32Å; L717-A719 PolarHBondContact O-N 3.47Å; A719-V721 PolarHBondContact O-N 2.97Å; A719-S722 PolarHBondContact O-N 3.39Å; A719-V723 VanDerWaalsContact O-CB 3.27Å; A719-V723 WeakPolarHBondContact O-CB 3.24Å; A719-V723 VanDerWaalsContact O-CG2 3.24Å; A719-V723 WeakPolarHBondContact O-CG2 3.41Å; A719-V723 PolarHBondContact O-N 3.39Å
720Y97.5Very high94.8Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-59.1-45174.9-86.3-79.3000112.9L674 V678 L685 L689 I690 F694 V697 C716 L717 R718 T724 V728L674-Y720 HydrophobicContact CD2-CE2 4.49Å; V678-Y720 HydrophobicContact CG1-CD1 4.38Å; V678-Y720 HydrophobicContact CG1-CD2 4.43Å; V678-Y720 HydrophobicContact CG1-CG 4.3Å; V678-Y720 HydrophobicContact CG2-CD2 4.27Å; V678-Y720 HydrophobicContact CG2-CE1 4.03Å; V678-Y720 HydrophobicContact CG2-CE2 3.69Å; L685-Y720 HydrophobicContact CD1-CD1 3.98Å; L685-Y720 HydrophobicContact CD1-CE1 3.87Å; L689-Y720 PolarHBondContact O-OH 3.39Å; I690-Y720 HydrophobicContact CD1-CD1 4.4Å; I690-Y720 HydrophobicContact CD1-CE1 4.23Å; F694-Y720 HydrophobicContact CB-CD1 4.48Å; F694-Y720 HydrophobicContact CB-CE1 3.95Å; F694-Y720 HydrophobicContact CB-CE2 4.45Å; F694-Y720 AromaticContact CD2-CD1 3.97Å; F694-Y720 HydrophobicContact CD2-CD1 3.97Å; F694-Y720 HydrophobicContact CD2-CD2 4.05Å; F694-Y720 HydrophobicContact CD2-CE1 4.26Å; F694-Y720 HydrophobicContact CD2-CE2 4.35Å; F694-Y720 AromaticContact CD2-CG 3.86Å; F694-Y720 HydrophobicContact CD2-CG 3.86Å; F694-Y720 PolarHBondContact N-OH 3.01Å; V697-Y720 HydrophobicContact CG1-CE2 4.37Å; C716-Y720 VanDerWaalsContact O-CD2 3.32Å; C716-Y720 WeakPolarHBondContact O-CD2 3.45Å; C716-Y720 PolarHBondContact O-N 3.27Å; L717-Y720 PolarHBondContact O-N 2.86Å; R718-Y720 PolarHBondContact O-N 2.89Å; Y720-T724 HydrophobicContact CD1-CG2 4.48Å; Y720-T724 CarbonylContact O-C 3.57Å; Y720-T724 PolarHBondContact O-N 3.43Å; Y720-V728 HydrophobicContact CD1-CG2 4.21Å
721V95Very high94.7Very high1 Ų127.2 Ų27.21%0.00614%0.137CC..Hα-helixtrans-65.1-42.7177.9171.50000111.1L717 R718 A719 L725 V743 T769 L770 K773L717-V721 VanDerWaalsContact O-CG2 3.31Å; L717-V721 WeakPolarHBondContact O-CG2 3.48Å; L717-V721 PolarHBondContact O-N 3.28Å; R718-V721 PolarHBondContact O-N 3.47Å; A719-V721 PolarHBondContact O-N 2.97Å; V721-L725 HydrophobicContact CG1-CD1 4.4Å; V721-L725 PolarHBondContact O-N 3.13Å; V721-V743 HydrophobicContact CG2-CG1 4.24Å; V721-V743 HydrophobicContact CG2-CG2 4.22Å; V721-T769 HydrophobicContact CG1-CG2 4.02Å; V721-L770 HydrophobicContact CB-CD2 4.5Å; V721-L770 HydrophobicContact CG1-CD2 3.83Å; V721-L770 HydrophobicContact CG1-CG 4.19Å; V721-L770 HydrophobicContact CG2-CD2 3.84Å; V721-L770 HydrophobicContact CG2-CG 4.44Å; V721-K773 HydrophobicContact CG1-CB 4.4Å
722S94.4Very high94.6Very high16 Ų1630.4 Ų30.411%0.11215%0.151CC..Hα-helixtrans-67-44.7-179.4-177.40000112.2R718 A719 D993R718-S722 WeakPolarHBondContact O-CB 3.13Å; R718-S722 PolarHBondContact O-N 3.46Å; A719-S722 PolarHBondContact O-N 3.39Å; S722-D993 WeakPolarHBondContact CB-OD1 3.19Å; S722-D993 WeakPolarHBondContact CB-OD2 3.28Å; S722-D993 PolarHBondContact OG-OD1 3.28Å; S722-D993 PolarHBondContact OG-OD2 2.85Å
723V94.4Very high94.4Very high36 Ų3630.5 Ų30.522%0.21815%0.152CC..Hα-helixtrans-82-41.1-173.6176.20000112.3V678 P683 L685 A719V678-V723 HydrophobicContact CG1-CB 4.5Å; V678-V723 HydrophobicContact CG1-CG2 4.47Å; P683-V723 HydrophobicContact CG-CG1 3.67Å; L685-V723 HydrophobicContact CD2-CG1 4.25Å; A719-V723 VanDerWaalsContact O-CB 3.27Å; A719-V723 WeakPolarHBondContact O-CB 3.24Å; A719-V723 VanDerWaalsContact O-CG2 3.24Å; A719-V723 WeakPolarHBondContact O-CG2 3.41Å; A719-V723 PolarHBondContact O-N 3.39Å
724T92.7Very high93.9Very high11 Ų1140.5 Ų40.57%0.06720%0.199CC..Hα-helixtrans-150.757-172.3-165.40000115.4L685 I690 Y720 E726 Q727 V728L685-T724 HydrophobicContact CB-CG2 4.36Å; L685-T724 HydrophobicContact CD1-CG2 3.39Å; L685-T724 HydrophobicContact CG-CG2 3.7Å; I690-T724 HydrophobicContact CD1-CG2 4.02Å; Y720-T724 HydrophobicContact CD1-CG2 4.48Å; Y720-T724 CarbonylContact O-C 3.57Å; Y720-T724 PolarHBondContact O-N 3.43Å; T724-E726 PolarHBondContact O-N 2.98Å; T724-Q727 HydrophobicContact CG2-CB 4.25Å; T724-Q727 PolarHBondContact O-N 2.92Å; T724-Q727 VanDerWaalsContact OG1-CB 3.25Å; T724-Q727 WeakPolarHBondContact OG1-CB 3.39Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.04Å; T724-Q727 PolarHBondContact OG1-OE1 3.38Å; T724-V728 HydrophobicContact CG2-CG2 4.35Å; T724-V728 WeakPolarHBondContact O-CG2 3.4Å; T724-V728 PolarHBondContact O-N 3.43Å; T724-V728 VanDerWaalsContact O-N 3.15Å
725L91.7Very high93.5Very high26 Ų2647.8 Ų47.814%0.13623%0.231CC..Hα-helixtrans-51-41.9174.7178.461.7000113.1V721 Q727 V728 A729 L740 K773 A774V721-L725 HydrophobicContact CG1-CD1 4.4Å; V721-L725 PolarHBondContact O-N 3.13Å; L725-Q727 PolarHBondContact O-N 2.91Å; L725-V728 PolarHBondContact O-N 3.3Å; L725-A729 VanDerWaalsContact O-CB 3.31Å; L725-A729 WeakPolarHBondContact O-CB 3.33Å; L725-A729 PolarHBondContact O-N 3.03Å; L725-L740 HydrophobicContact CD1-CD1 4.36Å; L725-K773 HydrophobicContact CD2-CB 3.76Å; L725-K773 VanDerWaalsContact CD2-O 3.31Å; L725-K773 WeakPolarHBondContact CD2-O 3.5Å; L725-A774 HydrophobicContact CD1-CB 4.25Å; L725-A774 HydrophobicContact CD2-CB 3.72Å
726E91.5Very high93.2Very high148 Ų14848.6 Ų48.669%0.69225%0.248SC*.Hα-helixtrans-62.7-42.8-178-65.5-177-177.700112.7T724 A729 Q730T724-E726 PolarHBondContact O-N 2.98Å; E726-A729 PolarHBondContact O-N 2.82Å; E726-Q730 WeakPolarHBondContact O-CB 3.27Å; E726-Q730 WeakPolarHBondContact O-CG 3.42Å; E726-Q730 PolarHBondContact O-N 2.91Å
727Q94.4Very high92.9Very high34 Ų3451.1 Ų51.116%0.15926%0.26CS..Hα-helixtrans-69.8-38.3178.4-65.9179.7-97.600111.4L685 I690 T724 L725 Q730 W731L685-Q727 PolarHBondContact O-NE2 2.9Å; I690-Q727 HydrophobicContact CD1-CB 3.91Å; I690-Q727 HydrophobicContact CG1-CB 4.31Å; T724-Q727 HydrophobicContact CG2-CB 4.25Å; T724-Q727 PolarHBondContact O-N 2.92Å; T724-Q727 VanDerWaalsContact OG1-CB 3.25Å; T724-Q727 WeakPolarHBondContact OG1-CB 3.39Å; T724-Q727 WeakPolarHBondContact OG1-CG 3.04Å; T724-Q727 PolarHBondContact OG1-OE1 3.38Å; L725-Q727 PolarHBondContact O-N 2.91Å; Q727-Q730 PolarHBondContact O-N 3.49Å; Q727-W731 PolarHBondContact O-N 3.17Å
728V92.3Very high92.6Very high1 Ų153.2 Ų53.21%0.00627%0.271CS..Hα-helixtrans-64-43.4176.31740000110.7F694 Y720 T724 L725 Q730 W731 G739F694-V728 HydrophobicContact CD2-CG2 4.39Å; F694-V728 HydrophobicContact CE1-CG1 4.37Å; F694-V728 HydrophobicContact CE2-CG1 3.75Å; F694-V728 HydrophobicContact CE2-CG2 4.23Å; F694-V728 HydrophobicContact CZ-CG1 3.64Å; Y720-V728 HydrophobicContact CD1-CG2 4.21Å; T724-V728 HydrophobicContact CG2-CG2 4.35Å; T724-V728 WeakPolarHBondContact O-CG2 3.4Å; T724-V728 PolarHBondContact O-N 3.43Å; T724-V728 VanDerWaalsContact O-N 3.15Å; L725-V728 PolarHBondContact O-N 3.3Å; V728-Q730 VanDerWaalsContact C-N 3.32Å; V728-Q730 PolarHBondContact O-N 3.25Å; V728-W731 PolarHBondContact O-N 3.11Å; V728-G739 WeakPolarHBondContact O-CA 3.46Å; V728-G739 PolarHBondContact O-N 3.1Å; V728-G739 VanDerWaalsContact O-N 3.1Å
729A90.9Very high92.4Very high20 Ų2052.9 Ų52.917%0.16527%0.27CS..Hα-helixtrans-68-30.8178.200000113L725 E726L725-A729 VanDerWaalsContact O-CB 3.31Å; L725-A729 WeakPolarHBondContact O-CB 3.33Å; L725-A729 PolarHBondContact O-N 3.03Å; E726-A729 PolarHBondContact O-N 2.82Å
730Q91.6Very high92.1Very high141 Ų14153.6 Ų53.666%0.65927%0.273SS*.Hα-helixtrans-80.7-26.3177.6-73.3172.821.600113.8E726 Q727 V728 H732E726-Q730 WeakPolarHBondContact O-CB 3.27Å; E726-Q730 WeakPolarHBondContact O-CG 3.42Å; E726-Q730 PolarHBondContact O-N 2.91Å; Q727-Q730 PolarHBondContact O-N 3.49Å; V728-Q730 VanDerWaalsContact C-N 3.32Å; V728-Q730 PolarHBondContact O-N 3.25Å; Q730-H732 PolarHBondContact O-CE1 3.35Å; Q730-H732 PolarHBondContact O-ND1 3.24Å
731W93.2Very high91.8Very high33 Ų3357.9 Ų57.913%0.12529%0.29CS..  trans-68.2136.6176.6178.684.9000110.6I690 F694 P695 Q727 V728 D733 N738 G739 Y742I690-W731 HydrophobicContact CG2-CB 3.88Å; I690-W731 HydrophobicContact CG2-CG 4.02Å; F694-W731 HydrophobicContact CD1-CD2 4.44Å; F694-W731 HydrophobicContact CD1-CE3 4.08Å; F694-W731 HydrophobicContact CD1-CZ3 4.25Å; F694-W731 AromaticContact CE1-CE3 3.9Å; F694-W731 HydrophobicContact CE1-CE3 3.9Å; F694-W731 AromaticContact CE1-CZ3 3.99Å; F694-W731 HydrophobicContact CE1-CZ3 3.99Å; P695-W731 HydrophobicContact CB-CH2 3.77Å; P695-W731 HydrophobicContact CB-CZ2 3.77Å; P695-W731 HydrophobicContact CG-CH2 4.38Å; P695-W731 HydrophobicContact CG-CZ2 3.89Å; Q727-W731 PolarHBondContact O-N 3.17Å; V728-W731 PolarHBondContact O-N 3.11Å; W731-D733 HydrophobicContact CH2-CB 3.82Å; W731-D733 HydrophobicContact CZ2-CB 4.32Å; W731-D733 HydrophobicContact CZ3-CB 4.38Å; W731-N738 CarbonylContact O-C 3.58Å; W731-N738 WeakPolarHBondContact O-CA 3.33Å; W731-N738 WeakPolarHBondContact O-CB 3.41Å; W731-G739 PolarHBondContact O-N 3.48Å; W731-Y742 HydrophobicContact CH2-CD2 4.34Å; W731-Y742 AromaticContact CH2-CE2 3.98Å; W731-Y742 HydrophobicContact CH2-CE2 3.98Å; W731-Y742 AromaticContact CZ3-CD2 3.69Å; W731-Y742 HydrophobicContact CZ3-CD2 3.69Å; W731-Y742 AromaticContact CZ3-CE2 3.71Å; W731-Y742 HydrophobicContact CZ3-CE2 3.71Å
732H92.9Very high91.8Very high104 Ų10458.6 Ų58.648%0.48129%0.292SS..BIsolated β-bridgetrans-132.4142.4177.1-6772.4000110.2Q730 G736 H737Q730-H732 PolarHBondContact O-CE1 3.35Å; Q730-H732 PolarHBondContact O-ND1 3.24Å; H732-G736 PolarHBondContact CD2-O 2.88Å; H732-H737 CarbonylContact C-O 3.59Å; H732-H737 VanDerWaalsContact CA-O 3.28Å; H732-H737 WeakPolarHBondContact CA-O 3.49Å
733D91Very high91.8Very high28 Ų2857.9 Ų57.915%0.1529%0.287CS..  trans-78.2177.3169.4747.5000112.2W731 Q735 G736 H737 Y742W731-D733 HydrophobicContact CH2-CB 3.82Å; W731-D733 HydrophobicContact CZ2-CB 4.32Å; W731-D733 HydrophobicContact CZ3-CB 4.38Å; D733-Q735 PolarHBondContact O-N 3.33Å; D733-Q735 VanDerWaalsContact OD1-C 3.32Å; D733-Q735 VanDerWaalsContact OD1-CA 3.31Å; D733-Q735 WeakPolarHBondContact OD1-CA 3.39Å; D733-Q735 WeakPolarHBondContact OD1-CB 3.47Å; D733-Q735 PolarHBondContact OD1-N 3.37Å; D733-G736 PolarHBondContact O-N 3.28Å; D733-G736 VanDerWaalsContact O-N 3.1Å; D733-G736 PolarHBondContact OD1-N 3.33Å; D733-H737 PolarHBondContact N-O 3.45Å; D733-H737 IonicContact OD1-CG 2.62Å; D733-H737 PolarHBondContact OD1-N 3.21Å; D733-H737 IonicContact OD1-ND1 3.59Å; D733-H737 IonicContact OD2-CG 3.13Å; D733-H737 IonicContact OD2-ND1 2.76Å; D733-H737 PolarHBondContact OD2-ND1 3.36Å; D733-Y742 HydrophobicContact CB-CE2 4.26Å; D733-Y742 WeakPolarHBondContact OD2-CE2 3.23Å; D733-Y742 PolarHBondContact OD2-OH 2.85Å
734E86.7Confident91.8Very high210 Ų21056.9 Ų56.998%0.98128%0.28SS*.THydrogen-bonded Turntrans-63.6-19.2178.2-62-173.2164.800113.6
735Q88Confident91.9Very high156 Ų15659.7 Ų59.773%0.72929%0.293SS*.THydrogen-bonded Turntrans-91-7.9178.8-58.5-176.94.600112.4D733 H737D733-Q735 PolarHBondContact O-N 3.33Å; D733-Q735 VanDerWaalsContact OD1-C 3.32Å; D733-Q735 VanDerWaalsContact OD1-CA 3.31Å; D733-Q735 WeakPolarHBondContact OD1-CA 3.39Å; D733-Q735 WeakPolarHBondContact OD1-CB 3.47Å; D733-Q735 PolarHBondContact OD1-N 3.37Å; Q735-H737 PolarHBondContact OE1-CE1 3.32Å; Q735-H737 VanDerWaalsContact OE1-CE1 3.28Å
736G89.3Confident92Very high48 Ų4858.5 Ų58.550%0.49529%0.286SS..SBendtrans87.411.7-178.800000114.3H732 D733H732-G736 PolarHBondContact CD2-O 2.88Å; D733-G736 PolarHBondContact O-N 3.28Å; D733-G736 VanDerWaalsContact O-N 3.1Å; D733-G736 PolarHBondContact OD1-N 3.33Å
737H91.5Very high92.2Very high53 Ų5351.4 Ų51.425%0.24525%0.253CS..  trans-77.4131.6170.5-54.2125.2000109.8H732 D733 Q735 W741 Y742H732-H737 CarbonylContact C-O 3.59Å; H732-H737 VanDerWaalsContact CA-O 3.28Å; H732-H737 WeakPolarHBondContact CA-O 3.49Å; D733-H737 PolarHBondContact N-O 3.45Å; D733-H737 IonicContact OD1-CG 2.62Å; D733-H737 PolarHBondContact OD1-N 3.21Å; D733-H737 IonicContact OD1-ND1 3.59Å; D733-H737 IonicContact OD2-CG 3.13Å; D733-H737 IonicContact OD2-ND1 2.76Å; D733-H737 PolarHBondContact OD2-ND1 3.36Å; Q735-H737 PolarHBondContact OE1-CE1 3.32Å; Q735-H737 VanDerWaalsContact OE1-CE1 3.28Å; H737-W741 HydrophobicContact CB-CB 4.37Å; H737-W741 HydrophobicContact CB-CD2 3.88Å; H737-W741 HydrophobicContact CB-CE3 3.73Å; H737-W741 HydrophobicContact CB-CG 4.16Å; H737-W741 HydrophobicContact CB-CZ3 4.35Å; H737-W741 AromaticContact CD2-CE2 3.88Å; H737-W741 AromaticContact CG-CD2 3.92Å; H737-W741 AromaticContact CG-CE3 3.93Å; H737-Y742 HydrophobicContact CB-CE2 4.06Å
738N91.9Very high92.2Very high45 Ų4552.6 Ų52.624%0.24127%0.266CS..BIsolated β-bridgetrans-84.2169.7177.373-5.8000112.3W731 L740 W741 Y742W731-N738 CarbonylContact O-C 3.58Å; W731-N738 WeakPolarHBondContact O-CA 3.33Å; W731-N738 WeakPolarHBondContact O-CB 3.41Å; N738-L740 VanDerWaalsContact C-N 3.29Å; N738-L740 PolarHBondContact O-N 2.99Å; N738-W741 VanDerWaalsContact O-CB 3.32Å; N738-W741 WeakPolarHBondContact O-CB 3.35Å; N738-W741 PolarHBondContact O-N 2.79Å; N738-W741 VanDerWaalsContact OD1-CB 3.32Å; N738-W741 WeakPolarHBondContact OD1-CB 3.48Å; N738-W741 PolarHBondContact OD1-N 2.81Å; N738-Y742 PolarHBondContact O-N 3.02Å
739G91.9Very high92.3Very high0 Ų055.1 Ų55.10%028%0.277CS..Hα-helixtrans-63.1-34.2179.600000113.4V728 W731 W741 Y742 V743V728-G739 WeakPolarHBondContact O-CA 3.46Å; V728-G739 PolarHBondContact O-N 3.1Å; V728-G739 VanDerWaalsContact O-N 3.1Å; W731-G739 PolarHBondContact O-N 3.48Å; G739-W741 VanDerWaalsContact C-N 3.28Å; G739-W741 PolarHBondContact O-N 3.23Å; G739-Y742 WeakPolarHBondContact O-CB 3.38Å; G739-Y742 PolarHBondContact O-N 2.98Å; G739-Y742 VanDerWaalsContact O-N 3.15Å; G739-V743 WeakPolarHBondContact O-CG2 3.24Å; G739-V743 PolarHBondContact O-N 3.19Å; G739-V743 VanDerWaalsContact O-N 3.11Å
740L91.3Very high92.5Very high14 Ų1454.3 Ų54.37%0.07327%0.27CS..Hα-helixtrans-62.1-37.2176.1-171.964.4000111.6L725 N738 Y742 V743 M744 L770 E777L725-L740 HydrophobicContact CD1-CD1 4.36Å; N738-L740 VanDerWaalsContact C-N 3.29Å; N738-L740 PolarHBondContact O-N 2.99Å; L740-Y742 VanDerWaalsContact C-N 3.33Å; L740-Y742 PolarHBondContact O-N 2.9Å; L740-V743 PolarHBondContact O-N 3.08Å; L740-M744 HydrophobicContact CD1-CE 4.19Å; L740-M744 WeakPolarHBondContact O-CG 3.16Å; L740-M744 PolarHBondContact O-N 3.18Å; L740-L770 HydrophobicContact CD1-CD2 3.95Å; L740-E777 HydrophobicContact CD2-CB 4.33Å
741W92.4Very high92.6Very high91 Ų9147.6 Ų47.635%0.34524%0.239SC..Hα-helixtrans-58.2-44.4174.3-17993.5000111.7H737 N738 G739 M744 Q745H737-W741 HydrophobicContact CB-CB 4.37Å; H737-W741 HydrophobicContact CB-CD2 3.88Å; H737-W741 HydrophobicContact CB-CE3 3.73Å; H737-W741 HydrophobicContact CB-CG 4.16Å; H737-W741 HydrophobicContact CB-CZ3 4.35Å; H737-W741 AromaticContact CD2-CE2 3.88Å; H737-W741 AromaticContact CG-CD2 3.92Å; H737-W741 AromaticContact CG-CE3 3.93Å; N738-W741 VanDerWaalsContact O-CB 3.32Å; N738-W741 WeakPolarHBondContact O-CB 3.35Å; N738-W741 PolarHBondContact O-N 2.79Å; N738-W741 VanDerWaalsContact OD1-CB 3.32Å; N738-W741 WeakPolarHBondContact OD1-CB 3.48Å; N738-W741 PolarHBondContact OD1-N 2.81Å; G739-W741 VanDerWaalsContact C-N 3.28Å; G739-W741 PolarHBondContact O-N 3.23Å; W741-M744 WeakPolarHBondContact O-CB 3.41Å; W741-M744 PolarHBondContact O-N 3.36Å; W741-Q745 HydrophobicContact CD2-CG 3.98Å; W741-Q745 HydrophobicContact CE3-CG 3.82Å; W741-Q745 HydrophobicContact CH2-CG 3.54Å; W741-Q745 HydrophobicContact CZ2-CG 3.71Å; W741-Q745 HydrophobicContact CZ3-CG 3.59Å; W741-Q745 WeakPolarHBondContact O-CG 3.22Å; W741-Q745 PolarHBondContact O-N 2.95Å
742Y94Very high92.5Very high16 Ų1647 Ų476%0.06324%0.238CC..Hα-helixtrans-63.3-41.9176.7-84.1-78000112.6A698 Q699 L702 W731 D733 H737 N738 G739 L740 M744 Q745 V746A698-Y742 HydrophobicContact CB-CD1 4.08Å; A698-Y742 HydrophobicContact CB-CG 4.31Å; Q699-Y742 PolarHBondContact NE2-OH 3.5Å; L702-Y742 HydrophobicContact CD1-CD1 4.19Å; W731-Y742 HydrophobicContact CH2-CD2 4.34Å; W731-Y742 AromaticContact CH2-CE2 3.98Å; W731-Y742 HydrophobicContact CH2-CE2 3.98Å; W731-Y742 AromaticContact CZ3-CD2 3.69Å; W731-Y742 HydrophobicContact CZ3-CD2 3.69Å; W731-Y742 AromaticContact CZ3-CE2 3.71Å; W731-Y742 HydrophobicContact CZ3-CE2 3.71Å; D733-Y742 HydrophobicContact CB-CE2 4.26Å; D733-Y742 WeakPolarHBondContact OD2-CE2 3.23Å; D733-Y742 PolarHBondContact OD2-OH 2.85Å; H737-Y742 HydrophobicContact CB-CE2 4.06Å; N738-Y742 PolarHBondContact O-N 3.02Å; G739-Y742 WeakPolarHBondContact O-CB 3.38Å; G739-Y742 PolarHBondContact O-N 2.98Å; G739-Y742 VanDerWaalsContact O-N 3.15Å; L740-Y742 VanDerWaalsContact C-N 3.33Å; L740-Y742 PolarHBondContact O-N 2.9Å; Y742-M744 VanDerWaalsContact C-N 3.28Å; Y742-M744 PolarHBondContact O-N 3.44Å; Y742-Q745 PolarHBondContact O-N 2.89Å; Y742-V746 PolarHBondContact O-N 2.88Å
743V94.8Very high92.3Very high0 Ų044.1 Ų44.10%023%0.228CC..Hα-helixtrans-60.8-40.9175.1-1790000110.6F694 L717 V721 G739 L740 Q745 V746 V747 L766 L770F694-V743 HydrophobicContact CE2-CG2 4.25Å; F694-V743 HydrophobicContact CZ-CG2 4.19Å; L717-V743 HydrophobicContact CD2-CG2 4.43Å; V721-V743 HydrophobicContact CG2-CG1 4.24Å; V721-V743 HydrophobicContact CG2-CG2 4.22Å; G739-V743 WeakPolarHBondContact O-CG2 3.24Å; G739-V743 PolarHBondContact O-N 3.19Å; G739-V743 VanDerWaalsContact O-N 3.11Å; L740-V743 PolarHBondContact O-N 3.08Å; V743-Q745 PolarHBondContact O-N 3.1Å; V743-V746 PolarHBondContact O-N 3.23Å; V743-V747 HydrophobicContact CG1-CG2 4.45Å; V743-V747 WeakPolarHBondContact O-CG2 3.4Å; V743-V747 PolarHBondContact O-N 3.3Å; V743-L766 HydrophobicContact CG1-CD1 4.22Å; V743-L770 HydrophobicContact CG1-CD1 3.75Å; V743-L770 HydrophobicContact CG1-CD2 3.93Å; V743-L770 HydrophobicContact CG1-CG 4.31Å
744M93.3Very high92.2Very high15 Ų1552.9 Ų52.97%0.07426%0.259CS..Hα-helixtrans-64.4-37.9175.6-64.8-58.496.400112.9L740 W741 Y742 V746 S748 L770 L778 N781 I785L740-M744 HydrophobicContact CD1-CE 4.19Å; L740-M744 WeakPolarHBondContact O-CG 3.16Å; L740-M744 PolarHBondContact O-N 3.18Å; W741-M744 WeakPolarHBondContact O-CB 3.41Å; W741-M744 PolarHBondContact O-N 3.36Å; Y742-M744 VanDerWaalsContact C-N 3.28Å; Y742-M744 PolarHBondContact O-N 3.44Å; M744-V746 VanDerWaalsContact C-N 3.34Å; M744-S748 WeakPolarHBondContact O-CB 3.28Å; M744-S748 PolarHBondContact O-N 2.93Å; M744-S748 PolarHBondContact O-OG 3.31Å; M744-L770 HydrophobicContact CE-CD1 3.63Å; M744-L770 HydrophobicContact CE-CD2 3.83Å; M744-L770 HydrophobicContact CE-CG 4.3Å; M744-L778 HydrophobicContact CE-CD2 3.8Å; M744-L778 HydrophobicContact SD-CD2 3.61Å; M744-N781 HydrophobicContact SD-CB 4.28Å; M744-I785 HydrophobicContact CE-CD1 4.47Å; M744-I785 HydrophobicContact SD-CD1 3.83Å
745Q94.5Very high92.2Very high71 Ų7144.5 Ų44.533%0.33222%0.222SC..Hα-helixtrans-63.1-43.2174.9-65.2-49.8-59.800111L702 W741 Y742 V743 S748 Q749L702-Q745 HydrophobicContact CD1-CB 4.05Å; L702-Q745 HydrophobicContact CD2-CB 3.78Å; W741-Q745 HydrophobicContact CD2-CG 3.98Å; W741-Q745 HydrophobicContact CE3-CG 3.82Å; W741-Q745 HydrophobicContact CH2-CG 3.54Å; W741-Q745 HydrophobicContact CZ2-CG 3.71Å; W741-Q745 HydrophobicContact CZ3-CG 3.59Å; W741-Q745 WeakPolarHBondContact O-CG 3.22Å; W741-Q745 PolarHBondContact O-N 2.95Å; Y742-Q745 PolarHBondContact O-N 2.89Å; V743-Q745 PolarHBondContact O-N 3.1Å; Q745-S748 WeakPolarHBondContact O-CB 3.48Å; Q745-S748 PolarHBondContact O-N 2.91Å; Q745-Q749 PolarHBondContact O-N 3.37Å
746V95.4Very high92.3Very high0 Ų039 Ų390%020%0.201CC..Hα-helixtrans-65.4-45.8178.3169.90000111.1T701 L702 L717 Y742 V743 M744 S748 Q749 L750T701-V746 HydrophobicContact CG2-CB 4.48Å; T701-V746 HydrophobicContact CG2-CG1 3.56Å; T701-V746 HydrophobicContact CG2-CG2 4.1Å; L702-V746 HydrophobicContact CD1-CG2 4.4Å; L702-V746 HydrophobicContact CD2-CB 4.48Å; L702-V746 HydrophobicContact CD2-CG2 3.76Å; L702-V746 HydrophobicContact CG-CG2 3.74Å; L717-V746 HydrophobicContact CD1-CB 3.74Å; L717-V746 HydrophobicContact CD1-CG1 3.74Å; L717-V746 HydrophobicContact CD1-CG2 3.68Å; Y742-V746 PolarHBondContact O-N 2.88Å; V743-V746 PolarHBondContact O-N 3.23Å; M744-V746 VanDerWaalsContact C-N 3.34Å; V746-S748 PolarHBondContact O-N 3.08Å; V746-Q749 PolarHBondContact O-N 3.04Å; V746-Q749 VanDerWaalsContact O-N 3.08Å; V746-L750 HydrophobicContact CG1-CD1 3.76Å; V746-L750 HydrophobicContact CG1-CG 4.02Å; V746-L750 VanDerWaalsContact O-CG 3.31Å; V746-L750 WeakPolarHBondContact O-CG 3.44Å; V746-L750 PolarHBondContact O-N 2.9Å
747V95.3Very high92.3Very high0 Ų038.7 Ų38.70%019%0.187CC..Hα-helixtrans-55.6-43174.41700000110.9V743 Q749 L750 L751 L766 V767 L770 I785V743-V747 HydrophobicContact CG1-CG2 4.45Å; V743-V747 WeakPolarHBondContact O-CG2 3.4Å; V743-V747 PolarHBondContact O-N 3.3Å; V747-Q749 PolarHBondContact O-N 3.17Å; V747-L750 PolarHBondContact O-N 3.35Å; V747-L751 HydrophobicContact CG1-CD1 3.7Å; V747-L751 WeakPolarHBondContact O-CB 3.44Å; V747-L751 VanDerWaalsContact O-CG 3.3Å; V747-L751 WeakPolarHBondContact O-CG 3.19Å; V747-L751 PolarHBondContact O-N 3.43Å; V747-L766 HydrophobicContact CG2-CD2 3.65Å; V747-L766 HydrophobicContact CG2-CG 4.07Å; V747-V767 HydrophobicContact CG1-CG2 3.87Å; V747-V767 HydrophobicContact CG2-CG2 4.44Å; V747-L770 HydrophobicContact CG2-CD1 3.82Å; V747-I785 HydrophobicContact CG1-CD1 4.35Å; V747-I785 HydrophobicContact CG1-CG1 3.99Å; V747-I785 HydrophobicContact CG1-CG2 4.09Å
748S94.3Very high92.3Very high59 Ų5940.6 Ų40.641%0.41320%0.195SC..Hα-helixtrans-64.8-37.8177.9-57.40000112.6M744 Q745 V746 D752M744-S748 WeakPolarHBondContact O-CB 3.28Å; M744-S748 PolarHBondContact O-N 2.93Å; M744-S748 PolarHBondContact O-OG 3.31Å; Q745-S748 WeakPolarHBondContact O-CB 3.48Å; Q745-S748 PolarHBondContact O-N 2.91Å; V746-S748 PolarHBondContact O-N 3.08Å; S748-D752 PolarHBondContact O-N 3.07Å; S748-D752 VanDerWaalsContact O-N 3.14Å
749Q93.9Very high92.2Very high54 Ų5438.5 Ų38.525%0.25218%0.183SC..Hα-helixtrans-70.4-43.3177.2-178.263.815.100112.3L702 Q745 V746 V747 L751 D752L702-Q749 HydrophobicContact CD2-CB 4.14Å; Q745-Q749 PolarHBondContact O-N 3.37Å; V746-Q749 PolarHBondContact O-N 3.04Å; V746-Q749 VanDerWaalsContact O-N 3.08Å; V747-Q749 PolarHBondContact O-N 3.17Å; Q749-L751 VanDerWaalsContact C-N 3.25Å; Q749-L751 PolarHBondContact O-N 3.31Å; Q749-D752 WeakPolarHBondContact O-CB 3.43Å; Q749-D752 PolarHBondContact O-N 3.24Å
750L94.5Very high92.1Very high2 Ų238.5 Ų38.51%0.0118%0.183CC..Hα-helixtrans-65.4-31178-66.1177.3000112.1M710 V746 V747 T759 V763M710-L750 HydrophobicContact CB-CD2 3.75Å; M710-L750 HydrophobicContact CG-CD2 4.49Å; V746-L750 HydrophobicContact CG1-CD1 3.76Å; V746-L750 HydrophobicContact CG1-CG 4.02Å; V746-L750 VanDerWaalsContact O-CG 3.31Å; V746-L750 WeakPolarHBondContact O-CG 3.44Å; V746-L750 PolarHBondContact O-N 2.9Å; V747-L750 PolarHBondContact O-N 3.35Å; L750-T759 PolarHBondContact O-OG1 2.96Å; L750-V763 HydrophobicContact CB-CB 4.3Å; L750-V763 HydrophobicContact CB-CG2 3.82Å; L750-V763 HydrophobicContact CD1-CB 4.37Å; L750-V763 HydrophobicContact CD1-CG2 3.93Å
751L94.4Very high92.1Very high1 Ų138.6 Ų38.61%0.00519%0.186CC..THydrogen-bonded Turntrans-92.73.6177-65.5171.5000113.9V747 Q749 P753 V763 I785 A788 I789 L805V747-L751 HydrophobicContact CG1-CD1 3.7Å; V747-L751 WeakPolarHBondContact O-CB 3.44Å; V747-L751 VanDerWaalsContact O-CG 3.3Å; V747-L751 WeakPolarHBondContact O-CG 3.19Å; V747-L751 PolarHBondContact O-N 3.43Å; Q749-L751 VanDerWaalsContact C-N 3.25Å; Q749-L751 PolarHBondContact O-N 3.31Å; L751-P753 WeakPolarHBondContact O-CD 3.19Å; L751-V763 HydrophobicContact CD2-CG1 3.61Å; L751-V763 HydrophobicContact CD2-CG2 4.32Å; L751-V763 HydrophobicContact CG-CG1 4.33Å; L751-V763 HydrophobicContact CG-CG2 4.14Å; L751-I785 HydrophobicContact CD1-CG2 4.11Å; L751-A788 HydrophobicContact CB-CB 3.76Å; L751-A788 HydrophobicContact CD1-CB 3.97Å; L751-A788 HydrophobicContact CG-CB 4.5Å; L751-I789 HydrophobicContact CD1-CG1 3.74Å; L751-I789 HydrophobicContact CD2-CG1 3.8Å; L751-I789 HydrophobicContact CG-CG1 4.45Å; L751-L805 HydrophobicContact CD2-CD2 3.63Å
752D92.3Very high92Very high20 Ų2038 Ų3811%0.10719%0.187CC..  trans-63.8123179.3-172.9-15.9000109.9S748 Q749 R754 T755 K792S748-D752 PolarHBondContact O-N 3.07Å; S748-D752 VanDerWaalsContact O-N 3.14Å; Q749-D752 WeakPolarHBondContact O-CB 3.43Å; Q749-D752 PolarHBondContact O-N 3.24Å; D752-R754 PolarHBondContact O-N 3.32Å; D752-R754 VanDerWaalsContact O-N 3.09Å; D752-R754 WeakPolarHBondContact OD1-CB 3.4Å; D752-R754 WeakPolarHBondContact OD1-CG 3.24Å; D752-R754 IonicContact OD1-CZ 2.8Å; D752-R754 PolarHBondContact OD1-N 2.85Å; D752-R754 IonicContact OD1-NE 3.02Å; D752-R754 PolarHBondContact OD1-NE 3.04Å; D752-R754 IonicContact OD1-NH2 3.11Å; D752-R754 IonicContact OD2-CZ 2.72Å; D752-R754 IonicContact OD2-NE 2.96Å; D752-R754 PolarHBondContact OD2-NE 3.35Å; D752-R754 IonicContact OD2-NH2 2.8Å; D752-R754 PolarHBondContact OD2-NH2 2.92Å; D752-T755 HydrophobicContact CB-CG2 4.13Å; D752-T755 PolarHBondContact O-N 3.26Å; D752-T755 PolarHBondContact O-OG1 3.49Å; D752-K792 PolarHBondContact O-NZ 2.78Å
753P88.1Confident91.9Very high43 Ų4337.4 Ų37.428%0.27918%0.184SC..THydrogen-bonded Turntrans-64.8-10.7176.827.4-36.6000113.7L751 Q795L751-P753 WeakPolarHBondContact O-CD 3.19Å; P753-Q795 VanDerWaalsContact CB-OE1 3.29Å; P753-Q795 PolarHBondContact O-OE1 3.24Å
754R88.2Confident91.8Very high213 Ų21337.5 Ų37.580%0.80419%0.185SC*.THydrogen-bonded Turntrans-83-17.4176.7-60.6173-66.1174.93.7113.1D752D752-R754 PolarHBondContact O-N 3.32Å; D752-R754 VanDerWaalsContact O-N 3.09Å; D752-R754 WeakPolarHBondContact OD1-CB 3.4Å; D752-R754 WeakPolarHBondContact OD1-CG 3.24Å; D752-R754 IonicContact OD1-CZ 2.8Å; D752-R754 PolarHBondContact OD1-N 2.85Å; D752-R754 IonicContact OD1-NE 3.02Å; D752-R754 PolarHBondContact OD1-NE 3.04Å; D752-R754 IonicContact OD1-NH2 3.11Å; D752-R754 IonicContact OD2-CZ 2.72Å; D752-R754 IonicContact OD2-NE 2.96Å; D752-R754 PolarHBondContact OD2-NE 3.35Å; D752-R754 IonicContact OD2-NH2 2.8Å; D752-R754 PolarHBondContact OD2-NH2 2.92Å
755T87.9Confident91.9Very high33 Ų3340.9 Ų40.920%0.20220%0.197CC..SBendtrans-92.1164.9179.160.70000110.8D752 T759 K792D752-T755 HydrophobicContact CB-CG2 4.13Å; D752-T755 PolarHBondContact O-N 3.26Å; D752-T755 PolarHBondContact O-OG1 3.49Å; T755-T759 PolarHBondContact OG1-OG1 3.07Å; T755-K792 PolarHBondContact O-NZ 3.22Å; T755-K792 PolarHBondContact OG1-NZ 3.02Å
756S89.7Confident91.9Very high41 Ų4137.5 Ų37.529%0.28718%0.181SC..  trans-47.6141.7173.7177.50000112.1N707 F758 T759 K792N707-S756 WeakPolarHBondContact OD1-CB 3.44Å; S756-F758 PolarHBondContact O-N 3.38Å; S756-F758 VanDerWaalsContact OG-CD2 3.28Å; S756-F758 WeakPolarHBondContact OG-CD2 3.2Å; S756-F758 PolarHBondContact OG-N 3.01Å; S756-T759 PolarHBondContact O-N 3.21Å; S756-T759 PolarHBondContact O-OG1 3.19Å; S756-K792 PolarHBondContact O-NZ 3.35Å
757E89.5Confident91.8Very high41 Ų4137.5 Ų37.519%0.19218%0.181CC..G310 helixtrans-59.8-30.3174.865171.116600111.8T759 A760 A796 E797 T798 V801E757-T759 PolarHBondContact O-N 3.24Å; E757-T759 VanDerWaalsContact O-N 3.13Å; E757-A760 WeakPolarHBondContact O-CB 3.31Å; E757-A760 PolarHBondContact O-N 2.98Å; E757-A796 WeakPolarHBondContact OE2-CA 3.4Å; E757-E797 PolarHBondContact OE2-N 3.34Å; E757-T798 PolarHBondContact OE1-OG1 3.18Å; E757-T798 PolarHBondContact OE2-N 3.47Å; E757-V801 WeakPolarHBondContact O-CG1 3.28Å
758F90.4Very high91.7Very high93 Ų9338 Ų3841%0.40819%0.185SC..G310 helixtrans-62.6-21.2-179.5-60.7-66000113.1Q711 S756 A760 A761 T798Q711-F758 PolarHBondContact NE2-O 2.88Å; S756-F758 PolarHBondContact O-N 3.38Å; S756-F758 VanDerWaalsContact OG-CD2 3.28Å; S756-F758 WeakPolarHBondContact OG-CD2 3.2Å; S756-F758 PolarHBondContact OG-N 3.01Å; F758-A760 PolarHBondContact O-N 3.11Å; F758-A760 VanDerWaalsContact O-N 3.12Å; F758-A761 WeakPolarHBondContact O-CB 3.47Å; F758-A761 PolarHBondContact O-N 2.81Å; F758-A761 VanDerWaalsContact O-N 3.1Å; F758-T798 HydrophobicContact CE1-CG2 4.23Å
759T90Very high91.6Very high1 Ų136 Ų361%0.00617%0.17CC..G310 helixtrans-61.5-21.5173.164.80000112.4M710 L750 T755 S756 E757 K792M710-T759 HydrophobicContact SD-CG2 3.52Å; M710-T759 VanDerWaalsContact SD-CG2 3.52Å; L750-T759 PolarHBondContact O-OG1 2.96Å; T755-T759 PolarHBondContact OG1-OG1 3.07Å; S756-T759 PolarHBondContact O-N 3.21Å; S756-T759 PolarHBondContact O-OG1 3.19Å; E757-T759 PolarHBondContact O-N 3.24Å; E757-T759 VanDerWaalsContact O-N 3.13Å; T759-K792 PolarHBondContact OG1-NZ 3.04Å
760A90Very high91.5Very high0 Ų033.5 Ų33.50%016%0.159CC..G310 helixtrans-95.47.7179.500000114E757 F758 F762 V763 K792 V801 S804 L805E757-A760 WeakPolarHBondContact O-CB 3.31Å; E757-A760 PolarHBondContact O-N 2.98Å; F758-A760 PolarHBondContact O-N 3.11Å; F758-A760 VanDerWaalsContact O-N 3.12Å; A760-F762 PolarHBondContact O-N 3.16Å; A760-V763 HydrophobicContact CB-CG1 3.83Å; A760-V763 WeakPolarHBondContact O-CG1 3.31Å; A760-K792 HydrophobicContact CB-CG 4Å; A760-V801 HydrophobicContact CB-CG1 3.84Å; A760-S804 PolarHBondContact O-OG 2.83Å; A760-L805 HydrophobicContact CB-CD1 4.42Å; A760-L805 HydrophobicContact CB-CD2 4.18Å; A760-L805 HydrophobicContact CB-CG 4.5Å
761A90.2Very high91.3Very high16 Ų1634.1 Ų34.113%0.13216%0.162CC..THydrogen-bonded Turntrans-57.8-44.1-178.300000113.2F758 V801 S804F758-A761 WeakPolarHBondContact O-CB 3.47Å; F758-A761 PolarHBondContact O-N 2.81Å; F758-A761 VanDerWaalsContact O-N 3.1Å; A761-V801 HydrophobicContact CB-CG2 4.46Å; A761-S804 WeakPolarHBondContact O-CB 3.32Å; A761-S804 PolarHBondContact O-OG 2.87Å
762F90.4Very high91Very high80 Ų8038.6 Ų38.635%0.35119%0.193SC..THydrogen-bonded Turntrans-112.3-1.7-177.9-52.9-64.9000114.2Q711 A760 G764 R765Q711-F762 HydrophobicContact CB-CD2 3.87Å; Q711-F762 HydrophobicContact CB-CE2 4.18Å; Q711-F762 HydrophobicContact CG-CD2 4.03Å; Q711-F762 HydrophobicContact CG-CE2 4.28Å; A760-F762 PolarHBondContact O-N 3.16Å; F762-G764 PolarHBondContact O-N 3.38Å; F762-G764 VanDerWaalsContact O-N 3.15Å; F762-R765 PolarHBondContact O-N 3.48Å; F762-R765 VanDerWaalsContact O-N 3.12Å
763V93.6Very high90.8Very high3 Ų343 Ų432%0.01821%0.212CC..Hα-helixtrans-62.3-28.3-175.476.40000112.5L750 L751 A760 R765 L766 V767 L805L750-V763 HydrophobicContact CB-CB 4.3Å; L750-V763 HydrophobicContact CB-CG2 3.82Å; L750-V763 HydrophobicContact CD1-CB 4.37Å; L750-V763 HydrophobicContact CD1-CG2 3.93Å; L751-V763 HydrophobicContact CD2-CG1 3.61Å; L751-V763 HydrophobicContact CD2-CG2 4.32Å; L751-V763 HydrophobicContact CG-CG1 4.33Å; L751-V763 HydrophobicContact CG-CG2 4.14Å; A760-V763 HydrophobicContact CB-CG1 3.83Å; A760-V763 WeakPolarHBondContact O-CG1 3.31Å; V763-R765 VanDerWaalsContact C-N 3.29Å; V763-R765 PolarHBondContact O-N 2.87Å; V763-L766 PolarHBondContact O-N 3.19Å; V763-V767 HydrophobicContact CG2-CG2 4.26Å; V763-V767 WeakPolarHBondContact O-CG2 3.23Å; V763-V767 PolarHBondContact O-N 3.02Å; V763-L805 HydrophobicContact CG1-CD2 3.9Å
764G92.4Very high90.6Very high2 Ų241.1 Ų41.12%0.02120%0.199CC..Hα-helixtrans-58.9-39.4176.800000113.1F762 S768 S804F762-G764 PolarHBondContact O-N 3.38Å; F762-G764 VanDerWaalsContact O-N 3.15Å; G764-S768 WeakPolarHBondContact O-CB 3.37Å; G764-S768 PolarHBondContact O-N 3.06Å; G764-S768 PolarHBondContact O-OG 2.88Å; G764-S804 WeakPolarHBondContact CA-O 3.22Å; G764-S804 PolarHBondContact N-OG 3.05Å
765R94.1Very high90.1Very high85 Ų8532.2 Ų32.232%0.32117%0.174SC..Hα-helixtrans-66.1-47.7176.2-64.5-177.3176.3174.8-6.8110.9F762 V763 V767 S768 T769 E855F762-R765 PolarHBondContact O-N 3.48Å; F762-R765 VanDerWaalsContact O-N 3.12Å; V763-R765 VanDerWaalsContact C-N 3.29Å; V763-R765 PolarHBondContact O-N 2.87Å; R765-V767 PolarHBondContact O-N 3.49Å; R765-S768 PolarHBondContact O-N 3.39Å; R765-T769 PolarHBondContact O-N 2.74Å; R765-T769 PolarHBondContact O-OG1 3.2Å; R765-T769 VanDerWaalsContact O-OG1 3.08Å; R765-E855 IonicContact CZ-OE1 3.94Å; R765-E855 IonicContact NE-OE1 3.45Å; R765-E855 PolarHBondContact NE-OE1 3.01Å; R765-E855 IonicContact NH2-OE1 3.53Å; R765-E855 PolarHBondContact NH2-OE1 3.48Å
766L95.1Very high89.4Confident0 Ų042.6 Ų42.60%021%0.209CC..Hα-helixtrans-56.4-48.7176171.659.5000111.9R718 V743 V747 V763 S768 T769 L770R718-L766 HydrophobicContact CB-CB 4.19Å; R718-L766 HydrophobicContact CB-CD1 3.86Å; V743-L766 HydrophobicContact CG1-CD1 4.22Å; V747-L766 HydrophobicContact CG2-CD2 3.65Å; V747-L766 HydrophobicContact CG2-CG 4.07Å; V763-L766 PolarHBondContact O-N 3.19Å; L766-S768 VanDerWaalsContact C-N 3.35Å; L766-S768 PolarHBondContact O-N 3.14Å; L766-T769 PolarHBondContact O-N 3.27Å; L766-L770 HydrophobicContact CD1-CD1 3.86Å; L766-L770 HydrophobicContact CD1-CG 4.2Å; L766-L770 HydrophobicContact CG-CD1 3.92Å; L766-L770 WeakPolarHBondContact O-CB 3.27Å; L766-L770 WeakPolarHBondContact O-CD1 3.21Å; L766-L770 WeakPolarHBondContact O-CG 3.32Å; L766-L770 PolarHBondContact O-N 3.48Å
767V94Very high88.8Confident0 Ų046.4 Ų46.40%022%0.222CC..Hα-helixtrans-63.9-41.5179.6173.90000111.1V747 V763 R765 L770 I771 I785 I789 V808V747-V767 HydrophobicContact CG1-CG2 3.87Å; V747-V767 HydrophobicContact CG2-CG2 4.44Å; V763-V767 HydrophobicContact CG2-CG2 4.26Å; V763-V767 WeakPolarHBondContact O-CG2 3.23Å; V763-V767 PolarHBondContact O-N 3.02Å; R765-V767 PolarHBondContact O-N 3.49Å; V767-L770 WeakPolarHBondContact O-CB 3.49Å; V767-L770 PolarHBondContact O-N 3.14Å; V767-I771 HydrophobicContact CG1-CD1 3.73Å; V767-I771 HydrophobicContact CG1-CG1 4.34Å; V767-I771 VanDerWaalsContact O-CG1 3.28Å; V767-I771 WeakPolarHBondContact O-CG1 3.32Å; V767-I771 PolarHBondContact O-N 3.33Å; V767-I785 HydrophobicContact CG1-CG2 3.72Å; V767-I785 HydrophobicContact CG2-CG2 3.92Å; V767-I789 HydrophobicContact CG1-CD1 4.25Å; V767-V808 HydrophobicContact CB-CG1 4.48Å; V767-V808 HydrophobicContact CB-CG2 4.06Å; V767-V808 HydrophobicContact CG1-CG1 3.61Å; V767-V808 HydrophobicContact CG1-CG2 4.08Å
768S92.4Very high88.3Confident12 Ų1244.6 Ų44.68%0.08421%0.214CC..Hα-helixtrans-63.5-43.9177.9-58.10000111.6G764 R765 L766 L770 I771 S772 H811G764-S768 WeakPolarHBondContact O-CB 3.37Å; G764-S768 PolarHBondContact O-N 3.06Å; G764-S768 PolarHBondContact O-OG 2.88Å; R765-S768 PolarHBondContact O-N 3.39Å; L766-S768 VanDerWaalsContact C-N 3.35Å; L766-S768 PolarHBondContact O-N 3.14Å; S768-L770 PolarHBondContact O-N 2.65Å; S768-I771 PolarHBondContact O-N 3.02Å; S768-S772 WeakPolarHBondContact O-CB 3.14Å; S768-S772 PolarHBondContact O-N 2.93Å; S768-H811 PolarHBondContact OG-ND1 3.24Å
769T92.5Very high87.7Confident16 Ų1642.7 Ų42.710%0.09822%0.221CC..Hα-helixtrans-62.3-41174.1-56.30000111.6R718 V721 R765 L766 S772 K773 D993R718-T769 HydrophobicContact CG-CG2 4.22Å; V721-T769 HydrophobicContact CG1-CG2 4.02Å; R765-T769 PolarHBondContact O-N 2.74Å; R765-T769 PolarHBondContact O-OG1 3.2Å; R765-T769 VanDerWaalsContact O-OG1 3.08Å; L766-T769 PolarHBondContact O-N 3.27Å; T769-S772 PolarHBondContact O-N 3.3Å; T769-K773 HydrophobicContact CG2-CG 4.25Å; T769-K773 WeakPolarHBondContact O-CB 3.36Å; T769-K773 WeakPolarHBondContact O-CG 3.37Å; T769-K773 PolarHBondContact O-N 2.95Å; T769-D993 PolarHBondContact OG1-OD2 3.2Å
770L91.7Very high87.3Confident1 Ų150.3 Ų50.31%0.00526%0.256CS..Hα-helixtrans-62.7-44.4175.5-80.3161.9000112.7V721 L740 V743 M744 V747 L766 V767 S768 S772 A774V721-L770 HydrophobicContact CB-CD2 4.5Å; V721-L770 HydrophobicContact CG1-CD2 3.83Å; V721-L770 HydrophobicContact CG1-CG 4.19Å; V721-L770 HydrophobicContact CG2-CD2 3.84Å; V721-L770 HydrophobicContact CG2-CG 4.44Å; L740-L770 HydrophobicContact CD1-CD2 3.95Å; V743-L770 HydrophobicContact CG1-CD1 3.75Å; V743-L770 HydrophobicContact CG1-CD2 3.93Å; V743-L770 HydrophobicContact CG1-CG 4.31Å; M744-L770 HydrophobicContact CE-CD1 3.63Å; M744-L770 HydrophobicContact CE-CD2 3.83Å; M744-L770 HydrophobicContact CE-CG 4.3Å; V747-L770 HydrophobicContact CG2-CD1 3.82Å; L766-L770 HydrophobicContact CD1-CD1 3.86Å; L766-L770 HydrophobicContact CD1-CG 4.2Å; L766-L770 HydrophobicContact CG-CD1 3.92Å; L766-L770 WeakPolarHBondContact O-CB 3.27Å; L766-L770 WeakPolarHBondContact O-CD1 3.21Å; L766-L770 WeakPolarHBondContact O-CG 3.32Å; L766-L770 PolarHBondContact O-N 3.48Å; V767-L770 WeakPolarHBondContact O-CB 3.49Å; V767-L770 PolarHBondContact O-N 3.14Å; S768-L770 PolarHBondContact O-N 2.65Å; L770-S772 VanDerWaalsContact C-N 3.33Å; L770-A774 CarbonylContact O-C 3.59Å; L770-A774 VanDerWaalsContact O-CA 3.31Å; L770-A774 WeakPolarHBondContact O-CA 3.21Å; L770-A774 VanDerWaalsContact O-CB 3.31Å; L770-A774 WeakPolarHBondContact O-CB 3.5Å; L770-A774 PolarHBondContact O-N 3.39Å
771I89.6Confident87Confident16 Ų1653.3 Ų53.38%0.08227%0.272CS..Hα-helixtrans-62.8-43.7177-69.1165.8000110.2V767 S768 G775 L778 L782 V808 L812V767-I771 HydrophobicContact CG1-CD1 3.73Å; V767-I771 HydrophobicContact CG1-CG1 4.34Å; V767-I771 VanDerWaalsContact O-CG1 3.28Å; V767-I771 WeakPolarHBondContact O-CG1 3.32Å; V767-I771 PolarHBondContact O-N 3.33Å; S768-I771 PolarHBondContact O-N 3.02Å; I771-G775 WeakPolarHBondContact O-CA 3.11Å; I771-G775 PolarHBondContact O-N 3.06Å; I771-G775 VanDerWaalsContact O-N 3.11Å; I771-L778 HydrophobicContact CG1-CD1 4.35Å; I771-L782 HydrophobicContact CD1-CD1 3.88Å; I771-L782 HydrophobicContact CG1-CD1 3.82Å; I771-V808 HydrophobicContact CD1-CG1 3.97Å; I771-L812 HydrophobicContact CD1-CD1 4.18Å; I771-L812 HydrophobicContact CD1-CD2 4.09Å; I771-L812 HydrophobicContact CD1-CG 4.08Å; I771-L812 HydrophobicContact CG2-CD2 3.85Å
772S88.2Confident86.8Confident94 Ų9453.6 Ų53.666%0.65727%0.271SS*.Hα-helixtrans-64.7-45.1-179.8-177.90000112.7S768 T769 L770S768-S772 WeakPolarHBondContact O-CB 3.14Å; S768-S772 PolarHBondContact O-N 2.93Å; T769-S772 PolarHBondContact O-N 3.3Å; L770-S772 VanDerWaalsContact C-N 3.33Å
773K88.5Confident86.8Confident114 Ų11452.8 Ų52.850%0.49627%0.271SS..Hα-helixtrans-90.3-38.2-174.3-62.1-73.6-174.4168.40113.9V721 L725 T769V721-K773 HydrophobicContact CG1-CB 4.4Å; L725-K773 HydrophobicContact CD2-CB 3.76Å; L725-K773 VanDerWaalsContact CD2-O 3.31Å; L725-K773 WeakPolarHBondContact CD2-O 3.5Å; T769-K773 HydrophobicContact CG2-CG 4.25Å; T769-K773 WeakPolarHBondContact O-CB 3.36Å; T769-K773 WeakPolarHBondContact O-CG 3.37Å; T769-K773 PolarHBondContact O-N 2.95Å
774A84.8Confident86.6Confident3 Ų357.9 Ų57.93%0.02530%0.295CS..Hα-helixtrans-114.311.1-17200000113.7L725 L770 R776 E777 L778L725-A774 HydrophobicContact CD1-CB 4.25Å; L725-A774 HydrophobicContact CD2-CB 3.72Å; L770-A774 CarbonylContact O-C 3.59Å; L770-A774 VanDerWaalsContact O-CA 3.31Å; L770-A774 WeakPolarHBondContact O-CA 3.21Å; L770-A774 VanDerWaalsContact O-CB 3.31Å; L770-A774 WeakPolarHBondContact O-CB 3.5Å; L770-A774 PolarHBondContact O-N 3.39Å; A774-R776 PolarHBondContact O-N 3.04Å; A774-E777 PolarHBondContact O-N 3.08Å; A774-L778 HydrophobicContact CB-CG 4.36Å; A774-L778 PolarHBondContact O-N 3.32Å; A774-L778 VanDerWaalsContact O-N 3.16Å
775G76.4Confident86.6Confident26 Ų2658.2 Ų58.227%0.26830%0.296SS..Hα-helixtrans-51.9-30.9-170.900000116I771I771-G775 WeakPolarHBondContact O-CA 3.11Å; I771-G775 PolarHBondContact O-N 3.06Å; I771-G775 VanDerWaalsContact O-N 3.11Å
776R74.7Confident86.6Confident251 Ų25154.4 Ų54.495%0.94728%0.282SS*.Hα-helixtrans-76.7-27.2176-65.6-177-177.7175.62.5113.9A774A774-R776 PolarHBondContact O-N 3.04Å
777E76.1Confident86.5Confident120 Ų12059.4 Ų59.456%0.56130%0.3SS*.Hα-helixtrans-89.8-22.2-177.3-61.2-170.9171.300112.6L740 A774L740-E777 HydrophobicContact CD2-CB 4.33Å; A774-E777 PolarHBondContact O-N 3.08Å
778L79Confident86.5Confident3 Ų360.6 Ų60.62%0.01631%0.31CS..Hα-helixtrans-66.4-39.2-178.4-70.6171.7000112.8M744 I771 A774 E780 N781 L782M744-L778 HydrophobicContact CE-CD2 3.8Å; M744-L778 HydrophobicContact SD-CD2 3.61Å; I771-L778 HydrophobicContact CG1-CD1 4.35Å; A774-L778 HydrophobicContact CB-CG 4.36Å; A774-L778 PolarHBondContact O-N 3.32Å; A774-L778 VanDerWaalsContact O-N 3.16Å; L778-E780 PolarHBondContact O-N 3.1Å; L778-N781 VanDerWaalsContact O-CB 3.23Å; L778-N781 WeakPolarHBondContact O-CB 3.35Å; L778-N781 PolarHBondContact O-N 2.95Å; L778-N781 PolarHBondContact O-ND2 3.46Å; L778-L782 HydrophobicContact CB-CB 4.42Å
779G78.5Confident86.6Confident53 Ų5360 Ų6055%0.54631%0.307SS..THydrogen-bonded Turntrans48.4-121.7177.700000113N781 L782G779-N781 PolarHBondContact O-N 3.02Å; G779-L782 PolarHBondContact O-N 2.92Å
780E80.1Confident86.7Confident161 Ų16159.8 Ų59.875%0.75230%0.304SS*.Hα-helixtrans-65.3-18.6178.7-63.5-175.3172.900114.3L778 L782 D783 Q784L778-E780 PolarHBondContact O-N 3.1Å; E780-L782 VanDerWaalsContact C-N 3.29Å; E780-L782 PolarHBondContact O-N 3.42Å; E780-D783 WeakPolarHBondContact O-CB 3.44Å; E780-Q784 PolarHBondContact O-N 3.23Å
781N84.8Confident86.8Confident63 Ų6361.8 Ų61.834%0.33732%0.319SS..Hα-helixtrans-69.8-28.5178-62.3-43.1000111.8M744 L778 G779 D783 Q784 I785M744-N781 HydrophobicContact SD-CB 4.28Å; L778-N781 VanDerWaalsContact O-CB 3.23Å; L778-N781 WeakPolarHBondContact O-CB 3.35Å; L778-N781 PolarHBondContact O-N 2.95Å; L778-N781 PolarHBondContact O-ND2 3.46Å; G779-N781 PolarHBondContact O-N 3.02Å; N781-D783 VanDerWaalsContact C-N 3.34Å; N781-D783 PolarHBondContact O-N 3.06Å; N781-Q784 PolarHBondContact O-N 3.09Å; N781-Q784 VanDerWaalsContact O-N 3.14Å; N781-I785 VanDerWaalsContact O-CG1 3.29Å; N781-I785 WeakPolarHBondContact O-CG1 3.38Å; N781-I785 PolarHBondContact O-N 3.08Å
782L86.5Confident87Confident22 Ų2261.2 Ų61.212%0.11532%0.316CS..Hα-helixtrans-58.6-49.1176.9179.360.2000110.6I771 L778 G779 E780 Q784 I785 L786I771-L782 HydrophobicContact CD1-CD1 3.88Å; I771-L782 HydrophobicContact CG1-CD1 3.82Å; L778-L782 HydrophobicContact CB-CB 4.42Å; G779-L782 PolarHBondContact O-N 2.92Å; E780-L782 VanDerWaalsContact C-N 3.29Å; E780-L782 PolarHBondContact O-N 3.42Å; L782-Q784 VanDerWaalsContact C-N 3.25Å; L782-Q784 PolarHBondContact O-N 3.14Å; L782-I785 PolarHBondContact O-N 3.45Å; L782-L786 HydrophobicContact CD1-CD1 4.32Å; L782-L786 HydrophobicContact CD1-CG 4.26Å; L782-L786 HydrophobicContact CG-CD1 4.19Å; L782-L786 WeakPolarHBondContact O-CG 3.29Å; L782-L786 PolarHBondContact O-N 3.45Å
783D89.3Confident87.3Confident63 Ų6356.9 Ų56.934%0.33729%0.285SS..Hα-helixtrans-56.8-36.7175.8-94.236.5000113E780 N781 R787 F823E780-D783 WeakPolarHBondContact O-CB 3.44Å; N781-D783 VanDerWaalsContact C-N 3.34Å; N781-D783 PolarHBondContact O-N 3.06Å; D783-R787 VanDerWaalsContact O-CG 3.32Å; D783-R787 WeakPolarHBondContact O-CG 3.47Å; D783-R787 PolarHBondContact O-N 3.03Å; D783-R787 PolarHBondContact O-NH1 2.99Å; D783-R787 IonicContact OD2-NH1 3.73Å; D783-R787 IonicContact OD2-NH2 2.88Å; D783-R787 PolarHBondContact OD2-NH2 3.46Å; D783-F823 HydrophobicContact CB-CE2 3.91Å; D783-F823 VanDerWaalsContact CG-CE2 3.45Å
784Q90.9Very high87.5Confident111 Ų11156 Ų5652%0.51928%0.283SS..Hα-helixtrans-71.2-43.2177.4-64.8179.918.600111.5E780 N781 L782 R787 A788E780-Q784 PolarHBondContact O-N 3.23Å; N781-Q784 PolarHBondContact O-N 3.09Å; N781-Q784 VanDerWaalsContact O-N 3.14Å; L782-Q784 VanDerWaalsContact C-N 3.25Å; L782-Q784 PolarHBondContact O-N 3.14Å; Q784-R787 PolarHBondContact O-N 3.24Å; Q784-A788 PolarHBondContact O-N 3.34Å
785I92.4Very high87.7Confident8 Ų861.2 Ų61.24%0.04131%0.306CS..Hα-helixtrans-61.2-47.4177.2-66.1164.3000110.3M744 V747 L751 V767 N781 L782 R787 A788 I789M744-I785 HydrophobicContact CE-CD1 4.47Å; M744-I785 HydrophobicContact SD-CD1 3.83Å; V747-I785 HydrophobicContact CG1-CD1 4.35Å; V747-I785 HydrophobicContact CG1-CG1 3.99Å; V747-I785 HydrophobicContact CG1-CG2 4.09Å; L751-I785 HydrophobicContact CD1-CG2 4.11Å; V767-I785 HydrophobicContact CG1-CG2 3.72Å; V767-I785 HydrophobicContact CG2-CG2 3.92Å; N781-I785 VanDerWaalsContact O-CG1 3.29Å; N781-I785 WeakPolarHBondContact O-CG1 3.38Å; N781-I785 PolarHBondContact O-N 3.08Å; L782-I785 PolarHBondContact O-N 3.45Å; I785-R787 VanDerWaalsContact C-N 3.3Å; I785-R787 PolarHBondContact O-N 3.32Å; I785-A788 WeakPolarHBondContact O-CB 3.15Å; I785-A788 PolarHBondContact O-N 2.91Å; I785-A788 VanDerWaalsContact O-N 3.08Å; I785-I789 HydrophobicContact CG2-CD1 3.95Å; I785-I789 HydrophobicContact CG2-CG1 4.43Å; I785-I789 WeakPolarHBondContact O-CG1 3.36Å; I785-I789 PolarHBondContact O-N 3.08Å
786L93Very high88.4Confident6 Ų660.3 Ų60.33%0.03130%0.296CS..Hα-helixtrans-63.8-35.5179.8-62.7179000112.3L782 I789 L790 V808 F809 L812 F823L782-L786 HydrophobicContact CD1-CD1 4.32Å; L782-L786 HydrophobicContact CD1-CG 4.26Å; L782-L786 HydrophobicContact CG-CD1 4.19Å; L782-L786 WeakPolarHBondContact O-CG 3.29Å; L782-L786 PolarHBondContact O-N 3.45Å; L786-I789 HydrophobicContact CD2-CD1 4.35Å; L786-L790 VanDerWaalsContact O-CG 3.31Å; L786-L790 WeakPolarHBondContact O-CG 3.37Å; L786-L790 PolarHBondContact O-N 3.15Å; L786-V808 HydrophobicContact CD2-CG1 4.13Å; L786-F809 HydrophobicContact CD2-CD1 4.44Å; L786-F809 HydrophobicContact CD2-CE1 3.93Å; L786-L812 HydrophobicContact CD1-CD1 3.95Å; L786-L812 HydrophobicContact CD2-CD1 3.56Å; L786-L812 HydrophobicContact CG-CD1 4.37Å; L786-F823 HydrophobicContact CB-CD1 4.33Å; L786-F823 HydrophobicContact CB-CE1 3.39Å; L786-F823 HydrophobicContact CB-CZ 3.58Å; L786-F823 HydrophobicContact CD1-CD1 3.92Å; L786-F823 HydrophobicContact CD1-CE1 3.8Å; L786-F823 HydrophobicContact CD1-CG 4.48Å; L786-F823 HydrophobicContact CD1-CZ 4.23Å; L786-F823 HydrophobicContact CG-CE1 4.25Å
787R93.3Very high89.1Confident104 Ų10456.5 Ų56.539%0.39229%0.29SS..Hα-helixtrans-65.3-40.1171.6-74.5-178.2-166.298.87.7112.3D783 Q784 I785 L790 S791 F823 L827D783-R787 VanDerWaalsContact O-CG 3.32Å; D783-R787 WeakPolarHBondContact O-CG 3.47Å; D783-R787 PolarHBondContact O-N 3.03Å; D783-R787 PolarHBondContact O-NH1 2.99Å; D783-R787 IonicContact OD2-NH1 3.73Å; D783-R787 IonicContact OD2-NH2 2.88Å; D783-R787 PolarHBondContact OD2-NH2 3.46Å; Q784-R787 PolarHBondContact O-N 3.24Å; I785-R787 VanDerWaalsContact C-N 3.3Å; I785-R787 PolarHBondContact O-N 3.32Å; R787-L790 PolarHBondContact O-N 3.46Å; R787-S791 PolarHBondContact O-N 3.26Å; R787-F823 HydrophobicContact CG-CZ 4.05Å; R787-L827 HydrophobicContact CG-CD1 3.73Å; R787-L827 HydrophobicContact CG-CD2 4.49Å
788A93.9Very high89.9Confident25 Ų2552.9 Ų52.921%0.20728%0.275CS..Hα-helixtrans-65.9-42177.400000111.6L751 Q784 I785 L790 S791 K792L751-A788 HydrophobicContact CB-CB 3.76Å; L751-A788 HydrophobicContact CD1-CB 3.97Å; L751-A788 HydrophobicContact CG-CB 4.5Å; Q784-A788 PolarHBondContact O-N 3.34Å; I785-A788 WeakPolarHBondContact O-CB 3.15Å; I785-A788 PolarHBondContact O-N 2.91Å; I785-A788 VanDerWaalsContact O-N 3.08Å; A788-L790 PolarHBondContact O-N 3.38Å; A788-S791 WeakPolarHBondContact O-CB 3.26Å; A788-S791 PolarHBondContact O-N 3.25Å; A788-K792 PolarHBondContact O-N 2.79Å
789I95.2Very high90.6Very high1 Ų155.3 Ų55.31%0.00529%0.288CS..Hα-helixtrans-56.8-50.8172.3-70172.3000110.8L751 V767 I785 L786 S791 K792 M793 L805 V808 F809L751-I789 HydrophobicContact CD1-CG1 3.74Å; L751-I789 HydrophobicContact CD2-CG1 3.8Å; L751-I789 HydrophobicContact CG-CG1 4.45Å; V767-I789 HydrophobicContact CG1-CD1 4.25Å; I785-I789 HydrophobicContact CG2-CD1 3.95Å; I785-I789 HydrophobicContact CG2-CG1 4.43Å; I785-I789 WeakPolarHBondContact O-CG1 3.36Å; I785-I789 PolarHBondContact O-N 3.08Å; L786-I789 HydrophobicContact CD2-CD1 4.35Å; I789-S791 VanDerWaalsContact C-N 3.27Å; I789-S791 PolarHBondContact O-N 2.99Å; I789-K792 PolarHBondContact O-N 2.67Å; I789-K792 VanDerWaalsContact O-N 3.17Å; I789-M793 HydrophobicContact CG2-CG 4.28Å; I789-M793 HydrophobicContact CG2-SD 3.97Å; I789-M793 WeakPolarHBondContact O-CB 3.35Å; I789-M793 VanDerWaalsContact O-CG 3.31Å; I789-M793 WeakPolarHBondContact O-CG 3.33Å; I789-M793 PolarHBondContact O-N 2.94Å; I789-L805 HydrophobicContact CG1-CD2 4.2Å; I789-L805 HydrophobicContact CG2-CB 4.08Å; I789-L805 HydrophobicContact CG2-CD2 4.09Å; I789-V808 HydrophobicContact CD1-CB 3.94Å; I789-V808 HydrophobicContact CD1-CG1 3.7Å; I789-V808 HydrophobicContact CD1-CG2 3.88Å; I789-F809 HydrophobicContact CB-CZ 4.45Å; I789-F809 HydrophobicContact CG2-CE2 3.54Å; I789-F809 HydrophobicContact CG2-CZ 3.73Å
790L94.6Very high91.2Very high10 Ų1054.5 Ų54.55%0.05227%0.274CS..Hα-helixtrans-58.7-39.2177.6-72.6171.3000112.4L786 R787 A788 Q794 F809 L824 L827 A835 F838 V839L786-L790 VanDerWaalsContact O-CG 3.31Å; L786-L790 WeakPolarHBondContact O-CG 3.37Å; L786-L790 PolarHBondContact O-N 3.15Å; R787-L790 PolarHBondContact O-N 3.46Å; A788-L790 PolarHBondContact O-N 3.38Å; L790-Q794 WeakPolarHBondContact O-CG 3.32Å; L790-Q794 PolarHBondContact O-N 3.41Å; L790-F809 HydrophobicContact CD2-CE2 4.44Å; L790-F809 HydrophobicContact CD2-CZ 3.94Å; L790-F809 HydrophobicContact CG-CZ 4.11Å; L790-L824 HydrophobicContact CD1-CD2 4.09Å; L790-L824 HydrophobicContact CD2-CD2 4.24Å; L790-L827 HydrophobicContact CD1-CD1 3.91Å; L790-A835 HydrophobicContact CD1-CB 3.96Å; L790-A835 HydrophobicContact CD2-CB 4.35Å; L790-F838 HydrophobicContact CD2-CD1 4.32Å; L790-V839 HydrophobicContact CD2-CG2 3.38Å
791S93.3Very high91.8Very high44 Ų4446.8 Ų46.831%0.30824%0.238SC..Hα-helixtrans-66.9-40.7177.2-170.30000112.2R787 A788 I789R787-S791 PolarHBondContact O-N 3.26Å; A788-S791 WeakPolarHBondContact O-CB 3.26Å; A788-S791 PolarHBondContact O-N 3.25Å; I789-S791 VanDerWaalsContact C-N 3.27Å; I789-S791 PolarHBondContact O-N 2.99Å
792K93.9Very high92.3Very high3 Ų343.8 Ų43.81%0.01322%0.222CC..Hα-helixtrans-71.2-40.7179.5-162.770.2163.8-179.90111.3D752 T755 S756 T759 A760 A788 I789 Q794 Q795 A796 L805D752-K792 PolarHBondContact O-NZ 2.78Å; T755-K792 PolarHBondContact O-NZ 3.22Å; T755-K792 PolarHBondContact OG1-NZ 3.02Å; S756-K792 PolarHBondContact O-NZ 3.35Å; T759-K792 PolarHBondContact OG1-NZ 3.04Å; A760-K792 HydrophobicContact CB-CG 4Å; A788-K792 PolarHBondContact O-N 2.79Å; I789-K792 PolarHBondContact O-N 2.67Å; I789-K792 VanDerWaalsContact O-N 3.17Å; K792-Q794 PolarHBondContact O-N 3.07Å; K792-Q795 PolarHBondContact O-N 3.15Å; K792-A796 PolarHBondContact O-N 2.98Å; K792-A796 VanDerWaalsContact O-N 3.13Å; K792-L805 HydrophobicContact CB-CD1 4.17Å; K792-L805 HydrophobicContact CG-CD1 4.16Å
793M94Very high92.7Very high3 Ų343.1 Ų43.12%0.01522%0.218CC..Hα-helixtrans-58.3-32.7174.9-75.7179.969.100113.4I789 Q795 A796 M802 L805 I806 F809 F838 E842I789-M793 HydrophobicContact CG2-CG 4.28Å; I789-M793 HydrophobicContact CG2-SD 3.97Å; I789-M793 WeakPolarHBondContact O-CB 3.35Å; I789-M793 VanDerWaalsContact O-CG 3.31Å; I789-M793 WeakPolarHBondContact O-CG 3.33Å; I789-M793 PolarHBondContact O-N 2.94Å; M793-Q795 PolarHBondContact O-N 2.81Å; M793-A796 PolarHBondContact O-N 3Å; M793-M802 HydrophobicContact CB-SD 4.16Å; M793-M802 HydrophobicContact CE-CE 3.92Å; M793-M802 HydrophobicContact CE-SD 4.46Å; M793-M802 HydrophobicContact CG-SD 4.18Å; M793-L805 HydrophobicContact CB-CD1 4.45Å; M793-L805 HydrophobicContact CG-CB 3.67Å; M793-L805 HydrophobicContact CG-CD1 3.6Å; M793-L805 HydrophobicContact CG-CG 4.25Å; M793-L805 HydrophobicContact SD-CB 4.18Å; M793-I806 HydrophobicContact CE-CD1 4.15Å; M793-I806 HydrophobicContact CE-CG1 3.57Å; M793-I806 HydrophobicContact SD-CG1 4.49Å; M793-F809 HydrophobicContact SD-CD2 4.37Å; M793-F809 HydrophobicContact SD-CE2 3.63Å; M793-F838 HydrophobicContact CB-CE1 3.93Å; M793-F838 HydrophobicContact CB-CZ 4.12Å; M793-F838 HydrophobicContact CE-CE1 4.38Å; M793-E842 HydrophobicContact CE-CB 4.28Å
794Q91.9Very high93Very high96 Ų9640.8 Ų40.845%0.44921%0.207SC..THydrogen-bonded Turntrans-67.5-16.1178.1-75.5175.939.900113.7L790 K792 P830 F838L790-Q794 WeakPolarHBondContact O-CG 3.32Å; L790-Q794 PolarHBondContact O-N 3.41Å; K792-Q794 PolarHBondContact O-N 3.07Å; Q794-P830 HydrophobicContact CG-CB 4.46Å; Q794-P830 HydrophobicContact CG-CG 4.37Å; Q794-F838 HydrophobicContact CB-CZ 4.45Å; Q794-F838 HydrophobicContact CG-CE1 3.85Å; Q794-F838 HydrophobicContact CG-CE2 4.35Å; Q794-F838 HydrophobicContact CG-CZ 3.69Å
795Q89.4Confident93.3Very high112 Ų11235.5 Ų35.552%0.52318%0.182SC..THydrogen-bonded Turntrans-114.7-8.4-178-62.1-179.3-15.600112.9P753 K792 M793P753-Q795 VanDerWaalsContact CB-OE1 3.29Å; P753-Q795 PolarHBondContact O-OE1 3.24Å; K792-Q795 PolarHBondContact O-N 3.15Å; M793-Q795 PolarHBondContact O-N 2.81Å
796A91.4Very high93.4Very high7 Ų735.1 Ų35.16%0.05818%0.18CC..  trans-85130.5-177.600000110.7E757 K792 M793 V801 M802E757-A796 WeakPolarHBondContact OE2-CA 3.4Å; K792-A796 PolarHBondContact O-N 2.98Å; K792-A796 VanDerWaalsContact O-N 3.13Å; M793-A796 PolarHBondContact O-N 3Å; A796-V801 HydrophobicContact CB-CG1 4.01Å; A796-M802 HydrophobicContact CB-CG 4.06Å; A796-M802 HydrophobicContact CB-SD 3.86Å
797E89.9Confident93.6Very high172 Ų17235.2 Ų35.280%0.80418%0.181SC*.  trans-110.9-30.2176.2-65.6-174.8176.100110.9E757 L799E757-E797 PolarHBondContact OE2-N 3.34Å; E797-L799 PolarHBondContact O-N 3.13Å
798T92.9Very high93.7Very high43 Ų4330.2 Ų30.226%0.26416%0.162SC..  trans-68.8128.1-178.1-62.10000111.5E757 F758 S800 V801 M802E757-T798 PolarHBondContact OE1-OG1 3.18Å; E757-T798 PolarHBondContact OE2-N 3.47Å; F758-T798 HydrophobicContact CE1-CG2 4.23Å; T798-S800 VanDerWaalsContact CG2-OG 3.3Å; T798-S800 WeakPolarHBondContact CG2-OG 3.46Å; T798-S800 PolarHBondContact O-N 3Å; T798-V801 HydrophobicContact CG2-CG2 4.31Å; T798-V801 PolarHBondContact O-N 3.06Å; T798-M802 PolarHBondContact O-N 3.41Å
799L92.6Very high93.8Very high54 Ų5429.1 Ų29.128%0.28315%0.152SC..Hα-helixtrans-57.5-44.2-176.3177.763.3000113.3E797 V801 M802 Q803 R846 L849 F850E797-L799 PolarHBondContact O-N 3.13Å; L799-V801 PolarHBondContact O-N 2.98Å; L799-M802 PolarHBondContact O-N 3.4Å; L799-Q803 WeakPolarHBondContact O-CB 3.3Å; L799-Q803 PolarHBondContact O-N 2.91Å; L799-R846 HydrophobicContact CD1-CB 4.06Å; L799-R846 HydrophobicContact CD1-CG 4.28Å; L799-L849 HydrophobicContact CD1-CB 4.08Å; L799-L849 HydrophobicContact CD2-CB 3.75Å; L799-L849 WeakPolarHBondContact CD2-O 3.47Å; L799-F850 HydrophobicContact CD1-CD1 4.14Å; L799-F850 HydrophobicContact CD1-CE1 4.17Å
800S92.1Very high93.8Very high36 Ų3629 Ų2925%0.25215%0.152SC..Hα-helixtrans-59.7-43.9-179.860.90000112.7T798 Q803 S804 Y851T798-S800 VanDerWaalsContact CG2-OG 3.3Å; T798-S800 WeakPolarHBondContact CG2-OG 3.46Å; T798-S800 PolarHBondContact O-N 3Å; S800-Q803 PolarHBondContact O-N 3.47Å; S800-S804 WeakPolarHBondContact O-CB 3.15Å; S800-S804 PolarHBondContact O-N 3.15Å; S800-Y851 WeakPolarHBondContact CA-OH 3.37Å; S800-Y851 WeakPolarHBondContact CB-OH 3.22Å
801V93.4Very high93.8Very high0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-65.9-45.8176.8179.30000110.2E757 A760 A761 A796 T798 L799 Q803 S804 L805E757-V801 WeakPolarHBondContact O-CG1 3.28Å; A760-V801 HydrophobicContact CB-CG1 3.84Å; A761-V801 HydrophobicContact CB-CG2 4.46Å; A796-V801 HydrophobicContact CB-CG1 4.01Å; T798-V801 HydrophobicContact CG2-CG2 4.31Å; T798-V801 PolarHBondContact O-N 3.06Å; L799-V801 PolarHBondContact O-N 2.98Å; V801-Q803 PolarHBondContact O-N 2.97Å; V801-S804 WeakPolarHBondContact O-CB 3.22Å; V801-S804 PolarHBondContact O-N 3.29Å; V801-L805 HydrophobicContact CG1-CD1 4.07Å; V801-L805 WeakPolarHBondContact O-CG 3.35Å; V801-L805 PolarHBondContact O-N 3.27Å
802M94.7Very high93.8Very high0 Ų028.3 Ų28.30%014%0.144CC..Hα-helixtrans-61-44.2177.1-80.3-63.9-77.300112.1M793 A796 T798 L799 L805 I806 E842M793-M802 HydrophobicContact CB-SD 4.16Å; M793-M802 HydrophobicContact CE-CE 3.92Å; M793-M802 HydrophobicContact CE-SD 4.46Å; M793-M802 HydrophobicContact CG-SD 4.18Å; A796-M802 HydrophobicContact CB-CG 4.06Å; A796-M802 HydrophobicContact CB-SD 3.86Å; T798-M802 PolarHBondContact O-N 3.41Å; L799-M802 PolarHBondContact O-N 3.4Å; M802-L805 PolarHBondContact O-N 3.44Å; M802-I806 HydrophobicContact CE-CD1 4.17Å; M802-I806 WeakPolarHBondContact O-CB 3.5Å; M802-I806 WeakPolarHBondContact O-CD1 3.45Å; M802-I806 WeakPolarHBondContact O-CG1 3.29Å; M802-I806 PolarHBondContact O-N 3.08Å; M802-E842 HydrophobicContact CE-CB 3.66Å; M802-E842 HydrophobicContact CE-CG 3.91Å; M802-E842 WeakPolarHBondContact CE-OE2 3.22Å
803Q95.1Very high93.8Very high7 Ų728.4 Ų28.43%0.03314%0.144CC..Hα-helixtrans-58.8-50.4175.4-179.2177.9-26.200110.9L799 S800 V801 L805 I806 M807 F850 Y851L799-Q803 WeakPolarHBondContact O-CB 3.3Å; L799-Q803 PolarHBondContact O-N 2.91Å; S800-Q803 PolarHBondContact O-N 3.47Å; V801-Q803 PolarHBondContact O-N 2.97Å; Q803-L805 VanDerWaalsContact C-N 3.32Å; Q803-L805 PolarHBondContact O-N 2.77Å; Q803-I806 PolarHBondContact O-N 3.46Å; Q803-M807 HydrophobicContact CG-CG 4.3Å; Q803-M807 WeakPolarHBondContact O-CB 3.46Å; Q803-M807 VanDerWaalsContact O-CG 3.3Å; Q803-M807 WeakPolarHBondContact O-CG 3.21Å; Q803-M807 PolarHBondContact O-N 2.87Å; Q803-F850 HydrophobicContact CB-CD1 3.82Å; Q803-F850 HydrophobicContact CB-CE1 3.8Å; Q803-F850 HydrophobicContact CB-CG 4.43Å; Q803-F850 HydrophobicContact CB-CZ 4.37Å; Q803-F850 HydrophobicContact CG-CB 4.35Å; Q803-F850 HydrophobicContact CG-CD1 3.8Å; Q803-F850 HydrophobicContact CG-CD2 4.25Å; Q803-F850 HydrophobicContact CG-CE1 4.1Å; Q803-F850 HydrophobicContact CG-CG 3.89Å; Q803-F850 HydrophobicContact CG-CZ 4.45Å; Q803-Y851 PolarHBondContact NE2-O 2.98Å
804S95Very high93.8Very high14 Ų1430 Ų3010%0.09815%0.152CC..Hα-helixtrans-53.7-46.5178.1-171.20000112.7A760 A761 G764 S800 V801 M807A760-S804 PolarHBondContact O-OG 2.83Å; A761-S804 WeakPolarHBondContact O-CB 3.32Å; A761-S804 PolarHBondContact O-OG 2.87Å; G764-S804 WeakPolarHBondContact CA-O 3.22Å; G764-S804 PolarHBondContact N-OG 3.05Å; S800-S804 WeakPolarHBondContact O-CB 3.15Å; S800-S804 PolarHBondContact O-N 3.15Å; V801-S804 WeakPolarHBondContact O-CB 3.22Å; V801-S804 PolarHBondContact O-N 3.29Å; S804-M807 PolarHBondContact O-N 3.05Å
805L96.3Very high93.7Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-69.3-40.2179-66.2175.3000112.5L751 A760 V763 I789 K792 M793 V801 M802 Q803 M807 V808L751-L805 HydrophobicContact CD2-CD2 3.63Å; A760-L805 HydrophobicContact CB-CD1 4.42Å; A760-L805 HydrophobicContact CB-CD2 4.18Å; A760-L805 HydrophobicContact CB-CG 4.5Å; V763-L805 HydrophobicContact CG1-CD2 3.9Å; I789-L805 HydrophobicContact CG1-CD2 4.2Å; I789-L805 HydrophobicContact CG2-CB 4.08Å; I789-L805 HydrophobicContact CG2-CD2 4.09Å; K792-L805 HydrophobicContact CB-CD1 4.17Å; K792-L805 HydrophobicContact CG-CD1 4.16Å; M793-L805 HydrophobicContact CB-CD1 4.45Å; M793-L805 HydrophobicContact CG-CB 3.67Å; M793-L805 HydrophobicContact CG-CD1 3.6Å; M793-L805 HydrophobicContact CG-CG 4.25Å; M793-L805 HydrophobicContact SD-CB 4.18Å; V801-L805 HydrophobicContact CG1-CD1 4.07Å; V801-L805 WeakPolarHBondContact O-CG 3.35Å; V801-L805 PolarHBondContact O-N 3.27Å; M802-L805 PolarHBondContact O-N 3.44Å; Q803-L805 VanDerWaalsContact C-N 3.32Å; Q803-L805 PolarHBondContact O-N 2.77Å; L805-M807 VanDerWaalsContact C-N 3.33Å; L805-V808 PolarHBondContact O-N 3.14Å
806I96.5Very high93.7Very high0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-67-36177.6-70.6165.3000111M793 M802 Q803 V808 F809 A810 E842 W843 F850M793-I806 HydrophobicContact CE-CD1 4.15Å; M793-I806 HydrophobicContact CE-CG1 3.57Å; M793-I806 HydrophobicContact SD-CG1 4.49Å; M802-I806 HydrophobicContact CE-CD1 4.17Å; M802-I806 WeakPolarHBondContact O-CB 3.5Å; M802-I806 WeakPolarHBondContact O-CD1 3.45Å; M802-I806 WeakPolarHBondContact O-CG1 3.29Å; M802-I806 PolarHBondContact O-N 3.08Å; Q803-I806 PolarHBondContact O-N 3.46Å; I806-V808 PolarHBondContact O-N 3.41Å; I806-F809 WeakPolarHBondContact O-CB 3.43Å; I806-F809 PolarHBondContact O-N 2.9Å; I806-A810 PolarHBondContact O-N 2.64Å; I806-E842 HydrophobicContact CD1-CB 4.49Å; I806-W843 HydrophobicContact CD1-CB 4.29Å; I806-W843 HydrophobicContact CG2-CB 3.85Å; I806-W843 HydrophobicContact CG2-CD2 3.57Å; I806-W843 HydrophobicContact CG2-CE3 4.05Å; I806-W843 HydrophobicContact CG2-CG 3.47Å; I806-W843 VanDerWaalsContact CG2-CG 3.47Å; I806-F850 HydrophobicContact CB-CZ 4.3Å; I806-F850 HydrophobicContact CD1-CZ 3.85Å; I806-F850 HydrophobicContact CG2-CE2 4.12Å; I806-F850 HydrophobicContact CG2-CZ 4.11Å
807M95.2Very high93.7Very high8 Ų828.9 Ų28.94%0.03915%0.152CC..Hα-helixtrans-59.4-28.6178.1-75.8-48.691.600112.9Q803 S804 L805 F809 A810 H811 F850 E855Q803-M807 HydrophobicContact CG-CG 4.3Å; Q803-M807 WeakPolarHBondContact O-CB 3.46Å; Q803-M807 VanDerWaalsContact O-CG 3.3Å; Q803-M807 WeakPolarHBondContact O-CG 3.21Å; Q803-M807 PolarHBondContact O-N 2.87Å; S804-M807 PolarHBondContact O-N 3.05Å; L805-M807 VanDerWaalsContact C-N 3.33Å; M807-F809 VanDerWaalsContact C-N 3.32Å; M807-F809 PolarHBondContact O-N 3.18Å; M807-A810 HydrophobicContact CE-CB 4.03Å; M807-A810 PolarHBondContact O-N 3.21Å; M807-A810 HydrophobicContact SD-CB 4.16Å; M807-H811 PolarHBondContact O-N 3.17Å; M807-H811 PolarHBondContact O-ND1 3.19Å; M807-F850 HydrophobicContact CE-CD2 4.03Å; M807-F850 HydrophobicContact CE-CE2 3.72Å; M807-E855 HydrophobicContact CG-CB 4.34Å; M807-E855 HydrophobicContact CG-CG 4.02Å; M807-E855 HydrophobicContact SD-CB 4.12Å; M807-E855 HydrophobicContact SD-CG 4.39Å
808V95.6Very high93.9Very high0 Ų026.7 Ų26.70%014%0.142CC..Hα-helixtrans-60.9-43.4173-179.90000111.3V767 I771 L786 I789 L805 I806 L812V767-V808 HydrophobicContact CB-CG1 4.48Å; V767-V808 HydrophobicContact CB-CG2 4.06Å; V767-V808 HydrophobicContact CG1-CG1 3.61Å; V767-V808 HydrophobicContact CG1-CG2 4.08Å; I771-V808 HydrophobicContact CD1-CG1 3.97Å; L786-V808 HydrophobicContact CD2-CG1 4.13Å; I789-V808 HydrophobicContact CD1-CB 3.94Å; I789-V808 HydrophobicContact CD1-CG1 3.7Å; I789-V808 HydrophobicContact CD1-CG2 3.88Å; L805-V808 PolarHBondContact O-N 3.14Å; I806-V808 PolarHBondContact O-N 3.41Å; V808-L812 HydrophobicContact CG1-CD1 4.4Å; V808-L812 WeakPolarHBondContact O-CG 3.4Å; V808-L812 PolarHBondContact O-N 3.08Å
809F96.2Very high93.8Very high1 Ų128 Ų280%0.00415%0.152CC..Hα-helixtrans-68.8-38176.4-61.2-64.6000111.6L786 I789 L790 M793 I806 M807 L812 V813 L820 L824 V839L786-F809 HydrophobicContact CD2-CD1 4.44Å; L786-F809 HydrophobicContact CD2-CE1 3.93Å; I789-F809 HydrophobicContact CB-CZ 4.45Å; I789-F809 HydrophobicContact CG2-CE2 3.54Å; I789-F809 HydrophobicContact CG2-CZ 3.73Å; L790-F809 HydrophobicContact CD2-CE2 4.44Å; L790-F809 HydrophobicContact CD2-CZ 3.94Å; L790-F809 HydrophobicContact CG-CZ 4.11Å; M793-F809 HydrophobicContact SD-CD2 4.37Å; M793-F809 HydrophobicContact SD-CE2 3.63Å; I806-F809 WeakPolarHBondContact O-CB 3.43Å; I806-F809 PolarHBondContact O-N 2.9Å; M807-F809 VanDerWaalsContact C-N 3.32Å; M807-F809 PolarHBondContact O-N 3.18Å; F809-L812 PolarHBondContact O-N 3.32Å; F809-V813 WeakPolarHBondContact O-CG2 3.2Å; F809-V813 PolarHBondContact O-N 3.49Å; F809-L820 HydrophobicContact CD1-CD1 3.78Å; F809-L820 HydrophobicContact CE1-CD1 4.33Å; F809-L824 HydrophobicContact CD1-CD1 4.45Å; F809-L824 HydrophobicContact CE1-CD2 3.96Å; F809-L824 HydrophobicContact CZ-CD2 4.47Å; F809-V839 HydrophobicContact CB-CG1 4.36Å; F809-V839 HydrophobicContact CD2-CG1 3.78Å; F809-V839 HydrophobicContact CD2-CG2 4.37Å; F809-V839 HydrophobicContact CE2-CG1 4.28Å; F809-V839 HydrophobicContact CE2-CG2 4.05Å; F809-V839 HydrophobicContact CG-CG1 4.06Å; F809-V839 HydrophobicContact CZ-CG2 4.25Å
810A95.6Very high93.8Very high0 Ų025.9 Ų25.90%014%0.14CC..Hα-helixtrans-58.9-49.6174.500000111.3I806 M807 L812 V813 H814 W843 V858 A862I806-A810 PolarHBondContact O-N 2.64Å; M807-A810 HydrophobicContact CE-CB 4.03Å; M807-A810 PolarHBondContact O-N 3.21Å; M807-A810 HydrophobicContact SD-CB 4.16Å; A810-L812 VanDerWaalsContact C-N 3.29Å; A810-L812 PolarHBondContact O-N 2.76Å; A810-V813 WeakPolarHBondContact O-CB 3.49Å; A810-V813 PolarHBondContact O-N 3.17Å; A810-H814 PolarHBondContact O-CD2 3.4Å; A810-H814 PolarHBondContact O-N 2.71Å; A810-W843 HydrophobicContact CB-CH2 3.62Å; A810-W843 HydrophobicContact CB-CZ2 3.79Å; A810-W843 HydrophobicContact CB-CZ3 4.48Å; A810-V858 HydrophobicContact CB-CG1 3.96Å; A810-A862 HydrophobicContact CB-CB 4.09Å
811H94Very high93.9Very high35 Ų3524.2 Ų24.216%0.16213%0.129CC..Hα-helixtrans-59.7-37.4175-7289.7000112.7S768 M807 H814 T815 Y854S768-H811 PolarHBondContact OG-ND1 3.24Å; M807-H811 PolarHBondContact O-N 3.17Å; M807-H811 PolarHBondContact O-ND1 3.19Å; H811-H814 PolarHBondContact O-N 2.73Å; H811-T815 PolarHBondContact O-N 3.1Å; H811-T815 PolarHBondContact O-OG1 3.25Å; H811-Y854 AromaticContact NE2-CE1 3.79Å; H811-Y854 AromaticContact NE2-CZ 3.73Å; H811-Y854 PolarHBondContact NE2-OH 3.22Å
812L93.7Very high93.9Very high4 Ų430.9 Ų30.92%0.02116%0.16CC..Hα-helixtrans-68.1-31.1174.9-78.8171.8000113.3I771 L786 V808 F809 A810 H814 T815 Q816 L817 L820I771-L812 HydrophobicContact CD1-CD1 4.18Å; I771-L812 HydrophobicContact CD1-CD2 4.09Å; I771-L812 HydrophobicContact CD1-CG 4.08Å; I771-L812 HydrophobicContact CG2-CD2 3.85Å; L786-L812 HydrophobicContact CD1-CD1 3.95Å; L786-L812 HydrophobicContact CD2-CD1 3.56Å; L786-L812 HydrophobicContact CG-CD1 4.37Å; V808-L812 HydrophobicContact CG1-CD1 4.4Å; V808-L812 WeakPolarHBondContact O-CG 3.4Å; V808-L812 PolarHBondContact O-N 3.08Å; F809-L812 PolarHBondContact O-N 3.32Å; A810-L812 VanDerWaalsContact C-N 3.29Å; A810-L812 PolarHBondContact O-N 2.76Å; L812-H814 PolarHBondContact O-N 3.43Å; L812-T815 PolarHBondContact O-N 2.99Å; L812-Q816 CarbonylContact O-C 3.22Å; L812-Q816 VanDerWaalsContact O-C 3.27Å; L812-Q816 WeakPolarHBondContact O-CA 3.18Å; L812-Q816 PolarHBondContact O-N 2.93Å; L812-L817 PolarHBondContact O-N 3.1Å; L812-L820 HydrophobicContact CB-CD1 4.41Å; L812-L820 HydrophobicContact CB-CD2 3.87Å; L812-L820 HydrophobicContact CD1-CD1 4.19Å
813V95.3Very high93.8Very high5 Ų531.7 Ų31.73%0.0316%0.164CC..Hα-helixtrans-60.7-35170.9165.20000111F809 A810 L817 L820 A862 K865 L866F809-V813 WeakPolarHBondContact O-CG2 3.2Å; F809-V813 PolarHBondContact O-N 3.49Å; A810-V813 WeakPolarHBondContact O-CB 3.49Å; A810-V813 PolarHBondContact O-N 3.17Å; V813-L817 HydrophobicContact CB-CD1 4.44Å; V813-L817 HydrophobicContact CG1-CD1 4.16Å; V813-L817 HydrophobicContact CG2-CD1 4.1Å; V813-L820 HydrophobicContact CG2-CD2 3.78Å; V813-A862 HydrophobicContact CB-CB 4.04Å; V813-A862 HydrophobicContact CG1-CB 3.84Å; V813-A862 WeakPolarHBondContact CG1-O 3.33Å; V813-K865 HydrophobicContact CG1-CB 3.93Å; V813-K865 HydrophobicContact CG1-CD 4.41Å; V813-L866 HydrophobicContact CG1-CG 4.1Å; V813-L866 HydrophobicContact CG2-CD1 4.11Å; V813-L866 HydrophobicContact CG2-CD2 4.11Å; V813-L866 HydrophobicContact CG2-CG 4.08Å
814H93.1Very high93.7Very high35 Ų3531.5 Ų31.516%0.16216%0.163CC..Hα-helixtrans-71.1-32.3178-67.1-88.9000113.7A810 H811 L812 V858 V861 K865A810-H814 PolarHBondContact O-CD2 3.4Å; A810-H814 PolarHBondContact O-N 2.71Å; H811-H814 PolarHBondContact O-N 2.73Å; L812-H814 PolarHBondContact O-N 3.43Å; H814-V858 PolarHBondContact NE2-O 3.31Å; H814-V861 VanDerWaalsContact CE1-CG1 3.47Å; H814-V861 WeakPolarHBondContact CE1-CG1 3.35Å; H814-K865 PolarHBondContact ND1-NZ 3.21Å; H814-K865 PolarHBondContact O-NZ 3.3Å
815T89.6Confident93.6Very high92 Ų9232.8 Ų32.856%0.56417%0.171SC*.Hα-helixtrans-107.2-38.8-168.753.60000113.9H811 L812H811-T815 PolarHBondContact O-N 3.1Å; H811-T815 PolarHBondContact O-OG1 3.25Å; L812-T815 PolarHBondContact O-N 2.99Å
816Q89.8Confident93.4Very high71 Ų7136.7 Ų36.733%0.33220%0.198SC..Hα-helixtrans-144.754.8-171.4-58.5-173.529.300112.5L812 P819 L820L812-Q816 CarbonylContact O-C 3.22Å; L812-Q816 VanDerWaalsContact O-C 3.27Å; L812-Q816 WeakPolarHBondContact O-CA 3.18Å; L812-Q816 PolarHBondContact O-N 2.93Å; Q816-P819 HydrophobicContact CB-CG 4.34Å; Q816-P819 WeakPolarHBondContact O-CD 3.37Å; Q816-L820 VanDerWaalsContact O-CB 3.26Å; Q816-L820 WeakPolarHBondContact O-CB 3.16Å; Q816-L820 PolarHBondContact O-N 3.13Å
817L92.1Very high93.1Very high29 Ų2938 Ų3815%0.15221%0.205CC..Hα-helixtrans-56.2-55.5-175.9177.756.4000114.4L812 V813 L820 L821 L866 H869L812-L817 PolarHBondContact O-N 3.1Å; V813-L817 HydrophobicContact CB-CD1 4.44Å; V813-L817 HydrophobicContact CG1-CD1 4.16Å; V813-L817 HydrophobicContact CG2-CD1 4.1Å; L817-L820 WeakPolarHBondContact O-CB 3.16Å; L817-L820 PolarHBondContact O-N 3.29Å; L817-L821 HydrophobicContact CD1-CD1 3.93Å; L817-L821 HydrophobicContact CD1-CD2 4.45Å; L817-L821 HydrophobicContact CD1-CG 3.99Å; L817-L821 HydrophobicContact CG-CD1 4.25Å; L817-L821 WeakPolarHBondContact O-CG 3.19Å; L817-L821 PolarHBondContact O-N 3.42Å; L817-L866 HydrophobicContact CD1-CD2 3.7Å; L817-H869 HydrophobicContact CD2-CB 3.57Å
818E93.1Very high92.9Very high126 Ų12642.3 Ų42.359%0.58923%0.234SC*.Hα-helixtrans-62.5-48.3-176.8-75.1179.3-176.200113.2L820 L821 E822E818-L820 VanDerWaalsContact C-N 3.31Å; E818-L820 PolarHBondContact O-N 3.16Å; E818-L821 PolarHBondContact O-N 2.82Å; E818-E822 PolarHBondContact O-N 3.16Å
819P91.1Very high92.4Very high71 Ų7142.8 Ų42.846%0.46124%0.239SC..Hα-helixtrans-57.7-39.8173.4-26.434.6000113.5Q816 E822 F823Q816-P819 HydrophobicContact CB-CG 4.34Å; Q816-P819 WeakPolarHBondContact O-CD 3.37Å; P819-E822 PolarHBondContact O-N 3.21Å; P819-F823 WeakPolarHBondContact O-CB 3.36Å; P819-F823 PolarHBondContact O-N 3.49Å
820L93.1Very high91.8Very high9 Ų946.1 Ų46.15%0.04726%0.26CS..Hα-helixtrans-60.9-47.2177.1171.665.3000111.5F809 L812 V813 Q816 L817 E818 E822 F823 L824F809-L820 HydrophobicContact CD1-CD1 3.78Å; F809-L820 HydrophobicContact CE1-CD1 4.33Å; L812-L820 HydrophobicContact CB-CD1 4.41Å; L812-L820 HydrophobicContact CB-CD2 3.87Å; L812-L820 HydrophobicContact CD1-CD1 4.19Å; V813-L820 HydrophobicContact CG2-CD2 3.78Å; Q816-L820 VanDerWaalsContact O-CB 3.26Å; Q816-L820 WeakPolarHBondContact O-CB 3.16Å; Q816-L820 PolarHBondContact O-N 3.13Å; L817-L820 WeakPolarHBondContact O-CB 3.16Å; L817-L820 PolarHBondContact O-N 3.29Å; E818-L820 VanDerWaalsContact C-N 3.31Å; E818-L820 PolarHBondContact O-N 3.16Å; L820-E822 VanDerWaalsContact C-N 3.31Å; L820-E822 PolarHBondContact O-N 3.25Å; L820-F823 PolarHBondContact O-N 3.46Å; L820-L824 HydrophobicContact CD1-CD1 3.8Å; L820-L824 HydrophobicContact CD1-CG 3.92Å; L820-L824 HydrophobicContact CG-CD1 4.08Å; L820-L824 HydrophobicContact CG-CG 4.49Å; L820-L824 WeakPolarHBondContact O-CB 3.46Å; L820-L824 WeakPolarHBondContact O-CG 3.4Å; L820-L824 PolarHBondContact O-N 3.04Å
821L94.1Very high91.2Very high2 Ų251.3 Ų51.31%0.0129%0.292CS..Hα-helixtrans-64.3-37.5179.7-67.1177.9000111.8L817 E818 C825 L836 L866 R877 L878L817-L821 HydrophobicContact CD1-CD1 3.93Å; L817-L821 HydrophobicContact CD1-CD2 4.45Å; L817-L821 HydrophobicContact CD1-CG 3.99Å; L817-L821 HydrophobicContact CG-CD1 4.25Å; L817-L821 WeakPolarHBondContact O-CG 3.19Å; L817-L821 PolarHBondContact O-N 3.42Å; E818-L821 PolarHBondContact O-N 2.82Å; L821-C825 VanDerWaalsContact O-CB 3.32Å; L821-C825 WeakPolarHBondContact O-CB 3.34Å; L821-C825 PolarHBondContact O-N 2.78Å; L821-C825 VanDerWaalsContact O-N 3.12Å; L821-C825 PolarHBondContact O-SG 2.86Å; L821-L836 HydrophobicContact CD2-CD1 3.69Å; L821-L836 HydrophobicContact CD2-CD2 4.11Å; L821-L866 HydrophobicContact CD2-CD2 4.34Å; L821-R877 VanDerWaalsContact CB-CZ 3.5Å; L821-L878 HydrophobicContact CD1-CD1 4.26Å; L821-L878 HydrophobicContact CD2-CD2 4.04Å; L821-L878 HydrophobicContact CD2-CG 4.49Å
822E92.8Very high90.7Very high139 Ų13952.6 Ų52.665%0.6532%0.315SS*.Hα-helixtrans-66.1-45.5175.4-172.6171.3-171.900111.3E818 P819 L820 C825 S826 R877E818-E822 PolarHBondContact O-N 3.16Å; P819-E822 PolarHBondContact O-N 3.21Å; L820-E822 VanDerWaalsContact C-N 3.31Å; L820-E822 PolarHBondContact O-N 3.25Å; E822-C825 PolarHBondContact O-N 2.74Å; E822-S826 PolarHBondContact O-N 3.36Å; E822-R877 VanDerWaalsContact N-NH1 3.17Å
823F92.3Very high90.5Very high18 Ų1857.1 Ų57.18%0.07934%0.335CS..Hα-helixtrans-59.3-52.4176.8175-94.5000112.2D783 L786 R787 P819 L820 C825 S826 L827D783-F823 HydrophobicContact CB-CE2 3.91Å; D783-F823 VanDerWaalsContact CG-CE2 3.45Å; L786-F823 HydrophobicContact CB-CD1 4.33Å; L786-F823 HydrophobicContact CB-CE1 3.39Å; L786-F823 HydrophobicContact CB-CZ 3.58Å; L786-F823 HydrophobicContact CD1-CD1 3.92Å; L786-F823 HydrophobicContact CD1-CE1 3.8Å; L786-F823 HydrophobicContact CD1-CG 4.48Å; L786-F823 HydrophobicContact CD1-CZ 4.23Å; L786-F823 HydrophobicContact CG-CE1 4.25Å; R787-F823 HydrophobicContact CG-CZ 4.05Å; P819-F823 WeakPolarHBondContact O-CB 3.36Å; P819-F823 PolarHBondContact O-N 3.49Å; L820-F823 PolarHBondContact O-N 3.46Å; F823-C825 PolarHBondContact O-N 3.42Å; F823-S826 WeakPolarHBondContact O-CB 3.37Å; F823-S826 PolarHBondContact O-N 2.94Å; F823-S826 PolarHBondContact O-OG 3.12Å; F823-L827 HydrophobicContact CD1-CD1 4.29Å; F823-L827 HydrophobicContact CE1-CD1 3.57Å; F823-L827 HydrophobicContact CE2-CD1 3.96Å; F823-L827 HydrophobicContact CZ-CD1 3.41Å; F823-L827 VanDerWaalsContact CZ-CD1 3.41Å
824L93.8Very high90.3Very high3 Ų359.7 Ų59.72%0.01635%0.351CS..Hα-helixtrans-64.6-25.8179.8-71.2179000112.9L790 F809 L820 A835 L836 V839L790-L824 HydrophobicContact CD1-CD2 4.09Å; L790-L824 HydrophobicContact CD2-CD2 4.24Å; F809-L824 HydrophobicContact CD1-CD1 4.45Å; F809-L824 HydrophobicContact CE1-CD2 3.96Å; F809-L824 HydrophobicContact CZ-CD2 4.47Å; L820-L824 HydrophobicContact CD1-CD1 3.8Å; L820-L824 HydrophobicContact CD1-CG 3.92Å; L820-L824 HydrophobicContact CG-CD1 4.08Å; L820-L824 HydrophobicContact CG-CG 4.49Å; L820-L824 WeakPolarHBondContact O-CB 3.46Å; L820-L824 WeakPolarHBondContact O-CG 3.4Å; L820-L824 PolarHBondContact O-N 3.04Å; L824-A835 HydrophobicContact CD2-CB 4.43Å; L824-A835 WeakPolarHBondContact O-CB 3.19Å; L824-A835 PolarHBondContact O-N 2.95Å; L824-A835 VanDerWaalsContact O-N 3.12Å; L824-L836 HydrophobicContact CB-CB 3.83Å; L824-L836 HydrophobicContact CB-CD1 4.17Å; L824-L836 HydrophobicContact CD1-CD1 3.75Å; L824-L836 PolarHBondContact O-N 3.03Å; L824-L836 VanDerWaalsContact O-N 3.16Å; L824-V839 HydrophobicContact CD1-CG2 4.47Å; L824-V839 HydrophobicContact CD2-CG2 4.14Å
825C92.8Very high90.3Very high40 Ų4058.1 Ų58.127%0.2734%0.344SS..Hα-helixtrans-78.4-28.1173.8-73.50000113.5L821 E822 F823 L827 R877L821-C825 VanDerWaalsContact O-CB 3.32Å; L821-C825 WeakPolarHBondContact O-CB 3.34Å; L821-C825 PolarHBondContact O-N 2.78Å; L821-C825 VanDerWaalsContact O-N 3.12Å; L821-C825 PolarHBondContact O-SG 2.86Å; E822-C825 PolarHBondContact O-N 2.74Å; F823-C825 PolarHBondContact O-N 3.42Å; C825-L827 VanDerWaalsContact C-N 3.25Å; C825-L827 PolarHBondContact O-N 3.35Å; C825-R877 VanDerWaalsContact SG-CD 3.54Å
826S91.4Very high90.6Very high82 Ų8253.9 Ų53.957%0.57332%0.318SS*.Hα-helixtrans-72.7-18179.777.60000113.6E822 F823E822-S826 PolarHBondContact O-N 3.36Å; F823-S826 WeakPolarHBondContact O-CB 3.37Å; F823-S826 PolarHBondContact O-N 2.94Å; F823-S826 PolarHBondContact O-OG 3.12Å
827L91Very high90.8Very high28 Ų2852.3 Ų52.315%0.14731%0.311CS..SBendtrans-105.7141.6-175.8-62.4176.2000112R787 L790 F823 C825 P834 A835R787-L827 HydrophobicContact CG-CD1 3.73Å; R787-L827 HydrophobicContact CG-CD2 4.49Å; L790-L827 HydrophobicContact CD1-CD1 3.91Å; F823-L827 HydrophobicContact CD1-CD1 4.29Å; F823-L827 HydrophobicContact CE1-CD1 3.57Å; F823-L827 HydrophobicContact CE2-CD1 3.96Å; F823-L827 HydrophobicContact CZ-CD1 3.41Å; F823-L827 VanDerWaalsContact CZ-CD1 3.41Å; C825-L827 VanDerWaalsContact C-N 3.25Å; C825-L827 PolarHBondContact O-N 3.35Å; L827-P834 CarbonylContact O-C 3.58Å; L827-P834 WeakPolarHBondContact O-CA 3.48Å; L827-A835 HydrophobicContact CB-CB 4.06Å; L827-A835 PolarHBondContact O-N 3.49Å
828P89.4Confident90.9Very high99 Ų9952.1 Ų52.164%0.64331%0.309SS*.BIsolated β-bridgetrans-77.5132.817131.9-32.6000110.9
829G86.1Confident91Very high10 Ų1046.2 Ų46.210%0.10328%0.281CS..  trans-81.6-179.8165.400000112.6T831 G832 K833G829-T831 PolarHBondContact O-N 3.37Å; G829-G832 PolarHBondContact O-N 3.39Å; G829-K833 WeakPolarHBondContact CA-O 3.48Å; G829-K833 PolarHBondContact N-O 3.46Å
830P82.9Confident91.3Very high70 Ų7043.1 Ų43.146%0.45526%0.261SS..THydrogen-bonded Turntrans-63-26-172.923.3-33.4000114Q794 G832 F838Q794-P830 HydrophobicContact CG-CB 4.46Å; Q794-P830 HydrophobicContact CG-CG 4.37Å; P830-G832 VanDerWaalsContact C-N 3.33Å; P830-F838 HydrophobicContact CG-CB 4.42Å; P830-F838 HydrophobicContact CG-CD2 3.59Å; P830-F838 HydrophobicContact CG-CE2 3.99Å; P830-F838 HydrophobicContact CG-CG 3.99Å
831T83.2Confident91.3Very high109 Ų10944.1 Ų44.167%0.66927%0.271SS*.THydrogen-bonded Turntrans-88.72.5177.659.50000113.5G829 K833G829-T831 PolarHBondContact O-N 3.37Å; T831-K833 PolarHBondContact O-N 2.97Å
832G83.7Confident91.3Very high62 Ų6246.2 Ų46.264%0.63928%0.28SS*.SBendtrans80.1-7.9-173.500000114.5G829 P830G829-G832 PolarHBondContact O-N 3.39Å; P830-G832 VanDerWaalsContact C-N 3.33Å
833K88.7Confident91.5Very high100 Ų10039.7 Ų39.744%0.43525%0.249SC..SBendtrans-78167.8169.4-66.1-165.5-174.7178.60111.3G829 T831 E837G829-K833 WeakPolarHBondContact CA-O 3.48Å; G829-K833 PolarHBondContact N-O 3.46Å; T831-K833 PolarHBondContact O-N 2.97Å; K833-E837 WeakPolarHBondContact CD-OE1 3.47Å; K833-E837 WeakPolarHBondContact CD-OE2 3.47Å; K833-E837 VanDerWaalsContact NZ-CD 3.3Å; K833-E837 IonicContact NZ-OE1 3.44Å; K833-E837 PolarHBondContact NZ-OE1 3.46Å; K833-E837 IonicContact NZ-OE2 2.81Å; K833-E837 PolarHBondContact NZ-OE2 2.95Å; K833-E837 VanDerWaalsContact NZ-OE2 3.08Å
834P92.2Very high91.6Very high58 Ų5838.9 Ų38.938%0.37725%0.246SC..BIsolated β-bridgetrans-55.5143179.3-24.734.3000113.3L827 L836 E837L827-P834 CarbonylContact O-C 3.58Å; L827-P834 WeakPolarHBondContact O-CA 3.48Å; P834-L836 PolarHBondContact O-N 3.43Å; P834-L836 VanDerWaalsContact O-N 3.09Å; P834-E837 PolarHBondContact O-N 3.38Å
835A93.1Very high91.6Very high2 Ų241 Ų412%0.01726%0.262CS..Hα-helixtrans-59-24.2-179.600000112.7L790 L824 L827 E837 F838 V839L790-A835 HydrophobicContact CD1-CB 3.96Å; L790-A835 HydrophobicContact CD2-CB 4.35Å; L824-A835 HydrophobicContact CD2-CB 4.43Å; L824-A835 WeakPolarHBondContact O-CB 3.19Å; L824-A835 PolarHBondContact O-N 2.95Å; L824-A835 VanDerWaalsContact O-N 3.12Å; L827-A835 HydrophobicContact CB-CB 4.06Å; L827-A835 PolarHBondContact O-N 3.49Å; A835-E837 VanDerWaalsContact C-N 3.3Å; A835-E837 PolarHBondContact O-N 3Å; A835-F838 WeakPolarHBondContact O-CB 2.96Å; A835-F838 PolarHBondContact O-N 3.29Å; A835-F838 VanDerWaalsContact O-N 3.14Å; A835-V839 PolarHBondContact O-N 2.75Å
836L95.2Very high91.6Very high3 Ų341.5 Ų41.52%0.01626%0.258CS..Hα-helixtrans-53.6-43.6170.9-176.163.1000112.5L821 L824 P834 F838 V839 M840 R877 L878 I881L821-L836 HydrophobicContact CD2-CD1 3.69Å; L821-L836 HydrophobicContact CD2-CD2 4.11Å; L824-L836 HydrophobicContact CB-CB 3.83Å; L824-L836 HydrophobicContact CB-CD1 4.17Å; L824-L836 HydrophobicContact CD1-CD1 3.75Å; L824-L836 PolarHBondContact O-N 3.03Å; L824-L836 VanDerWaalsContact O-N 3.16Å; P834-L836 PolarHBondContact O-N 3.43Å; P834-L836 VanDerWaalsContact O-N 3.09Å; L836-F838 VanDerWaalsContact C-N 3.3Å; L836-F838 PolarHBondContact O-N 3.13Å; L836-V839 PolarHBondContact O-N 2.9Å; L836-M840 HydrophobicContact CD1-CG 4.01Å; L836-M840 HydrophobicContact CG-CG 4.37Å; L836-M840 WeakPolarHBondContact O-CB 3.5Å; L836-M840 VanDerWaalsContact O-CG 3.23Å; L836-M840 WeakPolarHBondContact O-CG 3.34Å; L836-M840 PolarHBondContact O-N 3.42Å; L836-R877 HydrophobicContact CD2-CB 3.95Å; L836-L878 HydrophobicContact CD1-CD2 4.44Å; L836-L878 HydrophobicContact CD2-CD2 4.11Å; L836-I881 HydrophobicContact CB-CD1 4.5Å; L836-I881 HydrophobicContact CD2-CD1 3.95Å; L836-I881 HydrophobicContact CG-CD1 3.79Å
837E94.1Very high91.7Very high38 Ų3838 Ų3818%0.17823%0.232CC..Hα-helixtrans-64.3-37.9178.8176.7166.6157.600111.4K833 P834 A835 A841 I881K833-E837 WeakPolarHBondContact CD-OE1 3.47Å; K833-E837 WeakPolarHBondContact CD-OE2 3.47Å; K833-E837 VanDerWaalsContact NZ-CD 3.3Å; K833-E837 IonicContact NZ-OE1 3.44Å; K833-E837 PolarHBondContact NZ-OE1 3.46Å; K833-E837 IonicContact NZ-OE2 2.81Å; K833-E837 PolarHBondContact NZ-OE2 2.95Å; K833-E837 VanDerWaalsContact NZ-OE2 3.08Å; P834-E837 PolarHBondContact O-N 3.38Å; A835-E837 VanDerWaalsContact C-N 3.3Å; A835-E837 PolarHBondContact O-N 3Å; E837-A841 WeakPolarHBondContact O-CB 3.27Å; E837-A841 PolarHBondContact O-N 3.19Å; E837-I881 HydrophobicContact CB-CD1 4.38Å; E837-I881 HydrophobicContact CB-CG1 4.28Å; E837-I881 HydrophobicContact CB-CG2 4.38Å; E837-I881 HydrophobicContact CG-CG2 4.01Å
838F94.5Very high91.7Very high26 Ų2641.1 Ų41.111%0.11425%0.246CC..Hα-helixtrans-65.3-53.8176.6171.4-112.6000111.7L790 M793 Q794 P830 A835 L836 M840 A841 E842L790-F838 HydrophobicContact CD2-CD1 4.32Å; M793-F838 HydrophobicContact CB-CE1 3.93Å; M793-F838 HydrophobicContact CB-CZ 4.12Å; M793-F838 HydrophobicContact CE-CE1 4.38Å; Q794-F838 HydrophobicContact CB-CZ 4.45Å; Q794-F838 HydrophobicContact CG-CE1 3.85Å; Q794-F838 HydrophobicContact CG-CE2 4.35Å; Q794-F838 HydrophobicContact CG-CZ 3.69Å; P830-F838 HydrophobicContact CG-CB 4.42Å; P830-F838 HydrophobicContact CG-CD2 3.59Å; P830-F838 HydrophobicContact CG-CE2 3.99Å; P830-F838 HydrophobicContact CG-CG 3.99Å; A835-F838 WeakPolarHBondContact O-CB 2.96Å; A835-F838 PolarHBondContact O-N 3.29Å; A835-F838 VanDerWaalsContact O-N 3.14Å; L836-F838 VanDerWaalsContact C-N 3.3Å; L836-F838 PolarHBondContact O-N 3.13Å; F838-M840 VanDerWaalsContact C-N 3.3Å; F838-M840 PolarHBondContact O-N 3.05Å; F838-A841 PolarHBondContact O-N 2.97Å; F838-E842 HydrophobicContact CD2-CG 3.81Å; F838-E842 HydrophobicContact CE2-CG 3.43Å; F838-E842 VanDerWaalsContact CE2-CG 3.43Å; F838-E842 HydrophobicContact CG-CG 4.5Å; F838-E842 HydrophobicContact CZ-CG 3.84Å; F838-E842 WeakPolarHBondContact O-CG 3.41Å; F838-E842 PolarHBondContact O-N 2.88Å
839V95.6Very high91.7Very high2 Ų240.6 Ų40.61%0.01224%0.237CC..Hα-helixtrans-57.6-45.3179.7175.20000111L790 F809 L824 A835 L836 E842 W843L790-V839 HydrophobicContact CD2-CG2 3.38Å; F809-V839 HydrophobicContact CB-CG1 4.36Å; F809-V839 HydrophobicContact CD2-CG1 3.78Å; F809-V839 HydrophobicContact CD2-CG2 4.37Å; F809-V839 HydrophobicContact CE2-CG1 4.28Å; F809-V839 HydrophobicContact CE2-CG2 4.05Å; F809-V839 HydrophobicContact CG-CG1 4.06Å; F809-V839 HydrophobicContact CZ-CG2 4.25Å; L824-V839 HydrophobicContact CD1-CG2 4.47Å; L824-V839 HydrophobicContact CD2-CG2 4.14Å; A835-V839 PolarHBondContact O-N 2.75Å; L836-V839 PolarHBondContact O-N 2.9Å; V839-E842 PolarHBondContact O-N 3.28Å; V839-W843 WeakPolarHBondContact O-CB 3.37Å; V839-W843 PolarHBondContact O-N 2.81Å
840M96.1Very high91.9Very high5 Ų541.4 Ų41.43%0.02524%0.238CC..Hα-helixtrans-68.5-37-179.6-66.9-50.8-53.500112.8L836 F838 W843 T844 L866 L913 I917L836-M840 HydrophobicContact CD1-CG 4.01Å; L836-M840 HydrophobicContact CG-CG 4.37Å; L836-M840 WeakPolarHBondContact O-CB 3.5Å; L836-M840 VanDerWaalsContact O-CG 3.23Å; L836-M840 WeakPolarHBondContact O-CG 3.34Å; L836-M840 PolarHBondContact O-N 3.42Å; F838-M840 VanDerWaalsContact C-N 3.3Å; F838-M840 PolarHBondContact O-N 3.05Å; M840-W843 HydrophobicContact CE-CE3 4.49Å; M840-W843 HydrophobicContact SD-CE3 4.19Å; M840-T844 HydrophobicContact CE-CG2 4.15Å; M840-T844 WeakPolarHBondContact O-CB 3.35Å; M840-T844 WeakPolarHBondContact O-CG2 3.39Å; M840-T844 PolarHBondContact O-N 2.81Å; M840-T844 PolarHBondContact O-OG1 3.24Å; M840-L866 HydrophobicContact CE-CD1 3.93Å; M840-L866 HydrophobicContact SD-CD1 4.13Å; M840-L913 HydrophobicContact CB-CD1 3.86Å; M840-L913 HydrophobicContact CB-CD2 3.83Å; M840-L913 HydrophobicContact CE-CD1 3.85Å; M840-L913 HydrophobicContact CE-CD2 4.06Å; M840-L913 HydrophobicContact CE-CG 4.37Å; M840-L913 HydrophobicContact CG-CD1 4.49Å; M840-L913 HydrophobicContact CG-CD2 3.75Å; M840-I917 HydrophobicContact CE-CD1 3.92Å
841A93.5Very high92.2Very high31 Ų3144.4 Ų44.426%0.25624%0.241SC..Hα-helixtrans-66.7-42.5175.600000111.9E837 F838 S845 V883E837-A841 WeakPolarHBondContact O-CB 3.27Å; E837-A841 PolarHBondContact O-N 3.19Å; F838-A841 PolarHBondContact O-N 2.97Å; A841-S845 WeakPolarHBondContact O-CB 3.31Å; A841-S845 PolarHBondContact O-N 3.1Å; A841-S845 VanDerWaalsContact O-N 3.14Å; A841-S845 PolarHBondContact O-OG 3.47Å; A841-V883 HydrophobicContact CB-CG1 4.3Å
842E94.4Very high92.4Very high45 Ų4541.1 Ų41.121%0.2123%0.229CC..Hα-helixtrans-69.8-38.7178.7-65.4-56.6119.100112.1M793 M802 I806 F838 V839 S845 R846M793-E842 HydrophobicContact CE-CB 4.28Å; M802-E842 HydrophobicContact CE-CB 3.66Å; M802-E842 HydrophobicContact CE-CG 3.91Å; M802-E842 WeakPolarHBondContact CE-OE2 3.22Å; I806-E842 HydrophobicContact CD1-CB 4.49Å; F838-E842 HydrophobicContact CD2-CG 3.81Å; F838-E842 HydrophobicContact CE2-CG 3.43Å; F838-E842 VanDerWaalsContact CE2-CG 3.43Å; F838-E842 HydrophobicContact CG-CG 4.5Å; F838-E842 HydrophobicContact CZ-CG 3.84Å; F838-E842 WeakPolarHBondContact O-CG 3.41Å; F838-E842 PolarHBondContact O-N 2.88Å; V839-E842 PolarHBondContact O-N 3.28Å; E842-S845 PolarHBondContact O-OG 2.96Å; E842-S845 VanDerWaalsContact O-OG 3.04Å; E842-R846 PolarHBondContact O-NH1 3.08Å; E842-R846 VanDerWaalsContact O-NH1 3.08Å; E842-R846 IonicContact OE2-CZ 2.72Å; E842-R846 IonicContact OE2-NH1 2.67Å; E842-R846 PolarHBondContact OE2-NH1 2.97Å; E842-R846 IonicContact OE2-NH2 3.01Å; E842-R846 PolarHBondContact OE2-NH2 3.37Å
843W96.6Very high92.5Very high2 Ų241.8 Ų41.81%0.00822%0.215CC..Hα-helixtrans-68.5-54.9176.8-174.5-2.1000111.7I806 A810 V839 M840 S845 R846 Q847 F850 S859 A862 L863 L866I806-W843 HydrophobicContact CD1-CB 4.29Å; I806-W843 HydrophobicContact CG2-CB 3.85Å; I806-W843 HydrophobicContact CG2-CD2 3.57Å; I806-W843 HydrophobicContact CG2-CE3 4.05Å; I806-W843 HydrophobicContact CG2-CG 3.47Å; I806-W843 VanDerWaalsContact CG2-CG 3.47Å; A810-W843 HydrophobicContact CB-CH2 3.62Å; A810-W843 HydrophobicContact CB-CZ2 3.79Å; A810-W843 HydrophobicContact CB-CZ3 4.48Å; V839-W843 WeakPolarHBondContact O-CB 3.37Å; V839-W843 PolarHBondContact O-N 2.81Å; M840-W843 HydrophobicContact CE-CE3 4.49Å; M840-W843 HydrophobicContact SD-CE3 4.19Å; W843-S845 PolarHBondContact O-N 3.01Å; W843-R846 PolarHBondContact O-N 3.06Å; W843-R846 VanDerWaalsContact O-N 3.11Å; W843-Q847 PolarHBondContact O-N 3.48Å; W843-F850 AromaticContact CD1-CE2 3.66Å; W843-F850 AromaticContact NE1-CE2 3.84Å; W843-S859 WeakPolarHBondContact CZ2-OG 3.43Å; W843-S859 PolarHBondContact NE1-OG 3.18Å; W843-A862 HydrophobicContact CH2-CB 3.79Å; W843-A862 HydrophobicContact CZ2-CB 4.13Å; W843-L863 HydrophobicContact CD2-CD2 4.46Å; W843-L863 HydrophobicContact CZ2-CD2 4.12Å; W843-L863 HydrophobicContact CZ2-CG 4.02Å; W843-L866 HydrophobicContact CH2-CD1 4.16Å; W843-L866 HydrophobicContact CZ3-CD1 3.96Å
844T95.7Very high92.6Very high2 Ų238 Ų381%0.01220%0.198CC..Hα-helixtrans-70.1-19.1-176.158.90000114M840 L913 K916 I917 L920M840-T844 HydrophobicContact CE-CG2 4.15Å; M840-T844 WeakPolarHBondContact O-CB 3.35Å; M840-T844 WeakPolarHBondContact O-CG2 3.39Å; M840-T844 PolarHBondContact O-N 2.81Å; M840-T844 PolarHBondContact O-OG1 3.24Å; T844-L913 HydrophobicContact CG2-CD1 3.8Å; T844-K916 HydrophobicContact CG2-CG 4.4Å; T844-K916 VanDerWaalsContact O-CE 3.32Å; T844-K916 WeakPolarHBondContact O-CE 3.29Å; T844-I917 HydrophobicContact CG2-CG1 4.19Å; T844-L920 HydrophobicContact CG2-CD1 3.87Å
845S93.1Very high92.6Very high48 Ų4836.2 Ų36.234%0.33619%0.185SC..Hα-helixtrans-77.5-25.4173.161.80000113.2A841 E842 W843 H848A841-S845 WeakPolarHBondContact O-CB 3.31Å; A841-S845 PolarHBondContact O-N 3.1Å; A841-S845 VanDerWaalsContact O-N 3.14Å; A841-S845 PolarHBondContact O-OG 3.47Å; E842-S845 PolarHBondContact O-OG 2.96Å; E842-S845 VanDerWaalsContact O-OG 3.04Å; W843-S845 PolarHBondContact O-N 3.01Å; S845-H848 PolarHBondContact O-CE1 3.39Å
846R93.1Very high92.5Very high50 Ų5036.7 Ų36.719%0.18919%0.19CC..Hα-helixtrans-114.7-6.6-175.9-65.9-177.2-170.478.6-9.1115.2L799 E842 W843 H848 L849 F850L799-R846 HydrophobicContact CD1-CB 4.06Å; L799-R846 HydrophobicContact CD1-CG 4.28Å; E842-R846 PolarHBondContact O-NH1 3.08Å; E842-R846 VanDerWaalsContact O-NH1 3.08Å; E842-R846 IonicContact OE2-CZ 2.72Å; E842-R846 IonicContact OE2-NH1 2.67Å; E842-R846 PolarHBondContact OE2-NH1 2.97Å; E842-R846 IonicContact OE2-NH2 3.01Å; E842-R846 PolarHBondContact OE2-NH2 3.37Å; W843-R846 PolarHBondContact O-N 3.06Å; W843-R846 VanDerWaalsContact O-N 3.11Å; R846-H848 PolarHBondContact O-N 3.17Å; R846-H848 VanDerWaalsContact O-N 3.12Å; R846-L849 WeakPolarHBondContact O-CA 3.45Å; R846-L849 WeakPolarHBondContact O-CB 3.36Å; R846-L849 PolarHBondContact O-N 3.1Å; R846-F850 HydrophobicContact CB-CD1 4.48Å; R846-F850 HydrophobicContact CB-CE1 3.82Å; R846-F850 HydrophobicContact CB-CZ 4.38Å; R846-F850 PolarHBondContact O-N 2.84Å
847Q93.4Very high92.4Very high7 Ų737.7 Ų37.73%0.03320%0.195CC..G310 helixtrans-49.1-43.2-176.1173.860.223.200113.9W843 L849 F850 S859 L863 L920W843-Q847 PolarHBondContact O-N 3.48Å; Q847-L849 PolarHBondContact O-N 3.35Å; Q847-F850 PolarHBondContact O-N 3.15Å; Q847-F850 VanDerWaalsContact OE1-CD2 3.25Å; Q847-S859 PolarHBondContact NE2-OG 3.43Å; Q847-S859 PolarHBondContact OE1-OG 3.42Å; Q847-L863 HydrophobicContact CG-CD1 3.76Å; Q847-L920 HydrophobicContact CB-CD1 3.89Å; Q847-L920 HydrophobicContact CB-CD2 3.97Å; Q847-L920 HydrophobicContact CB-CG 4.45Å; Q847-L920 HydrophobicContact CG-CB 4.39Å; Q847-L920 HydrophobicContact CG-CD1 4.19Å; Q847-L920 HydrophobicContact CG-CD2 4.19Å; Q847-L920 HydrophobicContact CG-CG 4.49Å
848H90.2Very high92.5Very high95 Ų9535.9 Ų35.944%0.4419%0.186SC..G310 helixtrans-70.6-718066.1-76.8000114.2S845 R846S845-H848 PolarHBondContact O-CE1 3.39Å; R846-H848 PolarHBondContact O-N 3.17Å; R846-H848 VanDerWaalsContact O-N 3.12Å
849L90.8Very high92.6Very high88 Ų8834.7 Ų34.746%0.46118%0.181SC..G310 helixtrans-105.1-7.3177.1-53.7175.1000112.1L799 R846 Q847L799-L849 HydrophobicContact CD1-CB 4.08Å; L799-L849 HydrophobicContact CD2-CB 3.75Å; L799-L849 WeakPolarHBondContact CD2-O 3.47Å; R846-L849 WeakPolarHBondContact O-CA 3.45Å; R846-L849 WeakPolarHBondContact O-CB 3.36Å; R846-L849 PolarHBondContact O-N 3.1Å; Q847-L849 PolarHBondContact O-N 3.35Å
850F90.7Very high92.6Very high27 Ų2734.7 Ų34.712%0.11818%0.181CC..  trans-68.2146.1178.6-68.8-11000110.8L799 Q803 I806 M807 W843 R846 Q847L799-F850 HydrophobicContact CD1-CD1 4.14Å; L799-F850 HydrophobicContact CD1-CE1 4.17Å; Q803-F850 HydrophobicContact CB-CD1 3.82Å; Q803-F850 HydrophobicContact CB-CE1 3.8Å; Q803-F850 HydrophobicContact CB-CG 4.43Å; Q803-F850 HydrophobicContact CB-CZ 4.37Å; Q803-F850 HydrophobicContact CG-CB 4.35Å; Q803-F850 HydrophobicContact CG-CD1 3.8Å; Q803-F850 HydrophobicContact CG-CD2 4.25Å; Q803-F850 HydrophobicContact CG-CE1 4.1Å; Q803-F850 HydrophobicContact CG-CG 3.89Å; Q803-F850 HydrophobicContact CG-CZ 4.45Å; I806-F850 HydrophobicContact CB-CZ 4.3Å; I806-F850 HydrophobicContact CD1-CZ 3.85Å; I806-F850 HydrophobicContact CG2-CE2 4.12Å; I806-F850 HydrophobicContact CG2-CZ 4.11Å; M807-F850 HydrophobicContact CE-CD2 4.03Å; M807-F850 HydrophobicContact CE-CE2 3.72Å; W843-F850 AromaticContact CD1-CE2 3.66Å; W843-F850 AromaticContact NE1-CE2 3.84Å; R846-F850 HydrophobicContact CB-CD1 4.48Å; R846-F850 HydrophobicContact CB-CE1 3.82Å; R846-F850 HydrophobicContact CB-CZ 4.38Å; R846-F850 PolarHBondContact O-N 2.84Å; Q847-F850 PolarHBondContact O-N 3.15Å; Q847-F850 VanDerWaalsContact OE1-CD2 3.25Å
851Y87.5Confident92.6Very high132 Ų13234.6 Ų34.652%0.51818%0.181SC..  trans-127.1162.8-176.256.1-92000111.2S800 Q803S800-Y851 WeakPolarHBondContact CA-OH 3.37Å; S800-Y851 WeakPolarHBondContact CB-OH 3.22Å; Q803-Y851 PolarHBondContact NE2-O 2.98Å
852G87.6Confident92.8Very high40 Ų4033.1 Ų33.141%0.41217%0.169SC..  trans97.3129.5-175.400000112.5Y854 G856G852-Y854 PolarHBondContact O-N 3.45Å; G852-G856 PolarHBondContact O-N 2.86Å
853Q86.4Confident92.9Very high77 Ų7731.1 Ų31.136%0.3616%0.159SC..Hα-helixtrans-64.8-41-174.8-167.3-173.729.800111.8K857 Y1000Q853-K857 WeakPolarHBondContact O-CG 3.22Å; Q853-K857 PolarHBondContact O-N 3.48Å; Q853-Y1000 HydrophobicContact CG-CE2 4.48Å; Q853-Y1000 PolarHBondContact OE1-OH 2.88Å; Q853-Y1000 VanDerWaalsContact OE1-OH 3.11Å
854Y91.2Very high93Very high20 Ų2031 Ų318%0.07816%0.159CC..Hα-helixtrans-70-52.3177.7174-110.2000112H811 G852 G856 K857 V858 E989 A994 D997 L999 Y1000H811-Y854 AromaticContact NE2-CE1 3.79Å; H811-Y854 AromaticContact NE2-CZ 3.73Å; H811-Y854 PolarHBondContact NE2-OH 3.22Å; G852-Y854 PolarHBondContact O-N 3.45Å; Y854-G856 VanDerWaalsContact C-N 3.29Å; Y854-G856 PolarHBondContact O-N 2.86Å; Y854-K857 PolarHBondContact O-N 3.15Å; Y854-K857 VanDerWaalsContact O-N 3.12Å; Y854-V858 HydrophobicContact CD1-CG2 4.31Å; Y854-V858 HydrophobicContact CD2-CG2 4.09Å; Y854-V858 HydrophobicContact CE1-CG2 3.82Å; Y854-V858 HydrophobicContact CE2-CG2 3.58Å; Y854-V858 HydrophobicContact CG-CG2 4.42Å; Y854-V858 VanDerWaalsContact CZ-CG2 3.43Å; Y854-V858 WeakPolarHBondContact O-CG2 3.34Å; Y854-V858 PolarHBondContact O-N 3.37Å; Y854-E989 VanDerWaalsContact CB-OE2 3.25Å; Y854-E989 WeakPolarHBondContact CB-OE2 3.39Å; Y854-A994 HydrophobicContact CD1-CB 3.74Å; Y854-A994 HydrophobicContact CD2-CB 3.93Å; Y854-A994 HydrophobicContact CE1-CB 4.16Å; Y854-A994 HydrophobicContact CE2-CB 4.33Å; Y854-A994 HydrophobicContact CG-CB 3.62Å; Y854-D997 HydrophobicContact CE2-CB 3.74Å; Y854-D997 PolarHBondContact OH-OD2 3.41Å; Y854-L999 HydrophobicContact CE2-CB 4.45Å; Y854-Y1000 HydrophobicContact CD2-CD2 4.25Å
855E91.8Very high93Very high20 Ų2034.1 Ų34.19%0.09317%0.172CC..Hα-helixtrans-60.1-38.6-179.8-71.683.6172.800112.1R765 M807 V858 S859R765-E855 IonicContact CZ-OE1 3.94Å; R765-E855 IonicContact NE-OE1 3.45Å; R765-E855 PolarHBondContact NE-OE1 3.01Å; R765-E855 IonicContact NH2-OE1 3.53Å; R765-E855 PolarHBondContact NH2-OE1 3.48Å; M807-E855 HydrophobicContact CG-CB 4.34Å; M807-E855 HydrophobicContact CG-CG 4.02Å; M807-E855 HydrophobicContact SD-CB 4.12Å; M807-E855 HydrophobicContact SD-CG 4.39Å; E855-V858 PolarHBondContact O-N 2.65Å; E855-S859 VanDerWaalsContact O-CB 3.27Å; E855-S859 WeakPolarHBondContact O-CB 3.43Å; E855-S859 PolarHBondContact O-N 2.86Å
856G91.2Very high93.1Very high12 Ų1232 Ų3212%0.12416%0.157CC..Hα-helixtrans-56.8-50.7172.500000111.9G852 Y854 V858 S859 S860G852-G856 PolarHBondContact O-N 2.86Å; Y854-G856 VanDerWaalsContact C-N 3.29Å; Y854-G856 PolarHBondContact O-N 2.86Å; G856-V858 PolarHBondContact O-N 3.27Å; G856-S859 PolarHBondContact O-N 2.92Å; G856-S860 VanDerWaalsContact O-CB 3.26Å; G856-S860 WeakPolarHBondContact O-CB 3.34Å; G856-S860 PolarHBondContact O-N 3.23Å; G856-S860 PolarHBondContact O-OG 3.33Å
857K93.8Very high93.2Very high25 Ų2529.6 Ų29.611%0.10915%0.148CC..Hα-helixtrans-60.4-47.7176.8-71.9-179.6-169.6-166.80112.4Q853 Y854 S859 V861 Y1000 I1002 L1004Q853-K857 WeakPolarHBondContact O-CG 3.22Å; Q853-K857 PolarHBondContact O-N 3.48Å; Y854-K857 PolarHBondContact O-N 3.15Å; Y854-K857 VanDerWaalsContact O-N 3.12Å; K857-S859 PolarHBondContact O-N 3.13Å; K857-V861 VanDerWaalsContact O-CB 3.32Å; K857-V861 WeakPolarHBondContact O-CB 3.34Å; K857-V861 WeakPolarHBondContact O-CG2 3.37Å; K857-V861 PolarHBondContact O-N 2.91Å; K857-Y1000 PolarHBondContact NZ-O 3.09Å; K857-I1002 WeakPolarHBondContact CE-O 3.23Å; K857-I1002 PolarHBondContact NZ-O 3.41Å; K857-L1004 HydrophobicContact CG-CB 4.36Å; K857-L1004 HydrophobicContact CG-CD2 4.12Å
858V95Very high93.3Very high0 Ų032.3 Ų32.30%016%0.161CC..Hα-helixtrans-58.1-50.9178.8174.40000110.2A810 H814 Y854 E855 G856 A862 L999A810-V858 HydrophobicContact CB-CG1 3.96Å; H814-V858 PolarHBondContact NE2-O 3.31Å; Y854-V858 HydrophobicContact CD1-CG2 4.31Å; Y854-V858 HydrophobicContact CD2-CG2 4.09Å; Y854-V858 HydrophobicContact CE1-CG2 3.82Å; Y854-V858 HydrophobicContact CE2-CG2 3.58Å; Y854-V858 HydrophobicContact CG-CG2 4.42Å; Y854-V858 VanDerWaalsContact CZ-CG2 3.43Å; Y854-V858 WeakPolarHBondContact O-CG2 3.34Å; Y854-V858 PolarHBondContact O-N 3.37Å; E855-V858 PolarHBondContact O-N 2.65Å; G856-V858 PolarHBondContact O-N 3.27Å; V858-A862 VanDerWaalsContact O-CB 3.23Å; V858-A862 WeakPolarHBondContact O-CB 3.42Å; V858-A862 PolarHBondContact O-N 2.66Å; V858-L999 HydrophobicContact CG2-CB 4.46Å; V858-L999 HydrophobicContact CG2-CD1 3.94Å
859S96.5Very high93.4Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-63.1-48.3-177.2-165.80000112.4W843 Q847 E855 G856 K857 V861 A862 L863W843-S859 WeakPolarHBondContact CZ2-OG 3.43Å; W843-S859 PolarHBondContact NE1-OG 3.18Å; Q847-S859 PolarHBondContact NE2-OG 3.43Å; Q847-S859 PolarHBondContact OE1-OG 3.42Å; E855-S859 VanDerWaalsContact O-CB 3.27Å; E855-S859 WeakPolarHBondContact O-CB 3.43Å; E855-S859 PolarHBondContact O-N 2.86Å; G856-S859 PolarHBondContact O-N 2.92Å; K857-S859 PolarHBondContact O-N 3.13Å; S859-V861 PolarHBondContact O-N 3.05Å; S859-A862 WeakPolarHBondContact O-CB 3.41Å; S859-A862 PolarHBondContact O-N 2.88Å; S859-L863 WeakPolarHBondContact O-CG 3.5Å; S859-L863 PolarHBondContact O-N 3.21Å
860S95.8Very high93.5Very high2 Ų224.9 Ų24.91%0.01412%0.123CC..Hα-helixtrans-66.1-40.7-177-64.40000112.2G856 L863 C864 E924G856-S860 VanDerWaalsContact O-CB 3.26Å; G856-S860 WeakPolarHBondContact O-CB 3.34Å; G856-S860 PolarHBondContact O-N 3.23Å; G856-S860 PolarHBondContact O-OG 3.33Å; S860-L863 PolarHBondContact O-N 2.99Å; S860-C864 PolarHBondContact O-N 3.37Å; S860-C864 PolarHBondContact O-SG 3.46Å; S860-E924 WeakPolarHBondContact OG-CG 3.37Å; S860-E924 PolarHBondContact OG-OE1 3.07Å
861V96.6Very high93.4Very high4 Ų425.1 Ų25.12%0.02413%0.126CC..Hα-helixtrans-69.9-36.1174.7177.50000111.3H814 K857 S859 C864 K865 L999 I1002 L1004 Y1007H814-V861 VanDerWaalsContact CE1-CG1 3.47Å; H814-V861 WeakPolarHBondContact CE1-CG1 3.35Å; K857-V861 VanDerWaalsContact O-CB 3.32Å; K857-V861 WeakPolarHBondContact O-CB 3.34Å; K857-V861 WeakPolarHBondContact O-CG2 3.37Å; K857-V861 PolarHBondContact O-N 2.91Å; S859-V861 PolarHBondContact O-N 3.05Å; V861-C864 WeakPolarHBondContact O-CB 3.41Å; V861-C864 PolarHBondContact O-N 2.92Å; V861-K865 PolarHBondContact O-N 2.93Å; V861-L999 HydrophobicContact CG1-CD2 4.17Å; V861-I1002 HydrophobicContact CG2-CD1 4.39Å; V861-L1004 HydrophobicContact CG2-CD1 4.37Å; V861-Y1007 HydrophobicContact CB-CE1 4.31Å; V861-Y1007 HydrophobicContact CG1-CE1 4.16Å; V861-Y1007 HydrophobicContact CG2-CD1 4.02Å; V861-Y1007 HydrophobicContact CG2-CE1 3.82Å
862A97.1Very high93.6Very high0 Ų024.4 Ų24.40%013%0.131CC..Hα-helixtrans-63.2-42.3173.400000112A810 V813 W843 V858 S859 C864 K865 L866A810-A862 HydrophobicContact CB-CB 4.09Å; V813-A862 HydrophobicContact CB-CB 4.04Å; V813-A862 HydrophobicContact CG1-CB 3.84Å; V813-A862 WeakPolarHBondContact CG1-O 3.33Å; W843-A862 HydrophobicContact CH2-CB 3.79Å; W843-A862 HydrophobicContact CZ2-CB 4.13Å; V858-A862 VanDerWaalsContact O-CB 3.23Å; V858-A862 WeakPolarHBondContact O-CB 3.42Å; V858-A862 PolarHBondContact O-N 2.66Å; S859-A862 WeakPolarHBondContact O-CB 3.41Å; S859-A862 PolarHBondContact O-N 2.88Å; A862-C864 VanDerWaalsContact C-N 3.33Å; A862-C864 PolarHBondContact O-N 3.36Å; A862-K865 WeakPolarHBondContact O-CB 3.27Å; A862-K865 PolarHBondContact O-N 3.26Å; A862-L866 PolarHBondContact O-N 3.02Å
863L97.7Very high93.6Very high2 Ų225.1 Ų25.11%0.0113%0.133CC..Hα-helixtrans-61.1-40.8174.6-74.5176.1000112W843 Q847 S859 S860 K865 L866 L867 I917 I921W843-L863 HydrophobicContact CD2-CD2 4.46Å; W843-L863 HydrophobicContact CZ2-CD2 4.12Å; W843-L863 HydrophobicContact CZ2-CG 4.02Å; Q847-L863 HydrophobicContact CG-CD1 3.76Å; S859-L863 WeakPolarHBondContact O-CG 3.5Å; S859-L863 PolarHBondContact O-N 3.21Å; S860-L863 PolarHBondContact O-N 2.99Å; L863-K865 PolarHBondContact O-N 3.01Å; L863-L866 HydrophobicContact CD2-CD1 4.41Å; L863-L866 PolarHBondContact O-N 3.33Å; L863-L867 PolarHBondContact O-N 2.96Å; L863-I917 HydrophobicContact CB-CG2 3.99Å; L863-I917 HydrophobicContact CD2-CD1 4.4Å; L863-I917 HydrophobicContact CD2-CG1 4.12Å; L863-I917 HydrophobicContact CD2-CG2 4.23Å; L863-I917 WeakPolarHBondContact O-CG2 3.46Å; L863-I921 HydrophobicContact CB-CG1 4.47Å
864C97Very high93.7Very high0 Ų026.1 Ų26.10%014%0.141CC..Hα-helixtrans-58-46.3172.5-70.80000112S860 V861 A862 L867 Q868 Y1007 F1011S860-C864 PolarHBondContact O-N 3.37Å; S860-C864 PolarHBondContact O-SG 3.46Å; V861-C864 WeakPolarHBondContact O-CB 3.41Å; V861-C864 PolarHBondContact O-N 2.92Å; A862-C864 VanDerWaalsContact C-N 3.33Å; A862-C864 PolarHBondContact O-N 3.36Å; C864-L867 PolarHBondContact O-N 2.95Å; C864-Q868 PolarHBondContact O-N 3.35Å; C864-Y1007 HydrophobicContact CB-CE1 4.04Å; C864-F1011 HydrophobicContact CB-CD2 3.69Å; C864-F1011 HydrophobicContact CB-CE1 4.32Å; C864-F1011 HydrophobicContact CB-CE2 3.39Å; C864-F1011 HydrophobicContact CB-CG 4.25Å; C864-F1011 HydrophobicContact CB-CZ 3.77Å; C864-F1011 VanDerWaalsContact O-CE2 3.3Å; C864-F1011 WeakPolarHBondContact O-CE2 3.32Å; C864-F1011 WeakPolarHBondContact O-CZ 3.29Å
865K96.2Very high93.6Very high68 Ų6825.9 Ų25.930%0.29614%0.141SC..Hα-helixtrans-63.5-41.3176.8-74.3-177.2174.1-175.20112.5V813 H814 V861 A862 L863 Q868 H869V813-K865 HydrophobicContact CG1-CB 3.93Å; V813-K865 HydrophobicContact CG1-CD 4.41Å; H814-K865 PolarHBondContact ND1-NZ 3.21Å; H814-K865 PolarHBondContact O-NZ 3.3Å; V861-K865 PolarHBondContact O-N 2.93Å; A862-K865 WeakPolarHBondContact O-CB 3.27Å; A862-K865 PolarHBondContact O-N 3.26Å; L863-K865 PolarHBondContact O-N 3.01Å; K865-Q868 PolarHBondContact O-N 2.91Å; K865-H869 VanDerWaalsContact O-CB 3.29Å; K865-H869 WeakPolarHBondContact O-CB 3.41Å; K865-H869 PolarHBondContact O-N 3.49Å
866L96.6Very high93.5Very high3 Ų331.4 Ų31.42%0.01617%0.165CC..Hα-helixtrans-62.4-42.5176.7-77.8167.1000111.9V813 L817 L821 M840 W843 A862 L863 G870 L878 I917V813-L866 HydrophobicContact CG1-CG 4.1Å; V813-L866 HydrophobicContact CG2-CD1 4.11Å; V813-L866 HydrophobicContact CG2-CD2 4.11Å; V813-L866 HydrophobicContact CG2-CG 4.08Å; L817-L866 HydrophobicContact CD1-CD2 3.7Å; L821-L866 HydrophobicContact CD2-CD2 4.34Å; M840-L866 HydrophobicContact CE-CD1 3.93Å; M840-L866 HydrophobicContact SD-CD1 4.13Å; W843-L866 HydrophobicContact CH2-CD1 4.16Å; W843-L866 HydrophobicContact CZ3-CD1 3.96Å; A862-L866 PolarHBondContact O-N 3.02Å; L863-L866 HydrophobicContact CD2-CD1 4.41Å; L863-L866 PolarHBondContact O-N 3.33Å; L866-G870 PolarHBondContact O-N 2.76Å; L866-L878 HydrophobicContact CD2-CD1 4.36Å; L866-L878 HydrophobicContact CD2-CD2 4.47Å; L866-I917 HydrophobicContact CB-CD1 4.29Å
867L95.2Very high93.5Very high0 Ų034.6 Ų34.60%017%0.173CC..Hα-helixtrans-64.8-47.9177-179.958.1000111.6L863 C864 H869 G870 I871 L914 I917 L918 I921 F1011 F1015 F1024L863-L867 PolarHBondContact O-N 2.96Å; C864-L867 PolarHBondContact O-N 2.95Å; L867-H869 PolarHBondContact O-N 3.36Å; L867-G870 PolarHBondContact O-N 3.08Å; L867-I871 HydrophobicContact CD1-CD1 3.72Å; L867-I871 HydrophobicContact CG-CD1 4.23Å; L867-I871 PolarHBondContact O-N 3.32Å; L867-L914 HydrophobicContact CD1-CB 3.89Å; L867-L914 HydrophobicContact CD1-CD2 4.23Å; L867-I917 HydrophobicContact CB-CG2 3.94Å; L867-I917 HydrophobicContact CD2-CG2 4.48Å; L867-L918 HydrophobicContact CD2-CB 4.22Å; L867-L918 HydrophobicContact CD2-CD1 4.22Å; L867-I921 HydrophobicContact CD2-CD1 3.97Å; L867-F1011 HydrophobicContact CB-CZ 4.27Å; L867-F1011 HydrophobicContact CD2-CE1 3.94Å; L867-F1011 HydrophobicContact CD2-CZ 4.01Å; L867-F1011 HydrophobicContact CG-CZ 4.37Å; L867-F1015 HydrophobicContact CD1-CE2 3.94Å; L867-F1015 HydrophobicContact CD1-CZ 4.09Å; L867-F1015 HydrophobicContact CD2-CD2 4.12Å; L867-F1015 HydrophobicContact CD2-CE2 3.66Å; L867-F1015 HydrophobicContact CD2-CZ 3.98Å; L867-F1015 HydrophobicContact CG-CD2 4.35Å; L867-F1015 HydrophobicContact CG-CE2 3.67Å; L867-F1015 HydrophobicContact CG-CZ 4.21Å; L867-F1024 HydrophobicContact CD1-CE1 4.05Å; L867-F1024 HydrophobicContact CD1-CZ 4.38Å
868Q93.8Very high93.5Very high64 Ų6433.4 Ų33.430%0.29917%0.168SC..Hα-helixtrans-59.2-45.6175.9-83.7176.4-0.700112.2C864 K865 I871 N872 F1011C864-Q868 PolarHBondContact O-N 3.35Å; K865-Q868 PolarHBondContact O-N 2.91Å; Q868-I871 PolarHBondContact O-N 3.37Å; Q868-N872 WeakPolarHBondContact O-CB 3.49Å; Q868-N872 PolarHBondContact O-N 3.1Å; Q868-N872 PolarHBondContact O-ND2 2.92Å; Q868-F1011 VanDerWaalsContact CD-CE2 3.47Å; Q868-F1011 HydrophobicContact CG-CD2 4.48Å; Q868-F1011 HydrophobicContact CG-CE2 3.52Å; Q868-F1011 HydrophobicContact CG-CZ 4.05Å; Q868-F1011 VanDerWaalsContact NE2-CD2 3.32Å
869H93.9Very high93.2Very high26 Ų2636.5 Ų36.512%0.1218%0.182CC..Hα-helixtrans-64.2-46.3178.6-179.179.8000111.9L817 K865 L867 I871 N872 A873 D875L817-H869 HydrophobicContact CD2-CB 3.57Å; K865-H869 VanDerWaalsContact O-CB 3.29Å; K865-H869 WeakPolarHBondContact O-CB 3.41Å; K865-H869 PolarHBondContact O-N 3.49Å; L867-H869 PolarHBondContact O-N 3.36Å; H869-I871 PolarHBondContact O-N 2.9Å; H869-I871 VanDerWaalsContact O-N 3.16Å; H869-N872 PolarHBondContact O-N 3.01Å; H869-A873 VanDerWaalsContact O-CB 3.25Å; H869-A873 WeakPolarHBondContact O-CB 3.3Å; H869-A873 PolarHBondContact O-N 3.41Å; H869-D875 IonicContact CD2-OD2 2.67Å; H869-D875 IonicContact NE2-OD2 3.3Å; H869-D875 PolarHBondContact NE2-OD2 3.02Å
870G91.3Very high92.9Very high0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-58.4-29.418000000114.1L866 L867 D875 Q879L866-G870 PolarHBondContact O-N 2.76Å; L867-G870 PolarHBondContact O-N 3.08Å; G870-D875 PolarHBondContact O-N 2.94Å; G870-Q879 PolarHBondContact O-NE2 2.74Å; G870-Q879 VanDerWaalsContact O-NE2 3.16Å
871I89.8Confident92.8Very high33 Ų3342.6 Ų42.617%0.16922%0.215CC..Hα-helixtrans-92.1-51.7178.4-68.6160.7000111.7L867 Q868 H869 A873 D874 L914 F1015 F1024L867-I871 HydrophobicContact CD1-CD1 3.72Å; L867-I871 HydrophobicContact CG-CD1 4.23Å; L867-I871 PolarHBondContact O-N 3.32Å; Q868-I871 PolarHBondContact O-N 3.37Å; H869-I871 PolarHBondContact O-N 2.9Å; H869-I871 VanDerWaalsContact O-N 3.16Å; I871-A873 VanDerWaalsContact C-N 3.32Å; I871-A873 PolarHBondContact O-N 3.47Å; I871-D874 PolarHBondContact O-N 3.41Å; I871-L914 HydrophobicContact CG1-CD1 4.26Å; I871-F1015 HydrophobicContact CD1-CD2 4.35Å; I871-F1015 HydrophobicContact CD1-CE2 3.21Å; I871-F1015 HydrophobicContact CD1-CZ 3.62Å; I871-F1024 HydrophobicContact CD1-CE2 4.18Å; I871-F1024 HydrophobicContact CD1-CZ 3.87Å; I871-F1024 HydrophobicContact CG1-CZ 4.33Å
872N90.2Very high92.6Very high116 Ų11648.6 Ų48.662%0.6224%0.237SC*.Hα-helixtrans-65.9-36.1-174.8-68.7-19.5000112.1Q868 H869Q868-N872 WeakPolarHBondContact O-CB 3.49Å; Q868-N872 PolarHBondContact O-N 3.1Å; Q868-N872 PolarHBondContact O-ND2 2.92Å; H869-N872 PolarHBondContact O-N 3.01Å
873A89.4Confident92.3Very high56 Ų5649 Ų4946%0.46324%0.239SC..THydrogen-bonded Turntrans-91.9-1178.300000113.4H869 I871 D875H869-A873 VanDerWaalsContact O-CB 3.25Å; H869-A873 WeakPolarHBondContact O-CB 3.3Å; H869-A873 PolarHBondContact O-N 3.41Å; I871-A873 VanDerWaalsContact C-N 3.32Å; I871-A873 PolarHBondContact O-N 3.47Å; A873-D875 PolarHBondContact O-N 3.44Å
874D87.2Confident91.8Very high98 Ų9855.3 Ų55.352%0.52427%0.267SS..THydrogen-bonded Turntrans48.244.8-171.6-164.739.9000112.2I871 K876 Q879I871-D874 PolarHBondContact O-N 3.41Å; D874-K876 PolarHBondContact O-N 3.3Å; D874-Q879 PolarHBondContact OD1-NE2 3.38Å; D874-Q879 PolarHBondContact OD1-OE1 3.1Å
875D90.1Very high91.3Very high15 Ų1555.5 Ų55.58%0.0827%0.269CS..  trans-76.796.9-168.5-163.2-25.8000111.6H869 G870 A873 R877 L878 Q879H869-D875 IonicContact CD2-OD2 2.67Å; H869-D875 IonicContact NE2-OD2 3.3Å; H869-D875 PolarHBondContact NE2-OD2 3.02Å; G870-D875 PolarHBondContact O-N 2.94Å; A873-D875 PolarHBondContact O-N 3.44Å; D875-R877 PolarHBondContact O-N 3.18Å; D875-R877 VanDerWaalsContact O-N 3.07Å; D875-R877 WeakPolarHBondContact OD1-CB 3.06Å; D875-R877 VanDerWaalsContact OD1-CG 3.26Å; D875-R877 WeakPolarHBondContact OD1-CG 3.34Å; D875-R877 IonicContact OD1-CZ 3.95Å; D875-R877 PolarHBondContact OD1-N 2.79Å; D875-R877 IonicContact OD1-NE 3.64Å; D875-R877 PolarHBondContact OD1-NE 2.84Å; D875-R877 IonicContact OD1-NH2 3.67Å; D875-R877 IonicContact OD2-CZ 3.39Å; D875-R877 VanDerWaalsContact OD2-CZ 3.3Å; D875-R877 IonicContact OD2-NE 2.78Å; D875-R877 PolarHBondContact OD2-NE 2.99Å; D875-R877 VanDerWaalsContact OD2-NE 3.14Å; D875-R877 IonicContact OD2-NH2 3.86Å; D875-R877 PolarHBondContact OD2-NH2 3.45Å; D875-L878 PolarHBondContact O-N 2.85Å; D875-Q879 PolarHBondContact O-N 2.9Å; D875-Q879 VanDerWaalsContact O-N 3.13Å
876K90Very high90.5Very high135 Ų13556 Ų5659%0.58727%0.272SS*.Hα-helixtrans-55.5-27.1179.4-62.2-171.7179.7-177.30113.7D874 L878 Q879 D880D874-K876 PolarHBondContact O-N 3.3Å; K876-L878 PolarHBondContact O-N 2.64Å; K876-Q879 PolarHBondContact O-N 3.42Å; K876-D880 WeakPolarHBondContact O-CB 3.34Å; K876-D880 PolarHBondContact O-N 3.09Å
877R91.4Very high89.6Confident79 Ų7957.7 Ų57.730%0.29828%0.28SS..Hα-helixtrans-59.3-33.2177-58175.1-70-178-0.5111.4L821 E822 C825 L836 D875 I881L821-R877 VanDerWaalsContact CB-CZ 3.5Å; E822-R877 VanDerWaalsContact N-NH1 3.17Å; C825-R877 VanDerWaalsContact SG-CD 3.54Å; L836-R877 HydrophobicContact CD2-CB 3.95Å; D875-R877 PolarHBondContact O-N 3.18Å; D875-R877 VanDerWaalsContact O-N 3.07Å; D875-R877 WeakPolarHBondContact OD1-CB 3.06Å; D875-R877 VanDerWaalsContact OD1-CG 3.26Å; D875-R877 WeakPolarHBondContact OD1-CG 3.34Å; D875-R877 IonicContact OD1-CZ 3.95Å; D875-R877 PolarHBondContact OD1-N 2.79Å; D875-R877 IonicContact OD1-NE 3.64Å; D875-R877 PolarHBondContact OD1-NE 2.84Å; D875-R877 IonicContact OD1-NH2 3.67Å; D875-R877 IonicContact OD2-CZ 3.39Å; D875-R877 VanDerWaalsContact OD2-CZ 3.3Å; D875-R877 IonicContact OD2-NE 2.78Å; D875-R877 PolarHBondContact OD2-NE 2.99Å; D875-R877 VanDerWaalsContact OD2-NE 3.14Å; D875-R877 IonicContact OD2-NH2 3.86Å; D875-R877 PolarHBondContact OD2-NH2 3.45Å; R877-I881 WeakPolarHBondContact O-CD1 3.24Å; R877-I881 WeakPolarHBondContact O-CG1 3.46Å
878L92.1Very high88.5Confident0 Ų061.8 Ų61.80%030%0.301CS..Hα-helixtrans-92.8-38.7177.5-64.4172.4000112.2L821 L836 L866 D875 K876 D880 I881 L913 L914L821-L878 HydrophobicContact CD1-CD1 4.26Å; L821-L878 HydrophobicContact CD2-CD2 4.04Å; L821-L878 HydrophobicContact CD2-CG 4.49Å; L836-L878 HydrophobicContact CD1-CD2 4.44Å; L836-L878 HydrophobicContact CD2-CD2 4.11Å; L866-L878 HydrophobicContact CD2-CD1 4.36Å; L866-L878 HydrophobicContact CD2-CD2 4.47Å; D875-L878 PolarHBondContact O-N 2.85Å; K876-L878 PolarHBondContact O-N 2.64Å; L878-D880 PolarHBondContact O-N 3.04Å; L878-I881 PolarHBondContact O-N 2.76Å; L878-L913 HydrophobicContact CD2-CD2 4.05Å; L878-L914 HydrophobicContact CB-CD2 4.15Å
879Q89.5Confident87.4Confident66 Ų6666.8 Ų66.831%0.30832%0.318SS..Hα-helixtrans-67.2-32.9-176.7-65.6-177.99.400113.7G870 D874 D875 K876 I881 L914G870-Q879 PolarHBondContact O-NE2 2.74Å; G870-Q879 VanDerWaalsContact O-NE2 3.16Å; D874-Q879 PolarHBondContact OD1-NE2 3.38Å; D874-Q879 PolarHBondContact OD1-OE1 3.1Å; D875-Q879 PolarHBondContact O-N 2.9Å; D875-Q879 VanDerWaalsContact O-N 3.13Å; K876-Q879 PolarHBondContact O-N 3.42Å; Q879-I881 VanDerWaalsContact C-N 3.29Å; Q879-I881 PolarHBondContact O-N 2.97Å; Q879-L914 HydrophobicContact CG-CD1 3.86Å
880D90.5Very high85.7Confident122 Ų12268 Ų6865%0.65233%0.33SS*.THydrogen-bonded Turntrans-79-11.8-177.5-71.6-22.6000113.1K876 L878K876-D880 WeakPolarHBondContact O-CB 3.34Å; K876-D880 PolarHBondContact O-N 3.09Å; L878-D880 PolarHBondContact O-N 3.04Å
881I92.7Very high83.9Confident8 Ų877.4 Ų77.44%0.04138%0.376CS..  trans-75.8134.5-179.6-62.9171.1000110.5L836 E837 R877 L878 Q879 V883 L913L836-I881 HydrophobicContact CB-CD1 4.5Å; L836-I881 HydrophobicContact CD2-CD1 3.95Å; L836-I881 HydrophobicContact CG-CD1 3.79Å; E837-I881 HydrophobicContact CB-CD1 4.38Å; E837-I881 HydrophobicContact CB-CG1 4.28Å; E837-I881 HydrophobicContact CB-CG2 4.38Å; E837-I881 HydrophobicContact CG-CG2 4.01Å; R877-I881 WeakPolarHBondContact O-CD1 3.24Å; R877-I881 WeakPolarHBondContact O-CG1 3.46Å; L878-I881 PolarHBondContact O-N 2.76Å; Q879-I881 VanDerWaalsContact C-N 3.29Å; Q879-I881 PolarHBondContact O-N 2.97Å; I881-V883 HydrophobicContact CG2-CG1 4.06Å; I881-L913 HydrophobicContact CB-CB 3.87Å; I881-L913 HydrophobicContact CB-CD2 3.92Å; I881-L913 HydrophobicContact CD1-CD2 3.87Å; I881-L913 HydrophobicContact CG1-CD2 4.47Å; I881-L913 HydrophobicContact CG2-CB 3.92Å; I881-L913 HydrophobicContact CG2-CD2 4Å; I881-L913 HydrophobicContact CG2-CG 4.4Å; I881-L913 PolarHBondContact O-N 3.32Å
882R92.6Very high82.2Confident130 Ų13083.8 Ų83.849%0.49141%0.41SS..EExtended strand (participates in β ladder)trans-119.8131.6177.8-65.6-73.6179.1161.7-3.6109.6N910 I911R882-N910 WeakPolarHBondContact CB-OD1 3.44Å; R882-I911 WeakPolarHBondContact CA-O 3.49Å
883V91.8Very high80.2Confident7 Ų781.9 Ų81.94%0.04240%0.398CS..EExtended strand (participates in β ladder)trans-131.1163.5-176.1-62.50000111.5A841 I881 G885 N910 I911 L913 K916A841-V883 HydrophobicContact CB-CG1 4.3Å; I881-V883 HydrophobicContact CG2-CG1 4.06Å; V883-G885 PolarHBondContact O-N 3.36Å; V883-N910 PolarHBondContact O-OD1 3.47Å; V883-I911 HydrophobicContact CG2-CG1 4.4Å; V883-I911 PolarHBondContact N-O 3.44Å; V883-I911 PolarHBondContact O-N 3Å; V883-L913 HydrophobicContact CG1-CD1 4.05Å; V883-L913 HydrophobicContact CG2-CD1 4.46Å; V883-K916 HydrophobicContact CG2-CB 3.49Å; V883-K916 VanDerWaalsContact CG2-CB 3.49Å; V883-K916 HydrophobicContact CG2-CG 3.76Å
884K87.7Confident78.5Confident136 Ų13681.7 Ų81.759%0.59140%0.402SS*.EExtended strand (participates in β ladder)trans-61.2128.6174.7-66-177.2-178.6179.40110.3W908K884-W908 HydrophobicContact CB-CB 4.45Å; K884-W908 HydrophobicContact CD-CD2 4.47Å; K884-W908 HydrophobicContact CD-CG 4.28Å; K884-W908 HydrophobicContact CG-CB 4.4Å
885G85.5Confident76.9Confident4 Ų484.5 Ų84.54%0.04142%0.415CS..EExtended strand (participates in β ladder)trans-94.3-126.2173.800000111.3V883 T909V883-G885 PolarHBondContact O-N 3.36Å; G885-T909 WeakPolarHBondContact CA-OG1 3.42Å; G885-T909 PolarHBondContact N-O 2.85Å
886E79.9Confident75.1Confident78 Ų7887.7 Ų87.736%0.36443%0.426SS..EExtended strand (participates in β ladder)trans-84152.9176.3-64.4171.917700112.5W908 T909 K919 N1029E886-W908 CarbonylContact O-C 3.5Å; E886-W908 WeakPolarHBondContact O-CA 3.32Å; E886-T909 PolarHBondContact N-OG1 3.18Å; E886-T909 PolarHBondContact O-N 3.2Å; E886-T909 PolarHBondContact O-OG1 3.4Å; E886-T909 VanDerWaalsContact O-OG1 3.08Å; E886-K919 IonicContact OE1-NZ 3.87Å; E886-K919 PolarHBondContact OE1-NZ 3.47Å; E886-N1029 PolarHBondContact OE1-ND2 3.23Å
887E77.3Confident73.1Confident38 Ų3884.8 Ų84.818%0.17842%0.419CS..EExtended strand (participates in β ladder)trans-70.3138.6169.8-162.2-170.716800110.5Y889 E906 R907 W908E887-Y889 HydrophobicContact CB-CE1 4.44Å; E887-Y889 HydrophobicContact CB-CE2 4.32Å; E887-Y889 HydrophobicContact CG-CE1 4.26Å; E887-Y889 VanDerWaalsContact OE2-CE1 3.28Å; E887-Y889 WeakPolarHBondContact OE2-CE1 3.28Å; E887-Y889 PolarHBondContact OE2-OH 3.38Å; E887-E906 HydrophobicContact CG-CB 4.48Å; E887-E906 WeakPolarHBondContact OE1-CG 3.49Å; E887-R907 CarbonylContact C-O 3.34Å; E887-W908 HydrophobicContact CB-CD2 4.45Å; E887-W908 HydrophobicContact CB-CE3 4.19Å; E887-W908 HydrophobicContact CB-CH2 4.23Å; E887-W908 HydrophobicContact CB-CZ2 4.48Å; E887-W908 HydrophobicContact CB-CZ3 4.09Å; E887-W908 HydrophobicContact CG-CZ2 4.45Å
888I72.5Confident71Confident87 Ų8791.8 Ų91.845%0.44645%0.446SS..  trans-94.3102.2179.5-57172.6000108.3R907 T909I888-R907 HydrophobicContact CB-CB 4.19Å; I888-R907 HydrophobicContact CD1-CB 4.36Å; I888-R907 PolarHBondContact N-O 2.86Å; I888-T909 HydrophobicContact CD1-CG2 3.97Å; I888-T909 HydrophobicContact CG1-CG2 3.69Å
889Y69.2Low69.1Low169 Ų16996 Ų9666%0.66348%0.475SS*.  trans-79.2128170.5-56-70.2000110.7E887E887-Y889 HydrophobicContact CB-CE1 4.44Å; E887-Y889 HydrophobicContact CB-CE2 4.32Å; E887-Y889 HydrophobicContact CG-CE1 4.26Å; E887-Y889 VanDerWaalsContact OE2-CE1 3.28Å; E887-Y889 WeakPolarHBondContact OE2-CE1 3.28Å; E887-Y889 PolarHBondContact OE2-OH 3.38Å
890S58.4Low67.3Low52 Ų5297.6 Ų97.636%0.36448%0.481SS..  trans-86.1116.5168.856.80000109.6D892 E893S890-D892 PolarHBondContact O-N 3.02Å; S890-E893 PolarHBondContact O-N 2.87Å; S890-E893 VanDerWaalsContact O-N 3.14Å; S890-E893 WeakPolarHBondContact OG-CG 3.13Å
891M54.5Low65.6Low197 Ų19794.7 Ų94.797%0.9747%0.47SS*.THydrogen-bonded Turntrans-58.3-20.1-179.6-75.9-165.6164.600114.7E893M891-E893 VanDerWaalsContact C-N 3.26Å; M891-E893 PolarHBondContact O-N 3.01Å
892D54.7Low63.8Low167 Ų16798.7 Ų98.789%0.89350%0.504SS*.THydrogen-bonded Turntrans-77.6-5.4179.3-71.8-29.7000114.2S890S890-D892 PolarHBondContact O-N 3.02Å
893E46.7Very low62.1Low75 Ų75101 Ų10135%0.3552%0.518SS..  trans-107.496-179.2-67.3-174.5178.100110.8S890 M891 R896 N904S890-E893 PolarHBondContact O-N 2.87Å; S890-E893 VanDerWaalsContact O-N 3.14Å; S890-E893 WeakPolarHBondContact OG-CG 3.13Å; M891-E893 VanDerWaalsContact C-N 3.26Å; M891-E893 PolarHBondContact O-N 3.01Å; E893-R896 IonicContact OE2-CZ 3.08Å; E893-R896 IonicContact OE2-NE 3.32Å; E893-R896 PolarHBondContact OE2-NE 3.15Å; E893-R896 IonicContact OE2-NH2 2.68Å; E893-R896 PolarHBondContact OE2-NH2 3.43Å; E893-N904 PolarHBondContact OE1-ND2 3.37Å
894G54.5Low60.5Low53 Ų53104.2 Ų104.255%0.54654%0.535SS..  trans-57.7170.116500000112.3R896G894-R896 PolarHBondContact O-N 3.41Å
895I54.6Low59.2Low156 Ų156102.7 Ų102.780%0.854%0.539SS*.  trans-27.1117-169.5-58.4172.8000113.6T897 K900I895-T897 PolarHBondContact O-N 2.98Å; I895-K900 PolarHBondContact O-NZ 2.93Å
896R50.6Low58.5Low83 Ų83108.1 Ų108.131%0.31356%0.563SS.*  trans-79.399.7177-79.1-176.3175.21691.9109.6E893 G894 K900E893-R896 IonicContact OE2-CZ 3.08Å; E893-R896 IonicContact OE2-NE 3.32Å; E893-R896 PolarHBondContact OE2-NE 3.15Å; E893-R896 IonicContact OE2-NH2 2.68Å; E893-R896 PolarHBondContact OE2-NH2 3.43Å; G894-R896 PolarHBondContact O-N 3.41Å; R896-K900 HydrophobicContact CB-CB 4.45Å; R896-K900 HydrophobicContact CG-CB 4.41Å
897T49.3Very low58.3Low73 Ų73113.5 Ų113.545%0.44858%0.58SS.*  trans-68.1158.8166.6570000110.8I895 S899 K900I895-T897 PolarHBondContact O-N 2.98Å; T897-S899 PolarHBondContact O-N 2.73Å; T897-S899 PolarHBondContact OG1-OG 3.12Å; T897-K900 WeakPolarHBondContact O-CB 3.43Å; T897-K900 PolarHBondContact O-N 3.05Å
898R47.2Very low58.4Low227 Ų227116.8 Ų116.886%0.85759%0.591SS**Hα-helixtrans-47.5-26.3-178.3-68.1179178.9176.7-1.4114.9S901R898-S901 PolarHBondContact O-OG 3.47Å
899S51.8Low59Low87 Ų87114.9 Ų114.961%0.60858%0.584SS**Hα-helixtrans-84-20.4177.9520000114.9T897T897-S899 PolarHBondContact O-N 2.73Å; T897-S899 PolarHBondContact OG1-OG 3.12Å
900K51.3Low59.9Low101 Ų101112 Ų11244%0.43958%0.579SS.*Hα-helixtrans-80.5-35.1178.5-72.9176.7177.8175.30112.4I895 R896 T897 A902 K903 N904I895-K900 PolarHBondContact O-NZ 2.93Å; R896-K900 HydrophobicContact CB-CB 4.45Å; R896-K900 HydrophobicContact CG-CB 4.41Å; T897-K900 WeakPolarHBondContact O-CB 3.43Å; T897-K900 PolarHBondContact O-N 3.05Å; K900-A902 PolarHBondContact O-N 3.36Å; K900-K903 PolarHBondContact O-N 3.11Å; K900-N904 PolarHBondContact O-N 3.07Å
901S55.7Low61.5Low61 Ų61110.1 Ų110.143%0.42757%0.565SS.*Hα-helixtrans-64.5-35.9-178.635.30000113.7R898 K903 N904R898-S901 PolarHBondContact O-OG 3.47Å; S901-K903 PolarHBondContact O-N 3.49Å; S901-N904 CarbonylContact O-C 3.6Å; S901-N904 PolarHBondContact O-N 3.42Å
902A55.1Low63.3Low92 Ų92101.5 Ų101.576%0.7652%0.524SS*.THydrogen-bonded Turntrans-65.1-23.6177.200000114.2K900K900-A902 PolarHBondContact O-N 3.36Å
903K56.7Low65.3Low179 Ų17993.5 Ų93.578%0.77848%0.481SS*.THydrogen-bonded Turntrans-89.9-27.1-178.9-73.2-179.2179.21740113.3K900 S901K900-K903 PolarHBondContact O-N 3.11Å; S901-K903 PolarHBondContact O-N 3.49Å
904N57.4Low67.6Low73 Ų7390.4 Ų90.439%0.3947%0.467SS..SBendtrans-124.992.7-179.5-82-17.9000109.7E893 K900 S901E893-N904 PolarHBondContact OE1-ND2 3.37Å; K900-N904 PolarHBondContact O-N 3.07Å; S901-N904 CarbonylContact O-C 3.6Å; S901-N904 PolarHBondContact O-N 3.42Å
905P60.4Low69.4Low105 Ų10588 Ų8868%0.68244%0.442SS*.PPolyproline II helixtrans-62.3145.3176.824.2-31.8000111.3R907P905-R907 PolarHBondContact O-N 3.45Å
906E71.1Confident71.4Confident118 Ų11882.2 Ų82.255%0.55141%0.411SS*.PPolyproline II helixtrans-55.3130.9-179.4-60.6168.9-175.600111.1E887E887-E906 HydrophobicContact CG-CB 4.48Å; E887-E906 WeakPolarHBondContact OE1-CG 3.49Å
907R74.4Confident73.5Confident191 Ų19178.2 Ų78.272%0.72140%0.396SS*.PPolyproline II helixtrans-103.7134.6176.3-67.9-175.6-177.9178.13.4108.4E887 I888 P905E887-R907 CarbonylContact C-O 3.34Å; I888-R907 HydrophobicContact CB-CB 4.19Å; I888-R907 HydrophobicContact CD1-CB 4.36Å; I888-R907 PolarHBondContact N-O 2.86Å; P905-R907 PolarHBondContact O-N 3.45Å
908W79.8Confident75.7Confident107 Ų10774.8 Ų74.841%0.40538%0.375SS..EExtended strand (participates in β ladder)trans-117.7144.2-178.2-62.779000109.8K884 E886 E887K884-W908 HydrophobicContact CB-CB 4.45Å; K884-W908 HydrophobicContact CD-CD2 4.47Å; K884-W908 HydrophobicContact CD-CG 4.28Å; K884-W908 HydrophobicContact CG-CB 4.4Å; E886-W908 CarbonylContact O-C 3.5Å; E886-W908 WeakPolarHBondContact O-CA 3.32Å; E887-W908 HydrophobicContact CB-CD2 4.45Å; E887-W908 HydrophobicContact CB-CE3 4.19Å; E887-W908 HydrophobicContact CB-CH2 4.23Å; E887-W908 HydrophobicContact CB-CZ2 4.48Å; E887-W908 HydrophobicContact CB-CZ3 4.09Å; E887-W908 HydrophobicContact CG-CZ2 4.45Å
909T84.9Confident78Confident47 Ų4764.6 Ų64.629%0.28834%0.337SS..EExtended strand (participates in β ladder)trans-67154.7166.858.60000110G885 E886 I888G885-T909 WeakPolarHBondContact CA-OG1 3.42Å; G885-T909 PolarHBondContact N-O 2.85Å; E886-T909 PolarHBondContact N-OG1 3.18Å; E886-T909 PolarHBondContact O-N 3.2Å; E886-T909 PolarHBondContact O-OG1 3.4Å; E886-T909 VanDerWaalsContact O-OG1 3.08Å; I888-T909 HydrophobicContact CD1-CG2 3.97Å; I888-T909 HydrophobicContact CG1-CG2 3.69Å
910N88.2Confident80.1Confident107 Ų10760.9 Ų60.957%0.57231%0.31SS*.EExtended strand (participates in β ladder)trans-119.1109.9178.4-170.421.8000109.7R882 V883R882-N910 WeakPolarHBondContact CB-OD1 3.44Å; V883-N910 PolarHBondContact O-OD1 3.47Å
911I91.8Very high82.2Confident14 Ų1456.2 Ų56.27%0.07229%0.289CS..EExtended strand (participates in β ladder)trans-118.7157-170.462.1172.8000111.9R882 V883 V915 K916 K919R882-I911 WeakPolarHBondContact CA-O 3.49Å; V883-I911 HydrophobicContact CG2-CG1 4.4Å; V883-I911 PolarHBondContact N-O 3.44Å; V883-I911 PolarHBondContact O-N 3Å; I911-V915 HydrophobicContact CD1-CG1 4.29Å; I911-K916 HydrophobicContact CD1-CB 3.8Å; I911-K916 HydrophobicContact CD1-CD 4.01Å; I911-K916 HydrophobicContact CD1-CG 4.47Å; I911-K916 HydrophobicContact CG1-CB 4.21Å; I911-K919 HydrophobicContact CD1-CD 4.09Å
912P93.9Very high84.1Confident15 Ų1553.3 Ų53.310%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-58.6143.3171.9-18.129.8000111.7L914 V915 K916P912-L914 PolarHBondContact O-N 3.08Å; P912-V915 HydrophobicContact CB-CB 4.34Å; P912-V915 HydrophobicContact CB-CG2 3.97Å; P912-V915 HydrophobicContact CG-CB 4.48Å; P912-V915 HydrophobicContact CG-CG2 3.92Å; P912-V915 WeakPolarHBondContact O-CB 3.33Å; P912-V915 PolarHBondContact O-N 3.36Å; P912-V915 VanDerWaalsContact O-N 3.08Å; P912-K916 PolarHBondContact O-N 3.48Å; P912-K916 VanDerWaalsContact O-N 3.1Å
913L95.1Very high85.9Confident0 Ų052 Ų520%025%0.25CC..Hα-helixtrans-53.5-49.8179.1173.762.2000112.5M840 T844 L878 I881 V883 V915 K916 I917M840-L913 HydrophobicContact CB-CD1 3.86Å; M840-L913 HydrophobicContact CB-CD2 3.83Å; M840-L913 HydrophobicContact CE-CD1 3.85Å; M840-L913 HydrophobicContact CE-CD2 4.06Å; M840-L913 HydrophobicContact CE-CG 4.37Å; M840-L913 HydrophobicContact CG-CD1 4.49Å; M840-L913 HydrophobicContact CG-CD2 3.75Å; T844-L913 HydrophobicContact CG2-CD1 3.8Å; L878-L913 HydrophobicContact CD2-CD2 4.05Å; I881-L913 HydrophobicContact CB-CB 3.87Å; I881-L913 HydrophobicContact CB-CD2 3.92Å; I881-L913 HydrophobicContact CD1-CD2 3.87Å; I881-L913 HydrophobicContact CG1-CD2 4.47Å; I881-L913 HydrophobicContact CG2-CB 3.92Å; I881-L913 HydrophobicContact CG2-CD2 4Å; I881-L913 HydrophobicContact CG2-CG 4.4Å; I881-L913 PolarHBondContact O-N 3.32Å; V883-L913 HydrophobicContact CG1-CD1 4.05Å; V883-L913 HydrophobicContact CG2-CD1 4.46Å; L913-V915 PolarHBondContact O-N 3.14Å; L913-K916 WeakPolarHBondContact O-CB 3.35Å; L913-K916 PolarHBondContact O-N 3.26Å; L913-I917 HydrophobicContact CD1-CD1 4.16Å; L913-I917 HydrophobicContact CD1-CG1 4.16Å; L913-I917 HydrophobicContact CG-CD1 3.99Å; L913-I917 HydrophobicContact CG-CG1 4.38Å; L913-I917 WeakPolarHBondContact O-CG1 3.31Å; L913-I917 PolarHBondContact O-N 2.92Å
914L94.9Very high87.7Confident9 Ų944.8 Ų44.85%0.04722%0.218CC..Hα-helixtrans-59.9-32.1-178.7-60.2-176.2000112.2L867 I871 L878 Q879 P912 I917 L918 F1024L867-L914 HydrophobicContact CD1-CB 3.89Å; L867-L914 HydrophobicContact CD1-CD2 4.23Å; I871-L914 HydrophobicContact CG1-CD1 4.26Å; L878-L914 HydrophobicContact CB-CD2 4.15Å; Q879-L914 HydrophobicContact CG-CD1 3.86Å; P912-L914 PolarHBondContact O-N 3.08Å; L914-I917 HydrophobicContact CD2-CD1 4.35Å; L914-L918 PolarHBondContact O-N 3.05Å; L914-L918 VanDerWaalsContact O-N 3.08Å; L914-F1024 HydrophobicContact CB-CE1 3.72Å; L914-F1024 HydrophobicContact CB-CZ 3.97Å
915V93.7Very high89.5Confident4 Ų441.3 Ų41.32%0.02420%0.2CC..Hα-helixtrans-70-43174.9174.70000110.7I911 P912 L913 I917 L918 K919 F1024 H1027I911-V915 HydrophobicContact CD1-CG1 4.29Å; P912-V915 HydrophobicContact CB-CB 4.34Å; P912-V915 HydrophobicContact CB-CG2 3.97Å; P912-V915 HydrophobicContact CG-CB 4.48Å; P912-V915 HydrophobicContact CG-CG2 3.92Å; P912-V915 WeakPolarHBondContact O-CB 3.33Å; P912-V915 PolarHBondContact O-N 3.36Å; P912-V915 VanDerWaalsContact O-N 3.08Å; L913-V915 PolarHBondContact O-N 3.14Å; V915-I917 VanDerWaalsContact C-N 3.31Å; V915-I917 PolarHBondContact O-N 2.97Å; V915-L918 PolarHBondContact O-N 3.36Å; V915-K919 PolarHBondContact O-N 2.82Å; V915-F1024 HydrophobicContact CB-CD1 4.4Å; V915-F1024 HydrophobicContact CG2-CD1 3.76Å; V915-F1024 HydrophobicContact CG2-CE1 4.01Å; V915-F1024 HydrophobicContact CG2-CG 4.44Å; V915-H1027 HydrophobicContact CG1-CB 3.37Å
916K95.2Very high91Very high33 Ų3337.4 Ų37.414%0.14318%0.175CC..Hα-helixtrans-61.5-40.9174.6-176.964178.4-178.70111.3T844 V883 I911 P912 L913 K919 L920T844-K916 HydrophobicContact CG2-CG 4.4Å; T844-K916 VanDerWaalsContact O-CE 3.32Å; T844-K916 WeakPolarHBondContact O-CE 3.29Å; V883-K916 HydrophobicContact CG2-CB 3.49Å; V883-K916 VanDerWaalsContact CG2-CB 3.49Å; V883-K916 HydrophobicContact CG2-CG 3.76Å; I911-K916 HydrophobicContact CD1-CB 3.8Å; I911-K916 HydrophobicContact CD1-CD 4.01Å; I911-K916 HydrophobicContact CD1-CG 4.47Å; I911-K916 HydrophobicContact CG1-CB 4.21Å; P912-K916 PolarHBondContact O-N 3.48Å; P912-K916 VanDerWaalsContact O-N 3.1Å; L913-K916 WeakPolarHBondContact O-CB 3.35Å; L913-K916 PolarHBondContact O-N 3.26Å; K916-K919 PolarHBondContact O-N 3.44Å; K916-L920 HydrophobicContact CG-CD1 4.2Å; K916-L920 WeakPolarHBondContact O-CG 3.37Å; K916-L920 PolarHBondContact O-N 3.08Å
917I96.2Very high91.9Very high0 Ų035.1 Ų35.10%017%0.167CC..Hα-helixtrans-59.9-46.5176.1-66.2176.4000110.6M840 T844 L863 L866 L867 L913 L914 V915 K919 L920 I921M840-I917 HydrophobicContact CE-CD1 3.92Å; T844-I917 HydrophobicContact CG2-CG1 4.19Å; L863-I917 HydrophobicContact CB-CG2 3.99Å; L863-I917 HydrophobicContact CD2-CD1 4.4Å; L863-I917 HydrophobicContact CD2-CG1 4.12Å; L863-I917 HydrophobicContact CD2-CG2 4.23Å; L863-I917 WeakPolarHBondContact O-CG2 3.46Å; L866-I917 HydrophobicContact CB-CD1 4.29Å; L867-I917 HydrophobicContact CB-CG2 3.94Å; L867-I917 HydrophobicContact CD2-CG2 4.48Å; L913-I917 HydrophobicContact CD1-CD1 4.16Å; L913-I917 HydrophobicContact CD1-CG1 4.16Å; L913-I917 HydrophobicContact CG-CD1 3.99Å; L913-I917 HydrophobicContact CG-CG1 4.38Å; L913-I917 WeakPolarHBondContact O-CG1 3.31Å; L913-I917 PolarHBondContact O-N 2.92Å; L914-I917 HydrophobicContact CD2-CD1 4.35Å; V915-I917 VanDerWaalsContact C-N 3.31Å; V915-I917 PolarHBondContact O-N 2.97Å; I917-K919 PolarHBondContact O-N 3.08Å; I917-L920 PolarHBondContact O-N 3.03Å; I917-I921 HydrophobicContact CG2-CD1 3.79Å; I917-I921 HydrophobicContact CG2-CG1 4.44Å; I917-I921 WeakPolarHBondContact O-CG1 2.88Å; I917-I921 PolarHBondContact O-N 2.65Å
918L95.4Very high92.6Very high1 Ų127.1 Ų27.11%0.00514%0.139CC..Hα-helixtrans-58-47.2175.7178.767.6000111.9L867 L914 V915 L920 I921 I922 L1012 F1015 F1024 L1028L867-L918 HydrophobicContact CD2-CB 4.22Å; L867-L918 HydrophobicContact CD2-CD1 4.22Å; L914-L918 PolarHBondContact O-N 3.05Å; L914-L918 VanDerWaalsContact O-N 3.08Å; V915-L918 PolarHBondContact O-N 3.36Å; L918-L920 VanDerWaalsContact C-N 3.31Å; L918-L920 PolarHBondContact O-N 3.01Å; L918-I921 PolarHBondContact O-N 2.82Å; L918-I922 HydrophobicContact CD1-CD1 4.35Å; L918-I922 HydrophobicContact CG-CD1 4.02Å; L918-I922 WeakPolarHBondContact O-CG1 3.23Å; L918-I922 PolarHBondContact O-N 3.47Å; L918-L1012 HydrophobicContact CD1-CD2 3.56Å; L918-F1015 HydrophobicContact CD1-CD1 3.92Å; L918-F1015 HydrophobicContact CD1-CE1 3.88Å; L918-F1015 HydrophobicContact CD2-CE1 3.88Å; L918-F1015 HydrophobicContact CG-CE1 4.46Å; L918-F1024 HydrophobicContact CB-CD1 4.34Å; L918-F1024 HydrophobicContact CD2-CB 3.61Å; L918-F1024 HydrophobicContact CD2-CD1 3.89Å; L918-F1024 HydrophobicContact CD2-CG 4.12Å; L918-L1028 HydrophobicContact CD2-CD2 4.34Å
919K95.1Very high93Very high13 Ų1324.3 Ų24.36%0.05713%0.131CC..Hα-helixtrans-58.5-42177.3-72.8179.3142.1-81.60112.3E886 I911 V915 K916 I917 I922 N923 H1027 L1028 N1029 E1032E886-K919 IonicContact OE1-NZ 3.87Å; E886-K919 PolarHBondContact OE1-NZ 3.47Å; I911-K919 HydrophobicContact CD1-CD 4.09Å; V915-K919 PolarHBondContact O-N 2.82Å; K916-K919 PolarHBondContact O-N 3.44Å; I917-K919 PolarHBondContact O-N 3.08Å; K919-I922 PolarHBondContact O-N 3.28Å; K919-N923 WeakPolarHBondContact O-CB 3.43Å; K919-N923 PolarHBondContact O-N 3.02Å; K919-H1027 WeakPolarHBondContact CE-O 3.47Å; K919-L1028 HydrophobicContact CG-CD2 4.14Å; K919-N1029 PolarHBondContact NZ-ND2 3.31Å; K919-E1032 WeakPolarHBondContact CB-OE1 3.41Å; K919-E1032 WeakPolarHBondContact CE-OE2 3.47Å; K919-E1032 VanDerWaalsContact CG-OE1 3.28Å; K919-E1032 WeakPolarHBondContact CG-OE1 3.49Å; K919-E1032 IonicContact NZ-OE1 3.8Å; K919-E1032 PolarHBondContact NZ-OE1 3.43Å; K919-E1032 IonicContact NZ-OE2 3.14Å; K919-E1032 PolarHBondContact NZ-OE2 2.95Å
920L95.1Very high93Very high9 Ų927.2 Ų27.25%0.04714%0.141CC..Hα-helixtrans-65.3-38.2176.7-70.7169.8000112.4T844 Q847 K916 I917 L918 I922 N923 E924T844-L920 HydrophobicContact CG2-CD1 3.87Å; Q847-L920 HydrophobicContact CB-CD1 3.89Å; Q847-L920 HydrophobicContact CB-CD2 3.97Å; Q847-L920 HydrophobicContact CB-CG 4.45Å; Q847-L920 HydrophobicContact CG-CB 4.39Å; Q847-L920 HydrophobicContact CG-CD1 4.19Å; Q847-L920 HydrophobicContact CG-CD2 4.19Å; Q847-L920 HydrophobicContact CG-CG 4.49Å; K916-L920 HydrophobicContact CG-CD1 4.2Å; K916-L920 WeakPolarHBondContact O-CG 3.37Å; K916-L920 PolarHBondContact O-N 3.08Å; I917-L920 PolarHBondContact O-N 3.03Å; L918-L920 VanDerWaalsContact C-N 3.31Å; L918-L920 PolarHBondContact O-N 3.01Å; L920-I922 VanDerWaalsContact C-N 3.35Å; L920-N923 PolarHBondContact O-N 2.89Å; L920-E924 WeakPolarHBondContact O-CB 3.46Å; L920-E924 PolarHBondContact O-N 3.36Å
921I96.3Very high92.7Very high2 Ų224.2 Ų24.21%0.0113%0.132CC..Hα-helixtrans-64.4-40.3175.3-69.8164.8000111.1L863 L867 I917 L918 E924 L925 L1008 F1011 L1012L863-I921 HydrophobicContact CB-CG1 4.47Å; L867-I921 HydrophobicContact CD2-CD1 3.97Å; I917-I921 HydrophobicContact CG2-CD1 3.79Å; I917-I921 HydrophobicContact CG2-CG1 4.44Å; I917-I921 WeakPolarHBondContact O-CG1 2.88Å; I917-I921 PolarHBondContact O-N 2.65Å; L918-I921 PolarHBondContact O-N 2.82Å; I921-E924 PolarHBondContact O-N 3.37Å; I921-L925 PolarHBondContact O-N 3.13Å; I921-L1008 HydrophobicContact CG2-CD2 4.03Å; I921-F1011 HydrophobicContact CD1-CE1 3.86Å; I921-F1011 HydrophobicContact CD1-CZ 4.33Å; I921-F1011 HydrophobicContact CG2-CD1 4.37Å; I921-L1012 HydrophobicContact CG2-CD1 4.15Å; I921-L1012 HydrophobicContact CG2-CD2 3.93Å; I921-L1012 HydrophobicContact CG2-CG 4.02Å
922I95.3Very high92.3Very high1 Ų125.3 Ų25.31%0.00514%0.137CC..Hα-helixtrans-66.3-44176-64.1165000110.6L918 K919 L920 E924 L925 S926 L1012 L1028 E1032 V1035 L1036L918-I922 HydrophobicContact CD1-CD1 4.35Å; L918-I922 HydrophobicContact CG-CD1 4.02Å; L918-I922 WeakPolarHBondContact O-CG1 3.23Å; L918-I922 PolarHBondContact O-N 3.47Å; K919-I922 PolarHBondContact O-N 3.28Å; L920-I922 VanDerWaalsContact C-N 3.35Å; I922-E924 VanDerWaalsContact C-N 3.32Å; I922-E924 PolarHBondContact O-N 3.16Å; I922-L925 PolarHBondContact O-N 3.23Å; I922-S926 PolarHBondContact O-N 3.11Å; I922-L1012 HydrophobicContact CG1-CD1 4.21Å; I922-L1012 HydrophobicContact CG1-CD2 4.09Å; I922-L1028 HydrophobicContact CD1-CD1 4.31Å; I922-L1028 HydrophobicContact CD1-CD2 3.7Å; I922-E1032 HydrophobicContact CD1-CB 4.44Å; I922-E1032 HydrophobicContact CG2-CB 3.98Å; I922-E1032 HydrophobicContact CG2-CG 4.08Å; I922-V1035 HydrophobicContact CG2-CB 3.87Å; I922-V1035 HydrophobicContact CG2-CG1 3.83Å; I922-L1036 HydrophobicContact CD1-CD1 3.84Å; I922-L1036 HydrophobicContact CD1-CD2 4.17Å; I922-L1036 HydrophobicContact CD1-CG 4.09Å; I922-L1036 HydrophobicContact CG1-CD2 4.02Å; I922-L1036 HydrophobicContact CG1-CG 4.31Å
923N93.6Very high91.6Very high65 Ų6527.4 Ų27.435%0.34816%0.156SC..Hα-helixtrans-58.7-45175.8-171.790.6000111.5K919 L920 L925 S926 N927K919-N923 WeakPolarHBondContact O-CB 3.43Å; K919-N923 PolarHBondContact O-N 3.02Å; L920-N923 PolarHBondContact O-N 2.89Å; N923-L925 VanDerWaalsContact C-N 3.34Å; N923-L925 PolarHBondContact O-N 2.86Å; N923-S926 WeakPolarHBondContact O-CB 3.38Å; N923-S926 PolarHBondContact O-N 2.81Å; N923-N927 PolarHBondContact ND2-ND2 3.3Å; N923-N927 VanDerWaalsContact O-CG 3.32Å; N923-N927 PolarHBondContact O-N 3.33Å; N923-N927 PolarHBondContact O-OD1 3.46Å
924E94Very high90.5Very high26 Ų2630.4 Ų30.412%0.12118%0.181CC..Hα-helixtrans-61.4-41.9176.2-170.674174.600112S860 L920 I921 I922 S926 N927 V928 L1004 L1008S860-E924 WeakPolarHBondContact OG-CG 3.37Å; S860-E924 PolarHBondContact OG-OE1 3.07Å; L920-E924 WeakPolarHBondContact O-CB 3.46Å; L920-E924 PolarHBondContact O-N 3.36Å; I921-E924 PolarHBondContact O-N 3.37Å; I922-E924 VanDerWaalsContact C-N 3.32Å; I922-E924 PolarHBondContact O-N 3.16Å; E924-S926 VanDerWaalsContact C-N 3.33Å; E924-S926 PolarHBondContact O-N 3.38Å; E924-N927 PolarHBondContact O-N 3.42Å; E924-V928 HydrophobicContact CG-CG2 4.4Å; E924-V928 VanDerWaalsContact O-CG2 3.26Å; E924-V928 WeakPolarHBondContact O-CG2 3.1Å; E924-V928 PolarHBondContact O-N 2.72Å; E924-L1004 HydrophobicContact CG-CD2 4.27Å; E924-L1008 HydrophobicContact CB-CD1 3.93Å; E924-L1008 HydrophobicContact CG-CD1 3.67Å
925L94.6Very high89.3Confident0 Ų037.4 Ų37.40%021%0.207CC..Hα-helixtrans-60.4-43.6175.2176.764.5000111.3I921 I922 N923 V928 M929 Q1005 L1008 L1012 V1035 I1039I921-L925 PolarHBondContact O-N 3.13Å; I922-L925 PolarHBondContact O-N 3.23Å; N923-L925 VanDerWaalsContact C-N 3.34Å; N923-L925 PolarHBondContact O-N 2.86Å; L925-V928 PolarHBondContact O-N 3.35Å; L925-M929 HydrophobicContact CD1-CG 3.93Å; L925-M929 HydrophobicContact CD1-SD 3.98Å; L925-M929 HydrophobicContact CD2-SD 4.33Å; L925-M929 HydrophobicContact CG-CG 4.25Å; L925-M929 HydrophobicContact CG-SD 3.85Å; L925-M929 WeakPolarHBondContact O-CB 3.38Å; L925-M929 WeakPolarHBondContact O-CG 3.31Å; L925-M929 PolarHBondContact O-N 3.38Å; L925-Q1005 HydrophobicContact CD1-CG 4.12Å; L925-L1008 HydrophobicContact CB-CB 4.38Å; L925-L1008 HydrophobicContact CB-CD1 4.28Å; L925-L1008 HydrophobicContact CD1-CB 4.17Å; L925-L1012 HydrophobicContact CB-CD1 4.43Å; L925-L1012 HydrophobicContact CD2-CD1 3.65Å; L925-V1035 HydrophobicContact CD2-CG1 4.24Å; L925-V1035 HydrophobicContact CG-CG1 4.35Å; L925-I1039 HydrophobicContact CD2-CD1 3.73Å; L925-I1039 HydrophobicContact CD2-CG1 4.42Å; L925-I1039 HydrophobicContact CD2-CG2 4.02Å
926S92.7Very high87.9Confident23 Ų2344.5 Ų44.516%0.16124%0.239CC..Hα-helixtrans-56.3-52.9175.4-155.80000110.7I922 N923 E924 V928 M929 E930 V1035I922-S926 PolarHBondContact O-N 3.11Å; N923-S926 WeakPolarHBondContact O-CB 3.38Å; N923-S926 PolarHBondContact O-N 2.81Å; E924-S926 VanDerWaalsContact C-N 3.33Å; E924-S926 PolarHBondContact O-N 3.38Å; S926-V928 VanDerWaalsContact C-N 3.32Å; S926-V928 PolarHBondContact O-N 3.14Å; S926-M929 PolarHBondContact O-N 2.93Å; S926-M929 VanDerWaalsContact O-N 3.15Å; S926-E930 WeakPolarHBondContact O-CB 3.23Å; S926-E930 WeakPolarHBondContact O-CG 3.37Å; S926-E930 PolarHBondContact O-N 3.4Å; S926-E930 PolarHBondContact OG-OE1 3.47Å; S926-V1035 WeakPolarHBondContact OG-CG2 3.24Å
927N90.1Very high85.8Confident70 Ų7046.2 Ų46.237%0.37426%0.26SS..Hα-helixtrans-57.9-43.5-179.1-67.8-3.3000112.1N923 E924 A931N923-N927 PolarHBondContact ND2-ND2 3.3Å; N923-N927 VanDerWaalsContact O-CG 3.32Å; N923-N927 PolarHBondContact O-N 3.33Å; N923-N927 PolarHBondContact O-OD1 3.46Å; E924-N927 PolarHBondContact O-N 3.42Å; N927-A931 WeakPolarHBondContact O-CB 3.5Å; N927-A931 PolarHBondContact O-N 3.23Å
928V89Confident83Confident23 Ų2350.5 Ų50.514%0.13929%0.286CS..Hα-helixtrans-71.2-37.3179.8177.40000111.5E924 L925 S926 A931 N932 L1004 Q1005E924-V928 HydrophobicContact CG-CG2 4.4Å; E924-V928 VanDerWaalsContact O-CG2 3.26Å; E924-V928 WeakPolarHBondContact O-CG2 3.1Å; E924-V928 PolarHBondContact O-N 2.72Å; L925-V928 PolarHBondContact O-N 3.35Å; S926-V928 VanDerWaalsContact C-N 3.32Å; S926-V928 PolarHBondContact O-N 3.14Å; V928-A931 PolarHBondContact O-N 2.99Å; V928-N932 VanDerWaalsContact O-CB 3.3Å; V928-N932 WeakPolarHBondContact O-CB 3.21Å; V928-N932 PolarHBondContact O-N 3.06Å; V928-L1004 HydrophobicContact CG2-CD2 3.74Å; V928-L1004 HydrophobicContact CG2-CG 4.18Å; V928-Q1005 HydrophobicContact CG1-CB 3.76Å
929M88.2Confident80.4Confident48 Ų4854.6 Ų54.624%0.23631%0.313CS..Hα-helixtrans-63.6-44.5175.2-76.2-17963.700111.3L925 S926 N932 A933 Q1005 T1038 I1039L925-M929 HydrophobicContact CD1-CG 3.93Å; L925-M929 HydrophobicContact CD1-SD 3.98Å; L925-M929 HydrophobicContact CD2-SD 4.33Å; L925-M929 HydrophobicContact CG-CG 4.25Å; L925-M929 HydrophobicContact CG-SD 3.85Å; L925-M929 WeakPolarHBondContact O-CB 3.38Å; L925-M929 WeakPolarHBondContact O-CG 3.31Å; L925-M929 PolarHBondContact O-N 3.38Å; S926-M929 PolarHBondContact O-N 2.93Å; S926-M929 VanDerWaalsContact O-N 3.15Å; M929-N932 PolarHBondContact O-N 2.87Å; M929-A933 VanDerWaalsContact O-CB 3.26Å; M929-A933 WeakPolarHBondContact O-CB 3.26Å; M929-A933 PolarHBondContact O-N 3.22Å; M929-Q1005 HydrophobicContact CG-CG 4.12Å; M929-T1038 WeakPolarHBondContact CE-OG1 3.42Å; M929-I1039 HydrophobicContact SD-CG2 4.33Å
930E85.2Confident77.6Confident108 Ų10857.1 Ų57.151%0.50534%0.336SS..Hα-helixtrans-61.2-49.3175.5-73162.9-147.500110.8S926 N932 A933 A934S926-E930 WeakPolarHBondContact O-CB 3.23Å; S926-E930 WeakPolarHBondContact O-CG 3.37Å; S926-E930 PolarHBondContact O-N 3.4Å; S926-E930 PolarHBondContact OG-OE1 3.47Å; E930-N932 PolarHBondContact O-N 3.18Å; E930-A933 PolarHBondContact O-N 2.9Å; E930-A934 PolarHBondContact O-N 2.94Å
931A81.9Confident74.3Confident45 Ų4564.7 Ų64.737%0.37237%0.371SS..Hα-helixtrans-61.1-40.7177.700000113N927 V928 R935N927-A931 WeakPolarHBondContact O-CB 3.5Å; N927-A931 PolarHBondContact O-N 3.23Å; V928-A931 PolarHBondContact O-N 2.99Å; A931-R935 WeakPolarHBondContact O-CG 3.47Å; A931-R935 PolarHBondContact O-N 3.4Å
932N82.7Confident71.2Confident36 Ų3676.7 Ų76.719%0.19342%0.417CS..Hα-helixtrans-73.1-34.2177.7-76.9-16.4000112.5V928 M929 E930 R935 Q936 Q1005V928-N932 VanDerWaalsContact O-CB 3.3Å; V928-N932 WeakPolarHBondContact O-CB 3.21Å; V928-N932 PolarHBondContact O-N 3.06Å; M929-N932 PolarHBondContact O-N 2.87Å; E930-N932 PolarHBondContact O-N 3.18Å; N932-R935 PolarHBondContact O-N 2.79Å; N932-Q936 WeakPolarHBondContact O-CB 3.38Å; N932-Q936 VanDerWaalsContact O-CG 3.32Å; N932-Q936 WeakPolarHBondContact O-CG 3.39Å; N932-Q936 PolarHBondContact O-N 3.47Å; N932-Q1005 PolarHBondContact ND2-OE1 3.01Å
933A79.6Confident68.1Low59 Ų5981 Ų8149%0.48845%0.447SS..Hα-helixtrans-64.1-42.8172.800000110.9M929 E930 Q936 A937M929-A933 VanDerWaalsContact O-CB 3.26Å; M929-A933 WeakPolarHBondContact O-CB 3.26Å; M929-A933 PolarHBondContact O-N 3.22Å; E930-A933 PolarHBondContact O-N 2.9Å; A933-Q936 PolarHBondContact O-N 3.32Å; A933-A937 WeakPolarHBondContact O-CB 3.3Å; A933-A937 PolarHBondContact O-N 3.49Å
934A72.9Confident64.8Low63 Ų6385.9 Ų85.952%0.52147%0.468SS..Hα-helixtrans-60.7-44.4174.400000112.1E930 Q936 A937E930-A934 PolarHBondContact O-N 2.94Å; A934-Q936 VanDerWaalsContact C-N 3.34Å; A934-Q936 PolarHBondContact O-N 2.99Å; A934-A937 WeakPolarHBondContact O-CB 3.48Å; A934-A937 PolarHBondContact O-N 3.2Å
935R69Low62Low156 Ų15692.3 Ų92.359%0.58950%0.503SS*.Hα-helixtrans-65.4-33.1175.6-73.1176.1-178.1157.9-2113.9A931 N932A931-R935 WeakPolarHBondContact O-CG 3.47Å; A931-R935 PolarHBondContact O-N 3.4Å; N932-R935 PolarHBondContact O-N 2.79Å
936Q64Low58.8Low153 Ų15399.8 Ų99.872%0.71554%0.543SS*.Hα-helixtrans-81.9-20.8178.7-74.2178.514.500113.1N932 A933 A934 T938N932-Q936 WeakPolarHBondContact O-CB 3.38Å; N932-Q936 VanDerWaalsContact O-CG 3.32Å; N932-Q936 WeakPolarHBondContact O-CG 3.39Å; N932-Q936 PolarHBondContact O-N 3.47Å; A933-Q936 PolarHBondContact O-N 3.32Å; A934-Q936 VanDerWaalsContact C-N 3.34Å; A934-Q936 PolarHBondContact O-N 2.99Å; Q936-T938 PolarHBondContact O-N 3.33Å; Q936-T938 PolarHBondContact O-OG1 2.99Å
937A51.8Low55.7Low69 Ų69103.2 Ų103.257%0.5757%0.567SS**  trans-67.766.817000000110.2A933 A934A933-A937 WeakPolarHBondContact O-CB 3.3Å; A933-A937 PolarHBondContact O-N 3.49Å; A934-A937 WeakPolarHBondContact O-CB 3.48Å; A934-A937 PolarHBondContact O-N 3.2Å
938T35.8Very low52.9Low91 Ų91106 Ų10656%0.55858%0.582SS**  trans-57.2134.7163.925.90000107.5Q936 A940Q936-T938 PolarHBondContact O-N 3.33Å; Q936-T938 PolarHBondContact O-OG1 2.99Å; T938-A940 PolarHBondContact O-N 3.11Å
939P42.3Very low50.1Low86 Ų86110.7 Ų110.756%0.55861%0.606SS**THydrogen-bonded Turntrans-64.612.5179-20.831.4000115.1
940A35.8Very low47.4Very low66 Ų66115.3 Ų115.355%0.54563%0.629SS.*THydrogen-bonded Turntrans-88.1-18.1-174.900000114.6T938 S943T938-A940 PolarHBondContact O-N 3.11Å; A940-S943 PolarHBondContact O-OG 3.38Å
941E25.4Very low45.1Very low169 Ų169116.9 Ų116.979%0.7963%0.63SS**SBendtrans-107.312-171.9-70.9-167.8167.800116.5S943E941-S943 PolarHBondContact O-N 3.37Å
942W32.2Very low42.4Very low253 Ų253122.2 Ų122.296%0.95865%0.647SS**SBendtrans-80.921.9156.7-65.379.9000112.2
943S29.9Very low39.9Very low92 Ų92128.5 Ų128.564%0.64368%0.681SS**  trans-115.345.717371.80000112A940 E941A940-S943 PolarHBondContact O-OG 3.38Å; E941-S943 PolarHBondContact O-N 3.37Å
944Q23.7Very low37.5Very low168 Ų168134.5 Ų134.579%0.78570%0.699SS**SBendtrans-151.1100.2162.9-115.6161.572.500111.2D946Q944-D946 PolarHBondContact O-N 2.86Å
945D35Very low35.5Very low161 Ų161140.5 Ų140.586%0.86172%0.716SS**  trans38.144.3139.7-75.4-14.6000120.6
946D28.4Very low33.6Very low157 Ų157141.6 Ų141.684%0.8473%0.728SS**  trans-103.495.2150.6-88.5-34.2000110.4Q944 N948Q944-D946 PolarHBondContact O-N 2.86Å; D946-N948 VanDerWaalsContact C-N 3.26Å; D946-N948 PolarHBondContact O-N 2.71Å
947S27.4Very low31.9Very low95 Ų95143.2 Ų143.266%0.66474%0.736SS**  trans-47.289.1158.6490000110.2D949S947-D949 PolarHBondContact O-N 2.88Å
948N31.3Very low30.8Very low129 Ų129149.1 Ų149.169%0.6975%0.751SS**  trans-7871.3162.8-134.1-18000108.1D946 M950D946-N948 VanDerWaalsContact C-N 3.26Å; D946-N948 PolarHBondContact O-N 2.71Å; N948-M950 PolarHBondContact O-N 3.07Å; N948-M950 WeakPolarHBondContact OD1-CG 3.37Å
949D28.9Very low30.5Very low121 Ų121153.4 Ų153.465%0.64777%0.765SS**  trans-72.832.4175.8-114.1-11.2000111.6S947 W951S947-D949 PolarHBondContact O-N 2.88Å; D949-W951 PolarHBondContact O-N 2.96Å
950M32Very low29.8Very low145 Ų145158.6 Ų158.671%0.71478%0.782SS**THydrogen-bonded Turntrans-72.320.9178.7-72.1-69.6-160.900114N948N948-M950 PolarHBondContact O-N 3.07Å; N948-M950 WeakPolarHBondContact OD1-CG 3.37Å
951W37.1Very low29.5Very low140 Ų140163.7 Ų163.753%0.5380%0.795SS.*THydrogen-bonded Turntrans-139.210.6-176-6477.4000114.9K281 D949K281-W951 HydrophobicContact CD-CG 4.49Å; K281-W951 VanDerWaalsContact NZ-CG 3.27Å; K281-W951 VanDerWaalsContact NZ-NE1 3.15Å; D949-W951 PolarHBondContact O-N 2.96Å
952E25.9Very low29.5Very low157 Ų157164.6 Ų164.673%0.73480%0.799SS**SBendtrans-117.6126.4161.5-71.7-163.6176.300110.1Q954E952-Q954 PolarHBondContact O-N 3.44Å
953D30.5Very low29.5Very low169 Ų169160.4 Ų160.490%0.90480%0.795SS**  trans-51.1104.8-179-58.4-54.9000111.7
954Q28.6Very low29.6Very low184 Ų184158.6 Ų158.686%0.8679%0.791SS**  trans-126.3101.7155.5-83.5177.554.800108.8E952 E956E952-Q954 PolarHBondContact O-N 3.44Å; Q954-E956 PolarHBondContact O-N 3.49Å; Q954-E956 VanDerWaalsContact O-N 3.08Å
955E30.7Very low30.3Very low190 Ų190156.8 Ų156.889%0.88879%0.786SS**  trans-51.6105153.1-62.4175.5166.600107.6
956E29Very low30Very low178 Ų178154.4 Ų154.483%0.83279%0.789SS**  trans164.2127.6141.7-88.7167.8-166.600111.5Q954Q954-E956 PolarHBondContact O-N 3.49Å; Q954-E956 VanDerWaalsContact O-N 3.08Å
957E29.3Very low30.3Very low187 Ų187150.1 Ų150.187%0.87478%0.782SS**  trans85.8107.6160.9-60.1-175.6176.800118.9E959E957-E959 PolarHBondContact O-N 3.04Å
958E28.1Very low30.7Very low193 Ų193151 Ų15190%0.90278%0.776SS**  trans-59.4103.9169.8-62.2165.2168.300110.6
959E28.9Very low30.9Very low181 Ų181150.3 Ų150.385%0.84677%0.771SS**  trans-117.1109.4151.6-72.8-168.917000108.1E957 E961E957-E959 PolarHBondContact O-N 3.04Å; E959-E961 VanDerWaalsContact C-N 3.3Å; E959-E961 PolarHBondContact O-N 3.32Å
960E28.3Very low31.6Very low195 Ų195150.8 Ų150.891%0.91177%0.773SS**  trans-65.981.4176.8-65.6175162.900110
961E28.1Very low31.9Very low174 Ų174147 Ų14781%0.81376%0.761SS**  trans-97.280.9158.7-73.4-168.7171.600108.9E959 D963E959-E961 VanDerWaalsContact C-N 3.3Å; E959-E961 PolarHBondContact O-N 3.32Å; E961-D963 PolarHBondContact O-N 3.45Å
962E26.9Very low31.9Very low187 Ų187143.5 Ų143.587%0.87475%0.753SS**  trans-85.441.1176.9-151.2-179.4-153.300112
963D30.5Very low32.8Very low165 Ų165140.6 Ų140.688%0.88274%0.741SS**  trans-110.534.8178.6-84.3-22.5000113.1E961 L965E961-D963 PolarHBondContact O-N 3.45Å; D963-L965 PolarHBondContact O-N 3.35Å
964G32.7Very low33.1Very low55 Ų55136.7 Ų136.757%0.56772%0.72SS**SBendtrans-85.485.9168.900000112A966G964-A966 PolarHBondContact O-N 2.86Å
965L38.2Very low33.6Very low129 Ų129131 Ų13168%0.67570%0.704SS**SBendtrans72.86.7152.8-56.8164.2000119.1D963 G967D963-L965 PolarHBondContact O-N 3.35Å; L965-G967 PolarHBondContact O-N 3.41Å
966A28.7Very low33.9Very low111 Ų111127.2 Ų127.292%0.91769%0.694SS**THydrogen-bonded Turntrans-74.885.2170.200000110.9G964G964-A966 PolarHBondContact O-N 2.86Å
967G36.1Very low34.1Very low68 Ų68121.3 Ų121.370%0.70167%0.672SS**THydrogen-bonded Turntrans156.1-4.4173.900000117.5L965 L969L965-G967 PolarHBondContact O-N 3.41Å; G967-L969 PolarHBondContact O-N 2.92Å
968Q35Very low34.3Very low114 Ų114118.4 Ų118.453%0.53366%0.657SS.*  trans-69122.5-179.7-76.9-176.4-10.200111.4D972Q968-D972 VanDerWaalsContact CA-OD2 3.27Å; Q968-D972 WeakPolarHBondContact CA-OD2 3.39Å; Q968-D972 HydrophobicContact CB-CB 3.98Å; Q968-D972 HydrophobicContact CG-CB 3.97Å
969L34.8Very low34.6Very low114 Ų114116.6 Ų116.660%0.59764%0.643SS**  trans-77.3162.1171.5-75.4166.8000109.3G967 S971 D972G967-L969 PolarHBondContact O-N 2.92Å; L969-S971 WeakPolarHBondContact CB-OG 3.3Å; L969-S971 PolarHBondContact O-N 3.23Å; L969-D972 PolarHBondContact N-OD2 2.92Å; L969-D972 WeakPolarHBondContact O-CB 3.43Å; L969-D972 PolarHBondContact O-N 3.48Å
970L43.6Very low34.8Very low130 Ų130110.4 Ų110.468%0.68161%0.614SS**Hα-helixtrans-51.1-31.1175.9-164.278.1000112D972 I973 L974L970-D972 VanDerWaalsContact C-N 3.32Å; L970-D972 PolarHBondContact O-N 3.4Å; L970-I973 PolarHBondContact O-N 3.27Å; L970-L974 HydrophobicContact CD2-CD1 4.22Å; L970-L974 HydrophobicContact CG-CD1 4.04Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CD1 3.38Å; L970-L974 WeakPolarHBondContact O-CG 3.36Å; L970-L974 PolarHBondContact O-N 2.92Å
971S39.1Very low35Very low66 Ų66108.8 Ų108.846%0.46261%0.607SS.*Hα-helixtrans-59.1-37.5173.551.10000113.5L969 L974 A975L969-S971 WeakPolarHBondContact CB-OG 3.3Å; L969-S971 PolarHBondContact O-N 3.23Å; S971-L974 PolarHBondContact O-N 3.23Å; S971-A975 WeakPolarHBondContact O-CB 3.39Å; S971-A975 PolarHBondContact O-N 3.04Å
972D37.5Very low35.3Very low66 Ų66107.4 Ų107.435%0.35361%0.605SS.*Hα-helixtrans-74.1-34.6-177.3-56.3-34.4000111.2Q968 L969 L970 T976Q968-D972 VanDerWaalsContact CA-OD2 3.27Å; Q968-D972 WeakPolarHBondContact CA-OD2 3.39Å; Q968-D972 HydrophobicContact CB-CB 3.98Å; Q968-D972 HydrophobicContact CG-CB 3.97Å; L969-D972 PolarHBondContact N-OD2 2.92Å; L969-D972 WeakPolarHBondContact O-CB 3.43Å; L969-D972 PolarHBondContact O-N 3.48Å; L970-D972 VanDerWaalsContact C-N 3.32Å; L970-D972 PolarHBondContact O-N 3.4Å; D972-T976 PolarHBondContact O-N 3.13Å; D972-T976 PolarHBondContact O-OG1 3.14Å; D972-T976 VanDerWaalsContact O-OG1 3.12Å
973I43.6Very low35.7Very low96 Ų96105.2 Ų105.249%0.49259%0.589SS.*Hα-helixtrans-68.5-39.6173.6-60.2173.3000110.2L970 T976L970-I973 PolarHBondContact O-N 3.27Å; I973-T976 PolarHBondContact O-OG1 3.07Å
974L37.6Very low35.9Very low87 Ų87103.2 Ų103.246%0.45557%0.571SS.*Hα-helixtrans-71.6-41.7178-68.9168.4000111.9L970 S971 T976 S977L970-L974 HydrophobicContact CD2-CD1 4.22Å; L970-L974 HydrophobicContact CG-CD1 4.04Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CD1 3.38Å; L970-L974 WeakPolarHBondContact O-CG 3.36Å; L970-L974 PolarHBondContact O-N 2.92Å; S971-L974 PolarHBondContact O-N 3.23Å; L974-T976 PolarHBondContact O-N 3.23Å; L974-S977 WeakPolarHBondContact O-CB 3.5Å; L974-S977 PolarHBondContact O-N 2.99Å; L974-S977 PolarHBondContact O-OG 2.72Å
975A39.6Very low36.1Very low64 Ų64107.5 Ų107.553%0.52958%0.576SS.*Hα-helixtrans-63.8-23.5178.900000113.6S971 S977S971-A975 WeakPolarHBondContact O-CB 3.39Å; S971-A975 PolarHBondContact O-N 3.04Å; A975-S977 PolarHBondContact O-N 3.1Å
976T36.9Very low36.3Very low112 Ų112108.5 Ų108.569%0.68758%0.582SS**THydrogen-bonded Turntrans-65.9-18.5170.713.50000113.7D972 I973 L974 K978D972-T976 PolarHBondContact O-N 3.13Å; D972-T976 PolarHBondContact O-OG1 3.14Å; D972-T976 VanDerWaalsContact O-OG1 3.12Å; I973-T976 PolarHBondContact O-OG1 3.07Å; L974-T976 PolarHBondContact O-N 3.23Å; T976-K978 PolarHBondContact O-N 3.37Å; T976-K978 VanDerWaalsContact O-N 3.14Å
977S32.1Very low37.3Very low53 Ų53108.5 Ų108.537%0.37157%0.566SS.*SBendtrans-78.497.817172.50000108.9L974 A975 Y979 E980L974-S977 WeakPolarHBondContact O-CB 3.5Å; L974-S977 PolarHBondContact O-N 2.99Å; L974-S977 PolarHBondContact O-OG 2.72Å; A975-S977 PolarHBondContact O-N 3.1Å; S977-Y979 PolarHBondContact O-N 2.64Å; S977-E980 PolarHBondContact O-N 3.28Å
978K35.1Very low38.4Very low127 Ų127112.2 Ų112.255%0.55257%0.566SS**THydrogen-bonded Turntrans-55.29.1178.2-70.6-179.6172.8-178.10116.2D412 T976 E980D412-K978 IonicContact OD1-NZ 3.97Å; D412-K978 PolarHBondContact OD1-NZ 3.43Å; T976-K978 PolarHBondContact O-N 3.37Å; T976-K978 VanDerWaalsContact O-N 3.14Å; K978-E980 PolarHBondContact O-N 3.36Å
979Y32.6Very low40.5Very low154 Ų154108.2 Ų108.260%0.60455%0.547SS*.THydrogen-bonded Turntrans-78.3-4.9175-73.8-81000112.6S977 Y983S977-Y979 PolarHBondContact O-N 2.64Å; Y979-Y983 WeakPolarHBondContact O-CD2 3.22Å
980E33.6Very low42.6Very low51 Ų51109.6 Ų109.624%0.23856%0.555CS.*  trans-98.6-4.8-169.2-70.7-167.9148.500116.2S977 K978 D982 Y983 Y984S977-E980 PolarHBondContact O-N 3.28Å; K978-E980 PolarHBondContact O-N 3.36Å; E980-D982 PolarHBondContact O-N 2.95Å; E980-Y983 PolarHBondContact O-N 3.12Å; E980-Y983 VanDerWaalsContact O-N 3.16Å; E980-Y984 HydrophobicContact CB-CD2 3.64Å; E980-Y984 HydrophobicContact CB-CE2 3.58Å; E980-Y984 HydrophobicContact CG-CD2 4.07Å; E980-Y984 HydrophobicContact CG-CE2 3.46Å; E980-Y984 VanDerWaalsContact CG-CE2 3.46Å; E980-Y984 WeakPolarHBondContact O-CD2 3.47Å; E980-Y984 PolarHBondContact O-N 3.16Å; E980-Y984 WeakPolarHBondContact OE1-CE2 3.47Å; E980-Y984 PolarHBondContact OE1-OH 3.09Å; E980-Y984 WeakPolarHBondContact OE2-CE2 3.42Å
981E32.6Very low44.7Very low162 Ų162104.3 Ų104.376%0.75753%0.527SS*.THydrogen-bonded Turntrans-59.1-30.7179.3-94-176.8-177.300112.9
982D34.6Very low47Very low144 Ų144103.2 Ų103.277%0.7752%0.519SS*.THydrogen-bonded Turntrans-91.4-18.6178.5-66.4-27.1000113.4E980E980-D982 PolarHBondContact O-N 2.95Å
983Y34.9Very low49.5Very low141 Ų141101.4 Ų101.455%0.55351%0.509SS*.THydrogen-bonded Turntrans-91.3-17.8-175.7-75.9-77.1000114.3D392 Y979 E980D392-Y983 PolarHBondContact OD1-OH 3.03Å; Y979-Y983 WeakPolarHBondContact O-CD2 3.22Å; E980-Y983 PolarHBondContact O-N 3.12Å; E980-Y983 VanDerWaalsContact O-N 3.16Å
984Y34.8Very low51.7Low124 Ų12496.9 Ų96.949%0.48649%0.486SS..SBendtrans-107.918.8-179.6-66.7-100.6000113.9E980 D986 D987E980-Y984 HydrophobicContact CB-CD2 3.64Å; E980-Y984 HydrophobicContact CB-CE2 3.58Å; E980-Y984 HydrophobicContact CG-CD2 4.07Å; E980-Y984 HydrophobicContact CG-CE2 3.46Å; E980-Y984 VanDerWaalsContact CG-CE2 3.46Å; E980-Y984 WeakPolarHBondContact O-CD2 3.47Å; E980-Y984 PolarHBondContact O-N 3.16Å; E980-Y984 WeakPolarHBondContact OE1-CE2 3.47Å; E980-Y984 PolarHBondContact OE1-OH 3.09Å; E980-Y984 WeakPolarHBondContact OE2-CE2 3.42Å; Y984-D986 PolarHBondContact O-N 3.45Å; Y984-D987 PolarHBondContact O-N 3.15Å
985E37.8Very low54.2Low144 Ų14496.3 Ų96.367%0.67348%0.483SS*.G310 helixtrans-62.9-18.8158.2-73.2-166.5161.400111.2D987 E988E985-D987 PolarHBondContact O-N 2.81Å; E985-D987 VanDerWaalsContact O-N 3.16Å; E985-E988 PolarHBondContact O-N 3.45Å
986D41.8Very low56.5Low150 Ų150100.6 Ų100.680%0.80249%0.49SS*.G310 helixtrans-68-5.2176.3-84.2-8.7000115.2Y984 E988Y984-D986 PolarHBondContact O-N 3.45Å; D986-E988 PolarHBondContact O-N 2.77Å
987D49.8Very low59Low112 Ų11297.3 Ų97.360%0.59947%0.468SS*.G310 helixtrans-76.9-1.8173-95.4-7000113.1Y984 E985Y984-D987 PolarHBondContact O-N 3.15Å; E985-D987 PolarHBondContact O-N 2.81Å; E985-D987 VanDerWaalsContact O-N 3.16Å
988E60Low61.8Low146 Ų14699.7 Ų99.768%0.68248%0.482SS*.SBendtrans-70.7128.5176.7-69.7-164.816900112.1E985 D986 D990E985-E988 PolarHBondContact O-N 3.45Å; D986-E988 PolarHBondContact O-N 2.77Å; E988-D990 PolarHBondContact O-N 3.38Å
989E78.2Confident64.4Low30 Ų3094.7 Ų94.714%0.1446%0.461CS..  trans-66107176.5176.563.4-111.500111.2Y854 D991 A994 L995 Y1000Y854-E989 VanDerWaalsContact CB-OE2 3.25Å; Y854-E989 WeakPolarHBondContact CB-OE2 3.39Å; E989-D991 WeakPolarHBondContact OE1-CB 3.5Å; E989-D991 PolarHBondContact OE1-N 2.86Å; E989-A994 HydrophobicContact CG-CB 3.69Å; E989-L995 HydrophobicContact CB-CD2 4.29Å; E989-L995 HydrophobicContact CG-CD2 4.35Å; E989-L995 HydrophobicContact CG-CG 4.35Å; E989-L995 WeakPolarHBondContact O-CD1 3.19Å; E989-L995 VanDerWaalsContact O-CD2 3.28Å; E989-L995 WeakPolarHBondContact O-CD2 3.41Å; E989-L995 VanDerWaalsContact O-CG 3.26Å; E989-L995 WeakPolarHBondContact O-CG 3.18Å; E989-Y1000 HydrophobicContact CB-CD2 4.46Å; E989-Y1000 HydrophobicContact CB-CE2 3.58Å; E989-Y1000 WeakPolarHBondContact CB-OH 3.48Å; E989-Y1000 HydrophobicContact CG-CD2 4.38Å; E989-Y1000 HydrophobicContact CG-CE2 3.97Å
990D78.5Confident67.1Low143 Ų14389 Ų8977%0.76544%0.439SS*.  trans-87.7-10.3-179.9-86.4-22.6000114.7E988 P992E988-D990 PolarHBondContact O-N 3.38Å; D990-P992 WeakPolarHBondContact O-CD 3.41Å
991D87.5Confident69.7Low18 Ų1893.4 Ų93.410%0.09646%0.459CS..  trans-71.3113.8179.9-170.1-16.3000110.5R718 E989 D993 A994 L995R718-D991 IonicContact CZ-OD1 3.02Å; R718-D991 IonicContact CZ-OD2 2.71Å; R718-D991 IonicContact NH1-OD1 3.56Å; R718-D991 PolarHBondContact NH1-OD1 3.39Å; R718-D991 IonicContact NH1-OD2 3.26Å; R718-D991 PolarHBondContact NH1-OD2 3.5Å; R718-D991 IonicContact NH2-OD1 2.76Å; R718-D991 PolarHBondContact NH2-OD1 3.37Å; R718-D991 IonicContact NH2-OD2 3.3Å; R718-D991 PolarHBondContact NH2-OD2 2.98Å; E989-D991 WeakPolarHBondContact OE1-CB 3.5Å; E989-D991 PolarHBondContact OE1-N 2.86Å; D991-D993 PolarHBondContact O-N 2.99Å; D991-D993 WeakPolarHBondContact OD1-CB 3.37Å; D991-D993 PolarHBondContact OD1-N 3.28Å; D991-A994 HydrophobicContact CB-CB 3.93Å; D991-A994 PolarHBondContact O-N 3.47Å; D991-L995 PolarHBondContact O-N 3.23Å
992P87.7Confident72.5Confident44 Ų4487.6 Ų87.629%0.28643%0.433SS..THydrogen-bonded Turntrans-66.1-14.3-179.330.1-38.8000113.4R679 D990 K996R679-P992 VanDerWaalsContact NH1-CG 3.35Å; D990-P992 WeakPolarHBondContact O-CD 3.41Å; P992-K996 WeakPolarHBondContact O-CD 3.31Å; P992-K996 WeakPolarHBondContact O-CE 3.41Å; P992-K996 WeakPolarHBondContact O-CG 3.48Å
993D90.9Very high75.2Confident27 Ų2785.4 Ų85.414%0.14442%0.421CS..THydrogen-bonded Turntrans-80.5-39.3171.7-66.5-9.7000111.2R679 R718 S722 T769 D991 K996 D997R679-D993 IonicContact NH1-OD1 2.79Å; R679-D993 IonicContact NH1-OD2 3.62Å; R718-D993 IonicContact CZ-OD2 3.42Å; R718-D993 IonicContact NH1-OD2 3.69Å; R718-D993 PolarHBondContact NH1-OD2 3.39Å; S722-D993 WeakPolarHBondContact CB-OD1 3.19Å; S722-D993 WeakPolarHBondContact CB-OD2 3.28Å; S722-D993 PolarHBondContact OG-OD1 3.28Å; S722-D993 PolarHBondContact OG-OD2 2.85Å; T769-D993 PolarHBondContact OG1-OD2 3.2Å; D991-D993 PolarHBondContact O-N 2.99Å; D991-D993 WeakPolarHBondContact OD1-CB 3.37Å; D991-D993 PolarHBondContact OD1-N 3.28Å; D993-K996 PolarHBondContact O-N 3Å; D993-D997 PolarHBondContact O-N 3.08Å
994A89.6Confident77.9Confident2 Ų279.4 Ų79.42%0.01740%0.399CS..THydrogen-bonded Turntrans-68.3-46.3176.600000111.4Y854 E989 D991 K996 D997 Y1000Y854-A994 HydrophobicContact CD1-CB 3.74Å; Y854-A994 HydrophobicContact CD2-CB 3.93Å; Y854-A994 HydrophobicContact CE1-CB 4.16Å; Y854-A994 HydrophobicContact CE2-CB 4.33Å; Y854-A994 HydrophobicContact CG-CB 3.62Å; E989-A994 HydrophobicContact CG-CB 3.69Å; D991-A994 HydrophobicContact CB-CB 3.93Å; D991-A994 PolarHBondContact O-N 3.47Å; A994-K996 PolarHBondContact O-N 3.47Å; A994-K996 VanDerWaalsContact O-N 3.15Å; A994-D997 WeakPolarHBondContact O-CB 3.32Å; A994-D997 PolarHBondContact O-N 3.17Å; A994-Y1000 WeakPolarHBondContact O-CB 3.31Å
995L89.6Confident80.7Confident75 Ų7576.1 Ų76.139%0.39339%0.388SS..THydrogen-bonded Turntrans-57.2-30176-73.2175.8000113.5E989 D991 Y1000E989-L995 HydrophobicContact CB-CD2 4.29Å; E989-L995 HydrophobicContact CG-CD2 4.35Å; E989-L995 HydrophobicContact CG-CG 4.35Å; E989-L995 WeakPolarHBondContact O-CD1 3.19Å; E989-L995 VanDerWaalsContact O-CD2 3.28Å; E989-L995 WeakPolarHBondContact O-CD2 3.41Å; E989-L995 VanDerWaalsContact O-CG 3.26Å; E989-L995 WeakPolarHBondContact O-CG 3.18Å; D991-L995 PolarHBondContact O-N 3.23Å; L995-Y1000 HydrophobicContact CD2-CD1 4Å; L995-Y1000 HydrophobicContact CD2-CE1 3.51Å
996K88.3Confident83.4Confident154 Ų15471.8 Ų71.867%0.6738%0.377SS*.THydrogen-bonded Turntrans-84.9-14.6177.9-73.9173.7-165.3158.30113.3P992 D993 A994P992-K996 WeakPolarHBondContact O-CD 3.31Å; P992-K996 WeakPolarHBondContact O-CE 3.41Å; P992-K996 WeakPolarHBondContact O-CG 3.48Å; D993-K996 PolarHBondContact O-N 3Å; A994-K996 PolarHBondContact O-N 3.47Å; A994-K996 VanDerWaalsContact O-N 3.15Å
997D89.6Confident85.9Confident42 Ų4267.8 Ų67.823%0.22535%0.351CS..SBendtrans-77126.8179.2-163.5-55.3000110Y854 D993 A994 L999 Y1000Y854-D997 HydrophobicContact CE2-CB 3.74Å; Y854-D997 PolarHBondContact OH-OD2 3.41Å; D993-D997 PolarHBondContact O-N 3.08Å; A994-D997 WeakPolarHBondContact O-CB 3.32Å; A994-D997 PolarHBondContact O-N 3.17Å; D997-L999 PolarHBondContact O-N 3.03Å; D997-L999 VanDerWaalsContact OD1-CB 3.28Å; D997-L999 WeakPolarHBondContact OD1-CB 3.35Å; D997-L999 WeakPolarHBondContact OD1-CG 3.49Å; D997-L999 PolarHBondContact OD1-N 2.85Å; D997-Y1000 WeakPolarHBondContact O-CB 3.46Å; D997-Y1000 PolarHBondContact O-N 3.34Å
998P89.5Confident88.1Confident104 Ų10462.4 Ų62.468%0.67532%0.322SS*.THydrogen-bonded Turntrans-55.2-24.2175.8-25.834.7000114.7Y1000 Q1001P998-Y1000 VanDerWaalsContact C-N 3.27Å; P998-Y1000 PolarHBondContact O-N 3.03Å; P998-Q1001 PolarHBondContact O-N 3.19Å
999L89.8Confident89.8Confident22 Ų2257.1 Ų57.112%0.11530%0.3CS..THydrogen-bonded Turntrans-64.6-31.4176.4-68.6172.2000112.4Y854 V858 V861 D997 Q1001 I1002Y854-L999 HydrophobicContact CE2-CB 4.45Å; V858-L999 HydrophobicContact CG2-CB 4.46Å; V858-L999 HydrophobicContact CG2-CD1 3.94Å; V861-L999 HydrophobicContact CG1-CD2 4.17Å; D997-L999 PolarHBondContact O-N 3.03Å; D997-L999 VanDerWaalsContact OD1-CB 3.28Å; D997-L999 WeakPolarHBondContact OD1-CB 3.35Å; D997-L999 WeakPolarHBondContact OD1-CG 3.49Å; D997-L999 PolarHBondContact OD1-N 2.85Å; L999-Q1001 VanDerWaalsContact C-N 3.27Å; L999-Q1001 PolarHBondContact O-N 3.49Å; L999-I1002 HydrophobicContact CD2-CD1 3.7Å; L999-I1002 WeakPolarHBondContact O-CB 3.47Å; L999-I1002 PolarHBondContact O-N 2.97Å
1000Y89.5Confident90.6Very high35 Ų3560 Ų6014%0.13732%0.316CS..THydrogen-bonded Turntrans-65-34177.8-177.1-109.4000112Q853 Y854 K857 E989 A994 L995 D997 P998 I1002Q853-Y1000 HydrophobicContact CG-CE2 4.48Å; Q853-Y1000 PolarHBondContact OE1-OH 2.88Å; Q853-Y1000 VanDerWaalsContact OE1-OH 3.11Å; Y854-Y1000 HydrophobicContact CD2-CD2 4.25Å; K857-Y1000 PolarHBondContact NZ-O 3.09Å; E989-Y1000 HydrophobicContact CB-CD2 4.46Å; E989-Y1000 HydrophobicContact CB-CE2 3.58Å; E989-Y1000 WeakPolarHBondContact CB-OH 3.48Å; E989-Y1000 HydrophobicContact CG-CD2 4.38Å; E989-Y1000 HydrophobicContact CG-CE2 3.97Å; A994-Y1000 WeakPolarHBondContact O-CB 3.31Å; L995-Y1000 HydrophobicContact CD2-CD1 4Å; L995-Y1000 HydrophobicContact CD2-CE1 3.51Å; D997-Y1000 WeakPolarHBondContact O-CB 3.46Å; D997-Y1000 PolarHBondContact O-N 3.34Å; P998-Y1000 VanDerWaalsContact C-N 3.27Å; P998-Y1000 PolarHBondContact O-N 3.03Å; Y1000-I1002 PolarHBondContact O-N 3.17Å
1001Q89.5Confident91.4Very high142 Ų14253.5 Ų53.566%0.66428%0.281SS*.THydrogen-bonded Turntrans-78.1-1-178.7-59.1-62.7-28.300113.8P998 L999P998-Q1001 PolarHBondContact O-N 3.19Å; L999-Q1001 VanDerWaalsContact C-N 3.27Å; L999-Q1001 PolarHBondContact O-N 3.49Å
1002I90.2Very high91.8Very high40 Ų4052.8 Ų52.821%0.20528%0.277CS..  trans-74.1130.5178.7-64178000109.8K857 V861 L999 Y1000 L1004 Y1007K857-I1002 WeakPolarHBondContact CE-O 3.23Å; K857-I1002 PolarHBondContact NZ-O 3.41Å; V861-I1002 HydrophobicContact CG2-CD1 4.39Å; L999-I1002 HydrophobicContact CD2-CD1 3.7Å; L999-I1002 WeakPolarHBondContact O-CB 3.47Å; L999-I1002 PolarHBondContact O-N 2.97Å; Y1000-I1002 PolarHBondContact O-N 3.17Å; I1002-L1004 PolarHBondContact O-N 2.93Å; I1002-Y1007 HydrophobicContact CG2-CD2 4.29Å; I1002-Y1007 HydrophobicContact CG2-CG 4.11Å
1003D91.5Very high92.1Very high98 Ų9852.4 Ų52.452%0.52428%0.275SS..  trans-71.9103.5160.5179.6-16.8000108.3Q1005 A1006 Y1007D1003-Q1005 VanDerWaalsContact C-N 3.35Å; D1003-Q1005 PolarHBondContact O-N 3.04Å; D1003-Q1005 PolarHBondContact OD1-N 3.22Å; D1003-A1006 HydrophobicContact CB-CB 4.02Å; D1003-A1006 PolarHBondContact OD1-N 3.38Å; D1003-A1006 VanDerWaalsContact OD1-N 3.08Å; D1003-Y1007 VanDerWaalsContact O-CB 3.25Å; D1003-Y1007 WeakPolarHBondContact O-CB 3.48Å; D1003-Y1007 PolarHBondContact O-N 2.84Å
1004L91.9Very high92.1Very high15 Ų1555.4 Ų55.48%0.07929%0.289CS..Hα-helixtrans-66.8-36.7-174.4-171.659.7000111.6K857 V861 E924 V928 I1002 Y1007 L1008K857-L1004 HydrophobicContact CG-CB 4.36Å; K857-L1004 HydrophobicContact CG-CD2 4.12Å; V861-L1004 HydrophobicContact CG2-CD1 4.37Å; E924-L1004 HydrophobicContact CG-CD2 4.27Å; V928-L1004 HydrophobicContact CG2-CD2 3.74Å; V928-L1004 HydrophobicContact CG2-CG 4.18Å; I1002-L1004 PolarHBondContact O-N 2.93Å; L1004-Y1007 PolarHBondContact O-N 3.17Å; L1004-L1008 HydrophobicContact CD1-CD1 4.05Å; L1004-L1008 HydrophobicContact CD1-CD2 4.2Å; L1004-L1008 HydrophobicContact CD1-CG 3.87Å; L1004-L1008 HydrophobicContact CG-CD1 3.94Å; L1004-L1008 HydrophobicContact CG-CG 4.15Å; L1004-L1008 WeakPolarHBondContact O-CB 3.31Å; L1004-L1008 VanDerWaalsContact O-CG 3.24Å; L1004-L1008 WeakPolarHBondContact O-CG 3.38Å; L1004-L1008 PolarHBondContact O-N 3.35Å
1005Q93.5Very high92.2Very high56 Ų5655.6 Ų55.626%0.26229%0.289SS..Hα-helixtrans-64.2-50.2178.8-172.1179.5-17.700110.4L925 V928 M929 N932 D1003 Y1007 L1008 T1009L925-Q1005 HydrophobicContact CD1-CG 4.12Å; V928-Q1005 HydrophobicContact CG1-CB 3.76Å; M929-Q1005 HydrophobicContact CG-CG 4.12Å; N932-Q1005 PolarHBondContact ND2-OE1 3.01Å; D1003-Q1005 VanDerWaalsContact C-N 3.35Å; D1003-Q1005 PolarHBondContact O-N 3.04Å; D1003-Q1005 PolarHBondContact OD1-N 3.22Å; Q1005-Y1007 VanDerWaalsContact C-N 3.32Å; Q1005-Y1007 PolarHBondContact O-N 2.9Å; Q1005-L1008 PolarHBondContact O-N 3.24Å; Q1005-T1009 VanDerWaalsContact O-CB 3.25Å; Q1005-T1009 WeakPolarHBondContact O-CB 3.33Å; Q1005-T1009 PolarHBondContact O-N 2.96Å; Q1005-T1009 PolarHBondContact O-OG1 2.67Å
1006A93.7Very high92.2Very high53 Ų5353.3 Ų53.344%0.43828%0.281SS..Hα-helixtrans-61.7-42.617900000111.3D1003 D1010D1003-A1006 HydrophobicContact CB-CB 4.02Å; D1003-A1006 PolarHBondContact OD1-N 3.38Å; D1003-A1006 VanDerWaalsContact OD1-N 3.08Å; A1006-D1010 WeakPolarHBondContact O-CB 3.41Å; A1006-D1010 PolarHBondContact O-N 2.81Å
1007Y95.5Very high92.3Very high65 Ų6553.7 Ų53.726%0.25529%0.285SS..Hα-helixtrans-63.3-49.5178.9-179.6-88.7000112.5V861 C864 I1002 D1003 L1004 Q1005 D1010 F1011V861-Y1007 HydrophobicContact CB-CE1 4.31Å; V861-Y1007 HydrophobicContact CG1-CE1 4.16Å; V861-Y1007 HydrophobicContact CG2-CD1 4.02Å; V861-Y1007 HydrophobicContact CG2-CE1 3.82Å; C864-Y1007 HydrophobicContact CB-CE1 4.04Å; I1002-Y1007 HydrophobicContact CG2-CD2 4.29Å; I1002-Y1007 HydrophobicContact CG2-CG 4.11Å; D1003-Y1007 VanDerWaalsContact O-CB 3.25Å; D1003-Y1007 WeakPolarHBondContact O-CB 3.48Å; D1003-Y1007 PolarHBondContact O-N 2.84Å; L1004-Y1007 PolarHBondContact O-N 3.17Å; Q1005-Y1007 VanDerWaalsContact C-N 3.32Å; Q1005-Y1007 PolarHBondContact O-N 2.9Å; Y1007-D1010 PolarHBondContact O-N 2.72Å; Y1007-F1011 VanDerWaalsContact O-CB 3.24Å; Y1007-F1011 WeakPolarHBondContact O-CB 3.4Å; Y1007-F1011 PolarHBondContact O-N 3.26Å
1008L95.6Very high92.2Very high0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-67.2-37.3-179.6-66.7-176.2000111.9I921 E924 L925 L1004 Q1005 F1011 L1012I921-L1008 HydrophobicContact CG2-CD2 4.03Å; E924-L1008 HydrophobicContact CB-CD1 3.93Å; E924-L1008 HydrophobicContact CG-CD1 3.67Å; L925-L1008 HydrophobicContact CB-CB 4.38Å; L925-L1008 HydrophobicContact CB-CD1 4.28Å; L925-L1008 HydrophobicContact CD1-CB 4.17Å; L1004-L1008 HydrophobicContact CD1-CD1 4.05Å; L1004-L1008 HydrophobicContact CD1-CD2 4.2Å; L1004-L1008 HydrophobicContact CD1-CG 3.87Å; L1004-L1008 HydrophobicContact CG-CD1 3.94Å; L1004-L1008 HydrophobicContact CG-CG 4.15Å; L1004-L1008 WeakPolarHBondContact O-CB 3.31Å; L1004-L1008 VanDerWaalsContact O-CG 3.24Å; L1004-L1008 WeakPolarHBondContact O-CG 3.38Å; L1004-L1008 PolarHBondContact O-N 3.35Å; Q1005-L1008 PolarHBondContact O-N 3.24Å; L1008-F1011 PolarHBondContact O-N 2.98Å; L1008-L1012 WeakPolarHBondContact O-CB 3.46Å; L1008-L1012 WeakPolarHBondContact O-CG 3.18Å; L1008-L1012 PolarHBondContact O-N 3.24Å
1009T94.8Very high91.9Very high35 Ų3555.1 Ų55.122%0.21529%0.292CS..Hα-helixtrans-61.5-52.2175.5-60.10000111.1Q1005 F1011 L1012 C1013 I1039Q1005-T1009 VanDerWaalsContact O-CB 3.25Å; Q1005-T1009 WeakPolarHBondContact O-CB 3.33Å; Q1005-T1009 PolarHBondContact O-N 2.96Å; Q1005-T1009 PolarHBondContact O-OG1 2.67Å; T1009-F1011 VanDerWaalsContact C-N 3.32Å; T1009-F1011 PolarHBondContact O-N 3.37Å; T1009-L1012 PolarHBondContact O-N 2.86Å; T1009-C1013 WeakPolarHBondContact O-CB 3.24Å; T1009-C1013 PolarHBondContact O-N 2.81Å; T1009-C1013 PolarHBondContact O-SG 3.5Å; T1009-C1013 VanDerWaalsContact O-SG 3.34Å; T1009-I1039 HydrophobicContact CG2-CB 3.98Å; T1009-I1039 HydrophobicContact CG2-CD1 4.4Å; T1009-I1039 HydrophobicContact CG2-CG2 3.85Å
1010D95.2Very high91.7Very high90 Ų9056 Ų5648%0.48130%0.3SS..Hα-helixtrans-61.7-42.3178.1-177.443.7000111.3A1006 Y1007 L1012 C1013 Q1014A1006-D1010 WeakPolarHBondContact O-CB 3.41Å; A1006-D1010 PolarHBondContact O-N 2.81Å; Y1007-D1010 PolarHBondContact O-N 2.72Å; D1010-L1012 PolarHBondContact O-N 3.2Å; D1010-C1013 PolarHBondContact O-N 3.25Å; D1010-Q1014 WeakPolarHBondContact O-CB 3.29Å; D1010-Q1014 VanDerWaalsContact O-CG 3.29Å; D1010-Q1014 WeakPolarHBondContact O-CG 3.39Å; D1010-Q1014 PolarHBondContact O-N 3.23Å; D1010-Q1014 PolarHBondContact OD1-NE2 3.06Å; D1010-Q1014 PolarHBondContact OD2-NE2 3.46Å
1011F95.8Very high91.6Very high6 Ų656 Ų563%0.02630%0.3CS..Hα-helixtrans-58.2-50.2176.6179-86.6000112.5C864 L867 Q868 I921 Y1007 L1008 T1009 Q1014 F1015C864-F1011 HydrophobicContact CB-CD2 3.69Å; C864-F1011 HydrophobicContact CB-CE1 4.32Å; C864-F1011 HydrophobicContact CB-CE2 3.39Å; C864-F1011 HydrophobicContact CB-CG 4.25Å; C864-F1011 HydrophobicContact CB-CZ 3.77Å; C864-F1011 VanDerWaalsContact O-CE2 3.3Å; C864-F1011 WeakPolarHBondContact O-CE2 3.32Å; C864-F1011 WeakPolarHBondContact O-CZ 3.29Å; L867-F1011 HydrophobicContact CB-CZ 4.27Å; L867-F1011 HydrophobicContact CD2-CE1 3.94Å; L867-F1011 HydrophobicContact CD2-CZ 4.01Å; L867-F1011 HydrophobicContact CG-CZ 4.37Å; Q868-F1011 VanDerWaalsContact CD-CE2 3.47Å; Q868-F1011 HydrophobicContact CG-CD2 4.48Å; Q868-F1011 HydrophobicContact CG-CE2 3.52Å; Q868-F1011 HydrophobicContact CG-CZ 4.05Å; Q868-F1011 VanDerWaalsContact NE2-CD2 3.32Å; I921-F1011 HydrophobicContact CD1-CE1 3.86Å; I921-F1011 HydrophobicContact CD1-CZ 4.33Å; I921-F1011 HydrophobicContact CG2-CD1 4.37Å; Y1007-F1011 VanDerWaalsContact O-CB 3.24Å; Y1007-F1011 WeakPolarHBondContact O-CB 3.4Å; Y1007-F1011 PolarHBondContact O-N 3.26Å; L1008-F1011 PolarHBondContact O-N 2.98Å; T1009-F1011 VanDerWaalsContact C-N 3.32Å; T1009-F1011 PolarHBondContact O-N 3.37Å; F1011-Q1014 PolarHBondContact O-N 3.44Å; F1011-F1015 VanDerWaalsContact O-CB 3.3Å; F1011-F1015 WeakPolarHBondContact O-CB 3.43Å; F1011-F1015 PolarHBondContact O-N 3.36Å
1012L95.3Very high91.4Very high3 Ų355.7 Ų55.72%0.01630%0.301CS..Hα-helixtrans-67.2-39.2-179.4-74.6169.5000111.7L918 I921 I922 L925 L1008 T1009 D1010 Q1014 F1015 A1016 L1036 I1039 I1041L918-L1012 HydrophobicContact CD1-CD2 3.56Å; I921-L1012 HydrophobicContact CG2-CD1 4.15Å; I921-L1012 HydrophobicContact CG2-CD2 3.93Å; I921-L1012 HydrophobicContact CG2-CG 4.02Å; I922-L1012 HydrophobicContact CG1-CD1 4.21Å; I922-L1012 HydrophobicContact CG1-CD2 4.09Å; L925-L1012 HydrophobicContact CB-CD1 4.43Å; L925-L1012 HydrophobicContact CD2-CD1 3.65Å; L1008-L1012 WeakPolarHBondContact O-CB 3.46Å; L1008-L1012 WeakPolarHBondContact O-CG 3.18Å; L1008-L1012 PolarHBondContact O-N 3.24Å; T1009-L1012 PolarHBondContact O-N 2.86Å; D1010-L1012 PolarHBondContact O-N 3.2Å; L1012-Q1014 PolarHBondContact O-N 2.74Å; L1012-F1015 WeakPolarHBondContact O-CB 3.36Å; L1012-F1015 PolarHBondContact O-N 3.4Å; L1012-A1016 WeakPolarHBondContact O-CB 3.35Å; L1012-A1016 PolarHBondContact O-N 3.1Å; L1012-L1036 HydrophobicContact CB-CD2 4.45Å; L1012-L1036 HydrophobicContact CD1-CD2 4.05Å; L1012-L1036 HydrophobicContact CD2-CD2 4.38Å; L1012-I1039 HydrophobicContact CB-CD1 3.89Å; L1012-I1039 HydrophobicContact CD1-CD1 4.12Å; L1012-I1041 HydrophobicContact CB-CD1 3.96Å; L1012-I1041 WeakPolarHBondContact O-CD1 3.5Å
1013C94Very high91.1Very high36 Ų3660.4 Ų60.424%0.24332%0.324CS..Hα-helixtrans-61-44.1174.6-78.40000112T1009 D1010 Q1017T1009-C1013 WeakPolarHBondContact O-CB 3.24Å; T1009-C1013 PolarHBondContact O-N 2.81Å; T1009-C1013 PolarHBondContact O-SG 3.5Å; T1009-C1013 VanDerWaalsContact O-SG 3.34Å; D1010-C1013 PolarHBondContact O-N 3.25Å; C1013-Q1017 WeakPolarHBondContact O-CG 3.28Å; C1013-Q1017 PolarHBondContact O-N 3.03Å
1014Q92.2Very high90.9Very high91 Ų9156.4 Ų56.443%0.42530%0.302SS..Hα-helixtrans-67.3-38175.1-70.5176.324.800111.9D1010 F1011 L1012 Q1017D1010-Q1014 WeakPolarHBondContact O-CB 3.29Å; D1010-Q1014 VanDerWaalsContact O-CG 3.29Å; D1010-Q1014 WeakPolarHBondContact O-CG 3.39Å; D1010-Q1014 PolarHBondContact O-N 3.23Å; D1010-Q1014 PolarHBondContact OD1-NE2 3.06Å; D1010-Q1014 PolarHBondContact OD2-NE2 3.46Å; F1011-Q1014 PolarHBondContact O-N 3.44Å; L1012-Q1014 PolarHBondContact O-N 2.74Å; Q1014-Q1017 PolarHBondContact O-N 3.17Å
1015F92.1Very high90.7Very high5 Ų557.3 Ų57.32%0.02231%0.31CS..Hα-helixtrans-64.9-42.6177.9-171.4-97.5000112.4L867 I871 L918 F1011 L1012 Q1017 Q1018 Y1021 F1024L867-F1015 HydrophobicContact CD1-CE2 3.94Å; L867-F1015 HydrophobicContact CD1-CZ 4.09Å; L867-F1015 HydrophobicContact CD2-CD2 4.12Å; L867-F1015 HydrophobicContact CD2-CE2 3.66Å; L867-F1015 HydrophobicContact CD2-CZ 3.98Å; L867-F1015 HydrophobicContact CG-CD2 4.35Å; L867-F1015 HydrophobicContact CG-CE2 3.67Å; L867-F1015 HydrophobicContact CG-CZ 4.21Å; I871-F1015 HydrophobicContact CD1-CD2 4.35Å; I871-F1015 HydrophobicContact CD1-CE2 3.21Å; I871-F1015 HydrophobicContact CD1-CZ 3.62Å; L918-F1015 HydrophobicContact CD1-CD1 3.92Å; L918-F1015 HydrophobicContact CD1-CE1 3.88Å; L918-F1015 HydrophobicContact CD2-CE1 3.88Å; L918-F1015 HydrophobicContact CG-CE1 4.46Å; F1011-F1015 VanDerWaalsContact O-CB 3.3Å; F1011-F1015 WeakPolarHBondContact O-CB 3.43Å; F1011-F1015 PolarHBondContact O-N 3.36Å; L1012-F1015 WeakPolarHBondContact O-CB 3.36Å; L1012-F1015 PolarHBondContact O-N 3.4Å; F1015-Q1017 PolarHBondContact O-N 3.42Å; F1015-Q1018 WeakPolarHBondContact O-CB 3.42Å; F1015-Q1018 PolarHBondContact O-N 3.37Å; F1015-Y1021 AromaticContact CD1-CD2 3.66Å; F1015-Y1021 HydrophobicContact CD1-CD2 3.66Å; F1015-Y1021 HydrophobicContact CD1-CE2 4.24Å; F1015-Y1021 AromaticContact CE1-CD2 3.77Å; F1015-Y1021 HydrophobicContact CE1-CD2 3.77Å; F1015-Y1021 HydrophobicContact CE1-CE2 4.47Å; F1015-F1024 HydrophobicContact CE1-CB 4.41Å; F1015-F1024 HydrophobicContact CE1-CD1 4.39Å; F1015-F1024 HydrophobicContact CE1-CD2 4.41Å; F1015-F1024 HydrophobicContact CE1-CG 4.17Å; F1015-F1024 HydrophobicContact CZ-CD1 4.12Å; F1015-F1024 HydrophobicContact CZ-CD2 4.14Å; F1015-F1024 HydrophobicContact CZ-CE1 4.14Å; F1015-F1024 HydrophobicContact CZ-CE2 4.18Å; F1015-F1024 HydrophobicContact CZ-CG 4.13Å; F1015-F1024 HydrophobicContact CZ-CZ 4.18Å
1016A89.4Confident90.3Very high27 Ų2757.6 Ų57.622%0.22333%0.327CS..Hα-helixtrans-62.9-26.1178.800000113.2L1012 Q1018 Y1021 I1041L1012-A1016 WeakPolarHBondContact O-CB 3.35Å; L1012-A1016 PolarHBondContact O-N 3.1Å; A1016-Q1018 VanDerWaalsContact C-N 3.25Å; A1016-Q1018 PolarHBondContact O-N 2.83Å; A1016-Y1021 HydrophobicContact CB-CD1 4.36Å; A1016-Y1021 HydrophobicContact CB-CD2 4.34Å; A1016-Y1021 HydrophobicContact CB-CE1 4.31Å; A1016-Y1021 HydrophobicContact CB-CE2 4.28Å; A1016-Y1021 HydrophobicContact CB-CG 4.38Å; A1016-I1041 HydrophobicContact CB-CD1 3.95Å; A1016-I1041 HydrophobicContact CB-CG1 4.02Å; A1016-I1041 HydrophobicContact CB-CG2 3.73Å
1017Q88.8Confident90Very high163 Ų16358.6 Ų58.676%0.76232%0.323SS*.THydrogen-bonded Turntrans-74.8-12.4174.4-66.1173.519.900113.2C1013 Q1014 F1015C1013-Q1017 WeakPolarHBondContact O-CG 3.28Å; C1013-Q1017 PolarHBondContact O-N 3.03Å; Q1014-Q1017 PolarHBondContact O-N 3.17Å; F1015-Q1017 PolarHBondContact O-N 3.42Å
1018Q88.3Confident89.7Confident53 Ų5356 Ų5625%0.24831%0.313CS..SBendtrans-78.2140.6-180-60.9-163.7-8.100111.9F1015 A1016 C1020 Y1021F1015-Q1018 WeakPolarHBondContact O-CB 3.42Å; F1015-Q1018 PolarHBondContact O-N 3.37Å; A1016-Q1018 VanDerWaalsContact C-N 3.25Å; A1016-Q1018 PolarHBondContact O-N 2.83Å; Q1018-C1020 PolarHBondContact O-N 3.33Å; Q1018-C1020 VanDerWaalsContact O-N 3.08Å; Q1018-Y1021 VanDerWaalsContact O-CB 3.23Å; Q1018-Y1021 WeakPolarHBondContact O-CB 3.17Å; Q1018-Y1021 PolarHBondContact O-N 2.9Å
1019P84.1Confident89.3Confident123 Ų12358.4 Ų58.480%0.79933%0.326SS*.THydrogen-bonded Turntrans-58-28.1-179.1-25.733.8000114.8Y1021P1019-Y1021 VanDerWaalsContact C-N 3.26Å; P1019-Y1021 PolarHBondContact O-N 3.36Å
1020C85.3Confident88.9Confident40 Ų4062 Ų6227%0.2734%0.344SS..THydrogen-bonded Turntrans-71.5-18.7178.956.60000113.1Q1018 I1022 M1023 F1024Q1018-C1020 PolarHBondContact O-N 3.33Å; Q1018-C1020 VanDerWaalsContact O-N 3.08Å; C1020-I1022 PolarHBondContact O-N 3.49Å; C1020-I1022 VanDerWaalsContact O-N 3.1Å; C1020-M1023 WeakPolarHBondContact O-CB 3.32Å; C1020-M1023 PolarHBondContact O-N 2.9Å; C1020-F1024 HydrophobicContact CB-CE2 4.32Å; C1020-F1024 WeakPolarHBondContact O-CD2 3.31Å
1021Y87.5Confident88.5Confident36 Ų3662.8 Ų62.814%0.14135%0.348CS..Hα-helixtrans-53.5-35.7-175.9178.9-108.1000113.4F1015 A1016 Q1018 P1019 M1023 F1024 S1025 L1036 I1041F1015-Y1021 AromaticContact CD1-CD2 3.66Å; F1015-Y1021 HydrophobicContact CD1-CD2 3.66Å; F1015-Y1021 HydrophobicContact CD1-CE2 4.24Å; F1015-Y1021 AromaticContact CE1-CD2 3.77Å; F1015-Y1021 HydrophobicContact CE1-CD2 3.77Å; F1015-Y1021 HydrophobicContact CE1-CE2 4.47Å; A1016-Y1021 HydrophobicContact CB-CD1 4.36Å; A1016-Y1021 HydrophobicContact CB-CD2 4.34Å; A1016-Y1021 HydrophobicContact CB-CE1 4.31Å; A1016-Y1021 HydrophobicContact CB-CE2 4.28Å; A1016-Y1021 HydrophobicContact CB-CG 4.38Å; Q1018-Y1021 VanDerWaalsContact O-CB 3.23Å; Q1018-Y1021 WeakPolarHBondContact O-CB 3.17Å; Q1018-Y1021 PolarHBondContact O-N 2.9Å; P1019-Y1021 VanDerWaalsContact C-N 3.26Å; P1019-Y1021 PolarHBondContact O-N 3.36Å; Y1021-M1023 PolarHBondContact O-N 3.48Å; Y1021-M1023 VanDerWaalsContact O-N 3.16Å; Y1021-F1024 CarbonylContact O-C 3.59Å; Y1021-F1024 WeakPolarHBondContact O-CA 3.42Å; Y1021-F1024 WeakPolarHBondContact O-CB 3.42Å; Y1021-F1024 PolarHBondContact O-N 2.76Å; Y1021-S1025 PolarHBondContact O-N 3.09Å; Y1021-L1036 WeakPolarHBondContact OH-CD1 3.45Å; Y1021-I1041 HydrophobicContact CE1-CG2 4.34Å; Y1021-I1041 WeakPolarHBondContact OH-CG2 3.42Å
1022I84.9Confident88.3Confident135 Ų13563.6 Ų63.669%0.69235%0.352SS*.Hα-helixtrans-56.4-34.4177.8-58.6173.2000112C1020 F1024 S1025C1020-I1022 PolarHBondContact O-N 3.49Å; C1020-I1022 VanDerWaalsContact O-N 3.1Å; I1022-F1024 VanDerWaalsContact C-N 3.34Å; I1022-S1025 PolarHBondContact O-OG 2.79Å; I1022-S1025 VanDerWaalsContact O-OG 3.13Å
1023M84.4Confident88Confident138 Ų13868.8 Ų68.868%0.6837%0.371SS*.Hα-helixtrans-72.1-31.2176.8-176.3175.5167.400111.9C1020 Y1021 H1027C1020-M1023 WeakPolarHBondContact O-CB 3.32Å; C1020-M1023 PolarHBondContact O-N 2.9Å; Y1021-M1023 PolarHBondContact O-N 3.48Å; Y1021-M1023 VanDerWaalsContact O-N 3.16Å; M1023-H1027 PolarHBondContact O-CD2 3.23Å
1024F87.5Confident87.7Confident15 Ų1574.5 Ų74.57%0.06639%0.388CS..Hα-helixtrans-80.8-39.7178.5-71-103.5000111.9L867 I871 L914 V915 L918 F1015 C1020 Y1021 I1022 G1026 H1027L867-F1024 HydrophobicContact CD1-CE1 4.05Å; L867-F1024 HydrophobicContact CD1-CZ 4.38Å; I871-F1024 HydrophobicContact CD1-CE2 4.18Å; I871-F1024 HydrophobicContact CD1-CZ 3.87Å; I871-F1024 HydrophobicContact CG1-CZ 4.33Å; L914-F1024 HydrophobicContact CB-CE1 3.72Å; L914-F1024 HydrophobicContact CB-CZ 3.97Å; V915-F1024 HydrophobicContact CB-CD1 4.4Å; V915-F1024 HydrophobicContact CG2-CD1 3.76Å; V915-F1024 HydrophobicContact CG2-CE1 4.01Å; V915-F1024 HydrophobicContact CG2-CG 4.44Å; L918-F1024 HydrophobicContact CB-CD1 4.34Å; L918-F1024 HydrophobicContact CD2-CB 3.61Å; L918-F1024 HydrophobicContact CD2-CD1 3.89Å; L918-F1024 HydrophobicContact CD2-CG 4.12Å; F1015-F1024 HydrophobicContact CE1-CB 4.41Å; F1015-F1024 HydrophobicContact CE1-CD1 4.39Å; F1015-F1024 HydrophobicContact CE1-CD2 4.41Å; F1015-F1024 HydrophobicContact CE1-CG 4.17Å; F1015-F1024 HydrophobicContact CZ-CD1 4.12Å; F1015-F1024 HydrophobicContact CZ-CD2 4.14Å; F1015-F1024 HydrophobicContact CZ-CE1 4.14Å; F1015-F1024 HydrophobicContact CZ-CE2 4.18Å; F1015-F1024 HydrophobicContact CZ-CG 4.13Å; F1015-F1024 HydrophobicContact CZ-CZ 4.18Å; C1020-F1024 HydrophobicContact CB-CE2 4.32Å; C1020-F1024 WeakPolarHBondContact O-CD2 3.31Å; Y1021-F1024 CarbonylContact O-C 3.59Å; Y1021-F1024 WeakPolarHBondContact O-CA 3.42Å; Y1021-F1024 WeakPolarHBondContact O-CB 3.42Å; Y1021-F1024 PolarHBondContact O-N 2.76Å; I1022-F1024 VanDerWaalsContact C-N 3.34Å; F1024-G1026 PolarHBondContact O-N 3.29Å; F1024-H1027 WeakPolarHBondContact O-CB 3.49Å; F1024-H1027 PolarHBondContact O-N 3.5Å
1025S85.9Confident87.7Confident34 Ų3471.1 Ų71.124%0.23837%0.373CS..Hα-helixtrans-62-29.1-177.5670000113.1Y1021 I1022 H1027 L1028 R1033Y1021-S1025 PolarHBondContact O-N 3.09Å; I1022-S1025 PolarHBondContact O-OG 2.79Å; I1022-S1025 VanDerWaalsContact O-OG 3.13Å; S1025-H1027 PolarHBondContact O-N 3.41Å; S1025-H1027 VanDerWaalsContact O-N 3.17Å; S1025-L1028 PolarHBondContact O-N 3.26Å; S1025-R1033 PolarHBondContact O-NH2 3.29Å
1026G86.2Confident87.6Confident61 Ų6171 Ų7163%0.62937%0.373SS*.THydrogen-bonded Turntrans-63.5-14.9173.600000114.9F1024F1024-G1026 PolarHBondContact O-N 3.29Å
1027H86.9Confident87.7Confident75 Ų7576 Ų7635%0.34739%0.392SS..THydrogen-bonded Turntrans-99.4-4.9178-71.2-76.3000114.1V915 K919 M1023 F1024 S1025V915-H1027 HydrophobicContact CG1-CB 3.37Å; K919-H1027 WeakPolarHBondContact CE-O 3.47Å; M1023-H1027 PolarHBondContact O-CD2 3.23Å; F1024-H1027 WeakPolarHBondContact O-CB 3.49Å; F1024-H1027 PolarHBondContact O-N 3.5Å; S1025-H1027 PolarHBondContact O-N 3.41Å; S1025-H1027 VanDerWaalsContact O-N 3.17Å
1028L88.4Confident87.6Confident11 Ų1172.6 Ų72.66%0.05838%0.382CS..  trans-81.9136.2-176-58.5178.5000111.7L918 K919 I922 S1025 E1032 R1033 L1036L918-L1028 HydrophobicContact CD2-CD2 4.34Å; K919-L1028 HydrophobicContact CG-CD2 4.14Å; I922-L1028 HydrophobicContact CD1-CD1 4.31Å; I922-L1028 HydrophobicContact CD1-CD2 3.7Å; S1025-L1028 PolarHBondContact O-N 3.26Å; L1028-E1032 VanDerWaalsContact CA-OE2 3.3Å; L1028-E1032 WeakPolarHBondContact CA-OE2 3.46Å; L1028-E1032 HydrophobicContact CB-CB 4.36Å; L1028-E1032 HydrophobicContact CD2-CB 4.39Å; L1028-R1033 HydrophobicContact CB-CG 4.14Å; L1028-R1033 PolarHBondContact O-NE 3.48Å; L1028-R1033 VanDerWaalsContact O-NE 3.11Å; L1028-R1033 PolarHBondContact O-NH2 2.83Å; L1028-L1036 HydrophobicContact CD1-CD1 3.52Å
1029N87.5Confident87.7Confident49 Ų4971.6 Ų71.626%0.26238%0.378SS..  trans-81.8175.7173.667.538.2000111.2E886 K919 N1031 E1032 R1033E886-N1029 PolarHBondContact OE1-ND2 3.23Å; K919-N1029 PolarHBondContact NZ-ND2 3.31Å; N1029-N1031 PolarHBondContact O-N 3.49Å; N1029-N1031 PolarHBondContact OD1-N 3Å; N1029-E1032 PolarHBondContact N-OE2 3.09Å; N1029-E1032 PolarHBondContact ND2-OE1 3.41Å; N1029-E1032 PolarHBondContact O-N 3.18Å; N1029-E1032 WeakPolarHBondContact OD1-CB 3.46Å; N1029-E1032 VanDerWaalsContact OD1-CG 3.3Å; N1029-E1032 WeakPolarHBondContact OD1-CG 3.35Å; N1029-E1032 PolarHBondContact OD1-N 3.1Å; N1029-R1033 VanDerWaalsContact O-CG 3.27Å; N1029-R1033 WeakPolarHBondContact O-CG 3.15Å; N1029-R1033 PolarHBondContact O-N 2.79Å; N1029-R1033 VanDerWaalsContact O-N 3.11Å
1030D86.3Confident87.8Confident112 Ų11269 Ų6960%0.59937%0.374SS*.Hα-helixtrans-66.6-37.4-174.5-64.9-32.5000112.7R1033 R1034D1030-R1033 PolarHBondContact O-N 2.83Å; D1030-R1034 WeakPolarHBondContact O-CG 3.45Å; D1030-R1034 PolarHBondContact O-N 3.18Å
1031N86.8Confident87.8Confident106 Ų10670.8 Ų70.857%0.56738%0.38SS*.Hα-helixtrans-64.7-46.2177.9-70.6-0.1000111.4N1029 R1033 R1034 V1035N1029-N1031 PolarHBondContact O-N 3.49Å; N1029-N1031 PolarHBondContact OD1-N 3Å; N1031-R1033 VanDerWaalsContact C-N 3.27Å; N1031-R1033 PolarHBondContact O-N 3.07Å; N1031-R1034 WeakPolarHBondContact O-CB 3.38Å; N1031-R1034 PolarHBondContact O-N 2.95Å; N1031-R1034 VanDerWaalsContact O-N 3.1Å; N1031-V1035 WeakPolarHBondContact O-CG2 3.39Å; N1031-V1035 PolarHBondContact O-N 2.9Å
1032E91.4Very high87.8Confident22 Ų2272.5 Ų72.510%0.10339%0.392CS..Hα-helixtrans-62.9-35.1177.3-70.5162.7170.100112.2K919 I922 L1028 N1029 V1035 L1036K919-E1032 WeakPolarHBondContact CB-OE1 3.41Å; K919-E1032 WeakPolarHBondContact CE-OE2 3.47Å; K919-E1032 VanDerWaalsContact CG-OE1 3.28Å; K919-E1032 WeakPolarHBondContact CG-OE1 3.49Å; K919-E1032 IonicContact NZ-OE1 3.8Å; K919-E1032 PolarHBondContact NZ-OE1 3.43Å; K919-E1032 IonicContact NZ-OE2 3.14Å; K919-E1032 PolarHBondContact NZ-OE2 2.95Å; I922-E1032 HydrophobicContact CD1-CB 4.44Å; I922-E1032 HydrophobicContact CG2-CB 3.98Å; I922-E1032 HydrophobicContact CG2-CG 4.08Å; L1028-E1032 VanDerWaalsContact CA-OE2 3.3Å; L1028-E1032 WeakPolarHBondContact CA-OE2 3.46Å; L1028-E1032 HydrophobicContact CB-CB 4.36Å; L1028-E1032 HydrophobicContact CD2-CB 4.39Å; N1029-E1032 PolarHBondContact N-OE2 3.09Å; N1029-E1032 PolarHBondContact ND2-OE1 3.41Å; N1029-E1032 PolarHBondContact O-N 3.18Å; N1029-E1032 WeakPolarHBondContact OD1-CB 3.46Å; N1029-E1032 VanDerWaalsContact OD1-CG 3.3Å; N1029-E1032 WeakPolarHBondContact OD1-CG 3.35Å; N1029-E1032 PolarHBondContact OD1-N 3.1Å; E1032-V1035 PolarHBondContact O-N 3.11Å; E1032-L1036 WeakPolarHBondContact O-CG 3.5Å; E1032-L1036 PolarHBondContact O-N 3.41Å; E1032-L1036 VanDerWaalsContact O-N 3.07Å
1033R90.1Very high88Confident112 Ų11269.2 Ų69.242%0.42338%0.376SS..Hα-helixtrans-66.1-39.6173.8-71169.1-170.4-125.51111.6S1025 L1028 N1029 D1030 N1031 L1036 Q1037S1025-R1033 PolarHBondContact O-NH2 3.29Å; L1028-R1033 HydrophobicContact CB-CG 4.14Å; L1028-R1033 PolarHBondContact O-NE 3.48Å; L1028-R1033 VanDerWaalsContact O-NE 3.11Å; L1028-R1033 PolarHBondContact O-NH2 2.83Å; N1029-R1033 VanDerWaalsContact O-CG 3.27Å; N1029-R1033 WeakPolarHBondContact O-CG 3.15Å; N1029-R1033 PolarHBondContact O-N 2.79Å; N1029-R1033 VanDerWaalsContact O-N 3.11Å; D1030-R1033 PolarHBondContact O-N 2.83Å; N1031-R1033 VanDerWaalsContact C-N 3.27Å; N1031-R1033 PolarHBondContact O-N 3.07Å; R1033-L1036 PolarHBondContact O-N 2.91Å; R1033-Q1037 VanDerWaalsContact O-CG 3.3Å; R1033-Q1037 WeakPolarHBondContact O-CG 3.42Å; R1033-Q1037 PolarHBondContact O-N 3.28Å
1034R88.5Confident88.2Confident156 Ų15665.4 Ų65.459%0.58936%0.359SS*.Hα-helixtrans-62.8-45.5175.4-69178.5-153.4173.13.4111.4D1030 N1031 L1036 Q1037 T1038D1030-R1034 WeakPolarHBondContact O-CG 3.45Å; D1030-R1034 PolarHBondContact O-N 3.18Å; N1031-R1034 WeakPolarHBondContact O-CB 3.38Å; N1031-R1034 PolarHBondContact O-N 2.95Å; N1031-R1034 VanDerWaalsContact O-N 3.1Å; R1034-L1036 VanDerWaalsContact C-N 3.25Å; R1034-L1036 PolarHBondContact O-N 3.01Å; R1034-Q1037 WeakPolarHBondContact O-CB 3.46Å; R1034-Q1037 PolarHBondContact O-N 3.26Å; R1034-T1038 WeakPolarHBondContact O-CG2 3.47Å; R1034-T1038 PolarHBondContact O-N 3.04Å; R1034-T1038 VanDerWaalsContact O-N 3.12Å
1035V90.2Very high88.2Confident20 Ų2068.4 Ų68.412%0.12138%0.376CS..Hα-helixtrans-59.6-37.3175.9177.90000111.5I922 L925 S926 N1031 E1032 T1038I922-V1035 HydrophobicContact CG2-CB 3.87Å; I922-V1035 HydrophobicContact CG2-CG1 3.83Å; L925-V1035 HydrophobicContact CD2-CG1 4.24Å; L925-V1035 HydrophobicContact CG-CG1 4.35Å; S926-V1035 WeakPolarHBondContact OG-CG2 3.24Å; N1031-V1035 WeakPolarHBondContact O-CG2 3.39Å; N1031-V1035 PolarHBondContact O-N 2.9Å; E1032-V1035 PolarHBondContact O-N 3.11Å; V1035-T1038 PolarHBondContact O-OG1 2.78Å
1036L90.9Very high88.3Confident4 Ų470.5 Ų70.52%0.02139%0.385CS..Hα-helixtrans-70.9-34.4175-71.8177.7000112.9I922 L1012 Y1021 L1028 E1032 R1033 R1034 T1038 I1039 G1040 I1041I922-L1036 HydrophobicContact CD1-CD1 3.84Å; I922-L1036 HydrophobicContact CD1-CD2 4.17Å; I922-L1036 HydrophobicContact CD1-CG 4.09Å; I922-L1036 HydrophobicContact CG1-CD2 4.02Å; I922-L1036 HydrophobicContact CG1-CG 4.31Å; L1012-L1036 HydrophobicContact CB-CD2 4.45Å; L1012-L1036 HydrophobicContact CD1-CD2 4.05Å; L1012-L1036 HydrophobicContact CD2-CD2 4.38Å; Y1021-L1036 WeakPolarHBondContact OH-CD1 3.45Å; L1028-L1036 HydrophobicContact CD1-CD1 3.52Å; E1032-L1036 WeakPolarHBondContact O-CG 3.5Å; E1032-L1036 PolarHBondContact O-N 3.41Å; E1032-L1036 VanDerWaalsContact O-N 3.07Å; R1033-L1036 PolarHBondContact O-N 2.91Å; R1034-L1036 VanDerWaalsContact C-N 3.25Å; R1034-L1036 PolarHBondContact O-N 3.01Å; L1036-T1038 VanDerWaalsContact C-N 3.31Å; L1036-T1038 PolarHBondContact O-N 3.27Å; L1036-I1039 HydrophobicContact CD2-CD1 4.25Å; L1036-I1039 WeakPolarHBondContact O-CG1 3.34Å; L1036-I1039 PolarHBondContact O-N 2.66Å; L1036-G1040 PolarHBondContact O-N 3.37Å; L1036-I1041 HydrophobicContact CB-CB 4.09Å; L1036-I1041 HydrophobicContact CB-CG2 4.26Å; L1036-I1041 HydrophobicContact CD1-CG2 4.42Å; L1036-I1041 HydrophobicContact CD2-CD1 3.91Å; L1036-I1041 PolarHBondContact O-N 3.01Å
1037Q90.5Very high88.5Confident132 Ų13271.1 Ų71.162%0.61737%0.369SS*.Hα-helixtrans-63.7-35.4175.7-74.9169.3-800112.3R1033 R1034 I1039 G1040R1033-Q1037 VanDerWaalsContact O-CG 3.3Å; R1033-Q1037 WeakPolarHBondContact O-CG 3.42Å; R1033-Q1037 PolarHBondContact O-N 3.28Å; R1034-Q1037 WeakPolarHBondContact O-CB 3.46Å; R1034-Q1037 PolarHBondContact O-N 3.26Å; Q1037-I1039 PolarHBondContact O-N 3.13Å; Q1037-G1040 PolarHBondContact O-N 3.33Å
1038T88.3Confident88.6Confident91 Ų9170.9 Ų70.956%0.55837%0.37SS*.Hα-helixtrans-64.1-25.2178.563.90000112.7M929 R1034 V1035 L1036M929-T1038 WeakPolarHBondContact CE-OG1 3.42Å; R1034-T1038 WeakPolarHBondContact O-CG2 3.47Å; R1034-T1038 PolarHBondContact O-N 3.04Å; R1034-T1038 VanDerWaalsContact O-N 3.12Å; V1035-T1038 PolarHBondContact O-OG1 2.78Å; L1036-T1038 VanDerWaalsContact C-N 3.31Å; L1036-T1038 PolarHBondContact O-N 3.27Å
1039I89.1Confident88.6Confident31 Ų3175.5 Ų75.516%0.15939%0.394CS..THydrogen-bonded Turntrans-100.17173.463.6164.7000113.9L925 M929 T1009 L1012 L1036 Q1037 I1041L925-I1039 HydrophobicContact CD2-CD1 3.73Å; L925-I1039 HydrophobicContact CD2-CG1 4.42Å; L925-I1039 HydrophobicContact CD2-CG2 4.02Å; M929-I1039 HydrophobicContact SD-CG2 4.33Å; T1009-I1039 HydrophobicContact CG2-CB 3.98Å; T1009-I1039 HydrophobicContact CG2-CD1 4.4Å; T1009-I1039 HydrophobicContact CG2-CG2 3.85Å; L1012-I1039 HydrophobicContact CB-CD1 3.89Å; L1012-I1039 HydrophobicContact CD1-CD1 4.12Å; L1036-I1039 HydrophobicContact CD2-CD1 4.25Å; L1036-I1039 WeakPolarHBondContact O-CG1 3.34Å; L1036-I1039 PolarHBondContact O-N 2.66Å; Q1037-I1039 PolarHBondContact O-N 3.13Å; I1039-I1041 HydrophobicContact CD1-CD1 3.63Å; I1039-I1041 HydrophobicContact CD1-CG1 4.44Å; I1039-I1041 HydrophobicContact CG1-CD1 4.06Å; I1039-I1041 HydrophobicContact CG1-CG1 4.37Å
1040G86.7Confident88.7Confident69 Ų6977.7 Ų77.771%0.71141%0.405SS*.THydrogen-bonded Turntrans84.725.2172.200000116.3L1036 Q1037L1036-G1040 PolarHBondContact O-N 3.37Å; Q1037-G1040 PolarHBondContact O-N 3.33Å
1041I85.6Confident88.9Confident77 Ų7774.5 Ų74.540%0.39539%0.388SS..  trans-970176.9-67.2169.6000112.2L1012 A1016 Y1021 L1036 I1039L1012-I1041 HydrophobicContact CB-CD1 3.96Å; L1012-I1041 WeakPolarHBondContact O-CD1 3.5Å; A1016-I1041 HydrophobicContact CB-CD1 3.95Å; A1016-I1041 HydrophobicContact CB-CG1 4.02Å; A1016-I1041 HydrophobicContact CB-CG2 3.73Å; Y1021-I1041 HydrophobicContact CE1-CG2 4.34Å; Y1021-I1041 WeakPolarHBondContact OH-CG2 3.42Å; L1036-I1041 HydrophobicContact CB-CB 4.09Å; L1036-I1041 HydrophobicContact CB-CG2 4.26Å; L1036-I1041 HydrophobicContact CD1-CG2 4.42Å; L1036-I1041 HydrophobicContact CD2-CD1 3.91Å; L1036-I1041 PolarHBondContact O-N 3.01Å; I1039-I1041 HydrophobicContact CD1-CD1 3.63Å; I1039-I1041 HydrophobicContact CD1-CG1 4.44Å; I1039-I1041 HydrophobicContact CG1-CD1 4.06Å; I1039-I1041 HydrophobicContact CG1-CG1 4.37Å

Retrieved 1,041 of 1,041 residues in 965.8 ms (Link to these results)