A0A087XZ93_POEFO Loading...

WASH complex subunit 3

AlphaFold DB , UniProt , Accession A0A087XZ93, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 212 aa.

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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
1M52.7Low61.2Low171 Ų171113.7 Ų113.784%0.84266%0.662SS**  0133.20-76179.216500106L6M1-L6 VanDerWaalsContact CA-O 3.3Å; M1-L6 WeakPolarHBondContact CA-O 3.35Å
2D59.8Low61.5Low77 Ų77110.6 Ų110.641%0.41267%0.672SS.*  trans-78.1173.2168.553.6-19.9000110.6D4 G5 L6 I8D2-D4 PolarHBondContact O-N 3.1Å; D2-G5 PolarHBondContact O-N 3.32Å; D2-L6 WeakPolarHBondContact OD1-CA 3.38Å; D2-L6 WeakPolarHBondContact OD1-CB 3.39Å; D2-L6 PolarHBondContact OD1-N 3.01Å; D2-I8 HydrophobicContact CB-CD1 4.46Å; D2-I8 HydrophobicContact CB-CG1 4.43Å
3E57.3Low62.3Low199 Ų199106.2 Ų106.293%0.9365%0.646SS**THydrogen-bonded Turntrans-56.5-14.8-172.9-69.6-75.6113.200114.3
4D66.6Low63.1Low141 Ų141103.4 Ų103.475%0.75463%0.625SS**THydrogen-bonded Turntrans-1019.4175.3-69.1-42.4000113.8D2 L6D2-D4 PolarHBondContact O-N 3.1Å; D4-L6 VanDerWaalsContact C-N 3.3Å; D4-L6 PolarHBondContact O-N 3.32Å
5G59.7Low63.8Low44 Ų44106.3 Ų106.345%0.45464%0.635SS.*  trans72.517.2174.400000114.8D2D2-G5 PolarHBondContact O-N 3.32Å
6L65.6Low64.8Low108 Ų108107.3 Ų107.357%0.56564%0.642SS**  trans-85.1141.1177.9-73.6155.9000110.2M1 D2 D4 I8M1-L6 VanDerWaalsContact CA-O 3.3Å; M1-L6 WeakPolarHBondContact CA-O 3.35Å; D2-L6 WeakPolarHBondContact OD1-CA 3.38Å; D2-L6 WeakPolarHBondContact OD1-CB 3.39Å; D2-L6 PolarHBondContact OD1-N 3.01Å; D4-L6 VanDerWaalsContact C-N 3.3Å; D4-L6 PolarHBondContact O-N 3.32Å; L6-I8 PolarHBondContact O-N 3.49Å; L6-I8 VanDerWaalsContact O-N 3.07Å
7P62.5Low65.4Low83 Ų83110.5 Ų110.554%0.53965%0.646SS.*  trans-67.9112.717426.5-29.6000107.8V9P7-V9 WeakPolarHBondContact O-CG2 3.33Å; P7-V9 PolarHBondContact O-N 2.85Å
8I63.6Low65.8Low120 Ų120108.8 Ų108.862%0.61564%0.636SS**  trans-56.4105.1169.3-57.1-178.2000106.3D2 L6 G10D2-I8 HydrophobicContact CB-CD1 4.46Å; D2-I8 HydrophobicContact CB-CG1 4.43Å; L6-I8 PolarHBondContact O-N 3.49Å; L6-I8 VanDerWaalsContact O-N 3.07Å; I8-G10 PolarHBondContact O-N 3.25Å
9V62.4Low66.3Low124 Ų124108.9 Ų108.975%0.75264%0.641SS**  trans-72.478.3-176.8-178.60000108.5P7 V13P7-V9 WeakPolarHBondContact O-CG2 3.33Å; P7-V9 PolarHBondContact O-N 2.85Å; V9-V13 HydrophobicContact CB-CG2 4.45Å; V9-V13 HydrophobicContact CG1-CG2 4.12Å
10G61.4Low66.9Low41 Ų41108.2 Ų108.242%0.42365%0.648SS.*  trans-81.2163.716400000110.8I8 G12 V13I8-G10 PolarHBondContact O-N 3.25Å; G10-G12 PolarHBondContact O-N 3.42Å; G10-V13 WeakPolarHBondContact O-CG2 3.37Å; G10-V13 PolarHBondContact O-N 3.26Å
11S62.1Low67.6Low143 Ų143109 Ų109100%165%0.648SS**THydrogen-bonded Turntrans-61.310.3-176.751.10000116.5
12G64.2Low69.2Low76 Ų76106.3 Ų106.378%0.78463%0.633SS**THydrogen-bonded Turntrans-116.819.1177.600000115G10 D14G10-G12 PolarHBondContact O-N 3.42Å; G12-D14 PolarHBondContact O-N 2.71Å
13V72.2Confident70.5Confident54 Ų54109.7 Ų109.733%0.32765%0.646SS.*  trans-72115.9176.9-179.70000110.6V9 G10 L15 V18V9-V13 HydrophobicContact CB-CG2 4.45Å; V9-V13 HydrophobicContact CG1-CG2 4.12Å; G10-V13 WeakPolarHBondContact O-CG2 3.37Å; G10-V13 PolarHBondContact O-N 3.26Å; V13-L15 PolarHBondContact O-N 2.95Å; V13-L15 VanDerWaalsContact O-N 3.1Å; V13-V18 HydrophobicContact CG1-CG2 3.48Å; V13-V18 VanDerWaalsContact CG1-CG2 3.48Å
14D73.1Confident72.1Confident67 Ų67111.2 Ų111.236%0.35864%0.643SS.*  trans-69.599.6169-178.2-0.2000109.8G12 T16 K17G12-D14 PolarHBondContact O-N 2.71Å; D14-T16 VanDerWaalsContact CG-OG1 3.29Å; D14-T16 PolarHBondContact O-N 3.46Å; D14-T16 WeakPolarHBondContact OD1-CB 3.43Å; D14-T16 PolarHBondContact OD1-N 3.45Å; D14-T16 PolarHBondContact OD1-OG1 2.94Å; D14-T16 PolarHBondContact OD2-OG1 3.3Å; D14-K17 HydrophobicContact CB-CD 4.23Å; D14-K17 HydrophobicContact CB-CG 4.48Å; D14-K17 PolarHBondContact O-N 2.86Å; D14-K17 WeakPolarHBondContact OD2-CD 3.45Å; D14-K17 WeakPolarHBondContact OD2-CE 3.47Å; D14-K17 IonicContact OD2-NZ 3.3Å; D14-K17 PolarHBondContact OD2-NZ 3.47Å; D14-K17 VanDerWaalsContact OD2-NZ 3.11Å
15L74.3Confident73.3Confident146 Ų146112.1 Ų112.176%0.76464%0.636SS**THydrogen-bonded Turntrans-60.2-15.5-177.1-63.7172000113.4V13 K17V13-L15 PolarHBondContact O-N 2.95Å; V13-L15 VanDerWaalsContact O-N 3.1Å; L15-K17 VanDerWaalsContact C-N 3.32Å
16T79.3Confident75Confident123 Ų123113.5 Ų113.576%0.75564%0.636SS**THydrogen-bonded Turntrans-77.7-17.8175.970.40000113.3D14D14-T16 VanDerWaalsContact CG-OG1 3.29Å; D14-T16 PolarHBondContact O-N 3.46Å; D14-T16 WeakPolarHBondContact OD1-CB 3.43Å; D14-T16 PolarHBondContact OD1-N 3.45Å; D14-T16 PolarHBondContact OD1-OG1 2.94Å; D14-T16 PolarHBondContact OD2-OG1 3.3Å
17K74.9Confident76.4Confident162 Ų162112 Ų11270%0.70463%0.631SS**SBendtrans-99.7-6.2178.6-65.2176.6-177153.20113.2D14 L15D14-K17 HydrophobicContact CB-CD 4.23Å; D14-K17 HydrophobicContact CB-CG 4.48Å; D14-K17 PolarHBondContact O-N 2.86Å; D14-K17 WeakPolarHBondContact OD2-CD 3.45Å; D14-K17 WeakPolarHBondContact OD2-CE 3.47Å; D14-K17 IonicContact OD2-NZ 3.3Å; D14-K17 PolarHBondContact OD2-NZ 3.47Å; D14-K17 VanDerWaalsContact OD2-NZ 3.11Å; L15-K17 VanDerWaalsContact C-N 3.32Å
18V73.3Confident78Confident79 Ų79110.6 Ų110.648%0.47963%0.627SS.*SBendtrans-81122.8179.2-177.60000108.8V13V13-V18 HydrophobicContact CG1-CG2 3.48Å; V13-V18 VanDerWaalsContact CG1-CG2 3.48Å
19P73.9Confident79.5Confident111 Ų111111.4 Ų111.472%0.72163%0.627SS**PPolyproline II helixtrans-63.2145.617824.5-31.9000110.9I21P19-I21 PolarHBondContact O-N 3.28Å
20A79.3Confident81.2Confident94 Ų94110.3 Ų110.378%0.77762%0.617SS**PPolyproline II helixtrans-55.3134.4178.200000110.9Q22A20-Q22 PolarHBondContact O-N 2.9Å
21I81Confident82.9Confident127 Ų127112.7 Ų112.765%0.65162%0.62SS**PPolyproline II helixtrans-57.1132.5177.8-165.3167.3000109.6P19 Q23 V26P19-I21 PolarHBondContact O-N 3.28Å; I21-Q23 VanDerWaalsContact C-N 3.26Å; I21-Q23 HydrophobicContact CG2-CG 4.24Å; I21-Q23 PolarHBondContact O-N 2.8Å; I21-V26 HydrophobicContact CD1-CG2 3.83Å; I21-V26 HydrophobicContact CG1-CG2 3.84Å
22Q86.4Confident84.6Confident113 Ų113111.3 Ų111.353%0.52860%0.598SS.*  trans-75.582.1-178-67.4176.6-12.400109.4A20 R24 R25 V26A20-Q22 PolarHBondContact O-N 2.9Å; Q22-R24 PolarHBondContact O-N 2.84Å; Q22-R24 VanDerWaalsContact O-N 3.14Å; Q22-R25 HydrophobicContact CB-CB 4.07Å; Q22-R25 WeakPolarHBondContact O-CA 3.4Å; Q22-R25 WeakPolarHBondContact O-CB 3.28Å; Q22-R25 PolarHBondContact O-N 3.02Å; Q22-V26 PolarHBondContact O-N 3.31Å
23Q88.3Confident86.2Confident148 Ų148113.9 Ų113.969%0.69259%0.588SS**Hα-helixtrans-50.6-42.2-174.6-68.1177.2-8.600112.6I21 R25 V26 V27I21-Q23 VanDerWaalsContact C-N 3.26Å; I21-Q23 HydrophobicContact CG2-CG 4.24Å; I21-Q23 PolarHBondContact O-N 2.8Å; Q23-R25 VanDerWaalsContact C-N 3.31Å; Q23-R25 PolarHBondContact O-N 3.4Å; Q23-V26 PolarHBondContact O-N 2.83Å; Q23-V27 VanDerWaalsContact O-CG2 3.29Å; Q23-V27 WeakPolarHBondContact O-CG2 3.44Å; Q23-V27 PolarHBondContact O-N 3.47Å
24R90.5Very high87.5Confident231 Ų231114.8 Ų114.887%0.87259%0.593SS**Hα-helixtrans-60.1-38.3177.1-67.1-172.1178.9-164.60113.1Q22 A28Q22-R24 PolarHBondContact O-N 2.84Å; Q22-R24 VanDerWaalsContact O-N 3.14Å; R24-A28 WeakPolarHBondContact O-CB 3.46Å; R24-A28 PolarHBondContact O-N 3.44Å
25R91.4Very high88.7Confident160 Ų160114.3 Ų114.360%0.60459%0.592SS**Hα-helixtrans-72.1-42.9176.3-85.4169145.9-162.4-4.4111Q22 Q23 V27 A28 H29Q22-R25 HydrophobicContact CB-CB 4.07Å; Q22-R25 WeakPolarHBondContact O-CA 3.4Å; Q22-R25 WeakPolarHBondContact O-CB 3.28Å; Q22-R25 PolarHBondContact O-N 3.02Å; Q23-R25 VanDerWaalsContact C-N 3.31Å; Q23-R25 PolarHBondContact O-N 3.4Å; R25-V27 VanDerWaalsContact C-N 3.32Å; R25-V27 PolarHBondContact O-N 2.95Å; R25-A28 WeakPolarHBondContact O-CB 3.36Å; R25-A28 PolarHBondContact O-N 2.9Å; R25-A28 VanDerWaalsContact O-N 3.16Å; R25-H29 PolarHBondContact O-N 2.94Å; R25-H29 PolarHBondContact O-ND1 3.32Å
26V94.8Very high89.8Confident73 Ų73112.9 Ų112.944%0.44258%0.582SS.*Hα-helixtrans-59.3-45.61761780000110.9I21 Q22 Q23 A28 H29 L30I21-V26 HydrophobicContact CD1-CG2 3.83Å; I21-V26 HydrophobicContact CG1-CG2 3.84Å; Q22-V26 PolarHBondContact O-N 3.31Å; Q23-V26 PolarHBondContact O-N 2.83Å; V26-A28 VanDerWaalsContact C-N 3.32Å; V26-A28 PolarHBondContact O-N 3.33Å; V26-H29 PolarHBondContact O-N 3.32Å; V26-L30 WeakPolarHBondContact O-CB 3.42Å; V26-L30 PolarHBondContact O-N 2.83Å
27V94.8Very high90.8Very high77 Ų77109.2 Ų109.247%0.46756%0.559SS.*Hα-helixtrans-60.6-41.4175.6172.70000111.4Q23 R25 L30 N31Q23-V27 VanDerWaalsContact O-CG2 3.29Å; Q23-V27 WeakPolarHBondContact O-CG2 3.44Å; Q23-V27 PolarHBondContact O-N 3.47Å; R25-V27 VanDerWaalsContact C-N 3.32Å; R25-V27 PolarHBondContact O-N 2.95Å; V27-L30 PolarHBondContact O-N 2.82Å; V27-N31 VanDerWaalsContact O-CB 3.31Å; V27-N31 WeakPolarHBondContact O-CB 3.42Å; V27-N31 PolarHBondContact O-N 3.34Å
28A96Very high91.9Very high54 Ų54104.8 Ų104.845%0.44655%0.545SS..Hα-helixtrans-62.9-43176.100000112.6R24 R25 V26 N31 Q32R24-A28 WeakPolarHBondContact O-CB 3.46Å; R24-A28 PolarHBondContact O-N 3.44Å; R25-A28 WeakPolarHBondContact O-CB 3.36Å; R25-A28 PolarHBondContact O-N 2.9Å; R25-A28 VanDerWaalsContact O-N 3.16Å; V26-A28 VanDerWaalsContact C-N 3.32Å; V26-A28 PolarHBondContact O-N 3.33Å; A28-N31 PolarHBondContact O-N 3.38Å; A28-Q32 VanDerWaalsContact O-CB 3.32Å; A28-Q32 WeakPolarHBondContact O-CB 3.38Å; A28-Q32 PolarHBondContact O-N 3Å
29H97.1Very high93.1Very high136 Ų136108.1 Ų108.163%0.6355%0.549SS*.Hα-helixtrans-67.3-39.9176.6-70.384.3000111.8R25 V26 Q32 F33R25-H29 PolarHBondContact O-N 2.94Å; R25-H29 PolarHBondContact O-ND1 3.32Å; V26-H29 PolarHBondContact O-N 3.32Å; H29-Q32 PolarHBondContact O-N 3.48Å; H29-F33 VanDerWaalsContact O-CB 3.3Å; H29-F33 WeakPolarHBondContact O-CB 3.26Å; H29-F33 PolarHBondContact O-N 3.46Å
30L97.4Very high94.3Very high101 Ų101108.7 Ų108.753%0.52954%0.541SS..Hα-helixtrans-63.7-46.5175.9-176.965.6000110.9V26 V27 Q32 F33 V34V26-L30 WeakPolarHBondContact O-CB 3.42Å; V26-L30 PolarHBondContact O-N 2.83Å; V27-L30 PolarHBondContact O-N 2.82Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-Q32 PolarHBondContact O-N 2.78Å; L30-F33 WeakPolarHBondContact O-CB 3.3Å; L30-F33 PolarHBondContact O-N 2.92Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.01Å
31N96.9Very high95.2Very high92 Ų92108.7 Ų108.749%0.49253%0.527SS..Hα-helixtrans-60.9-44.3176.2-73.4-5.6000110.8V27 A28 F33 V34 V35V27-N31 VanDerWaalsContact O-CB 3.31Å; V27-N31 WeakPolarHBondContact O-CB 3.42Å; V27-N31 PolarHBondContact O-N 3.34Å; A28-N31 PolarHBondContact O-N 3.38Å; N31-F33 VanDerWaalsContact C-N 3.32Å; N31-F33 PolarHBondContact O-N 2.95Å; N31-V34 PolarHBondContact O-N 2.91Å; N31-V35 WeakPolarHBondContact O-CB 3.39Å; N31-V35 WeakPolarHBondContact O-CG2 3.42Å; N31-V35 PolarHBondContact O-N 3.04Å
32Q97.8Very high96Very high113 Ų113107.4 Ų107.453%0.52852%0.522SS..Hα-helixtrans-61.4-41.5175.6-178.762.614.900111.8A28 H29 L30 V35 H36A28-Q32 VanDerWaalsContact O-CB 3.32Å; A28-Q32 WeakPolarHBondContact O-CB 3.38Å; A28-Q32 PolarHBondContact O-N 3Å; H29-Q32 PolarHBondContact O-N 3.48Å; L30-Q32 VanDerWaalsContact C-N 3.33Å; L30-Q32 PolarHBondContact O-N 2.78Å; Q32-V35 PolarHBondContact O-N 3.49Å; Q32-H36 WeakPolarHBondContact O-CB 3.48Å; Q32-H36 PolarHBondContact O-N 2.74Å
33F98.3Very high96.6Very high131 Ų131110.3 Ų110.358%0.57553%0.528SS*.Hα-helixtrans-63.3-47.2177.2173.3-98.6000111.7H29 L30 N31 H36 T37H29-F33 VanDerWaalsContact O-CB 3.3Å; H29-F33 WeakPolarHBondContact O-CB 3.26Å; H29-F33 PolarHBondContact O-N 3.46Å; L30-F33 WeakPolarHBondContact O-CB 3.3Å; L30-F33 PolarHBondContact O-N 2.92Å; N31-F33 VanDerWaalsContact C-N 3.32Å; N31-F33 PolarHBondContact O-N 2.95Å; F33-H36 PolarHBondContact O-N 3.31Å; F33-T37 VanDerWaalsContact O-CB 3.31Å; F33-T37 WeakPolarHBondContact O-CB 3.49Å; F33-T37 PolarHBondContact O-N 3.1Å; F33-T37 PolarHBondContact O-OG1 3.49Å
34V98.4Very high97.1Very high72 Ų72108.6 Ų108.644%0.43652%0.518SS..Hα-helixtrans-60.8-48.7177.5171.40000109.9L30 N31 H36 T37 V38L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.01Å; N31-V34 PolarHBondContact O-N 2.91Å; V34-H36 PolarHBondContact O-N 3.1Å; V34-T37 PolarHBondContact O-N 3.24Å; V34-V38 HydrophobicContact CG1-CG2 4.39Å; V34-V38 VanDerWaalsContact O-CG2 3.31Å; V34-V38 WeakPolarHBondContact O-CG2 3.36Å; V34-V38 PolarHBondContact O-N 3.29Å
35V98.4Very high97.5Very high58 Ų58100.1 Ų100.135%0.35249%0.494SS..Hα-helixtrans-63.2-42.7180174.70000111N31 Q32 V38 R39N31-V35 WeakPolarHBondContact O-CB 3.39Å; N31-V35 WeakPolarHBondContact O-CG2 3.42Å; N31-V35 PolarHBondContact O-N 3.04Å; Q32-V35 PolarHBondContact O-N 3.49Å; V35-V38 PolarHBondContact O-N 2.97Å; V35-R39 VanDerWaalsContact CG1-NH1 3.3Å; V35-R39 WeakPolarHBondContact O-CB 3.28Å; V35-R39 WeakPolarHBondContact O-CG 3.38Å; V35-R39 PolarHBondContact O-N 3.33Å
36H98.4Very high97.8Very high116 Ų11696 Ų9654%0.53749%0.487SS..Hα-helixtrans-62.9-43.5176.2-176.6-92.3000111.7Q32 F33 V34 R39 F40Q32-H36 WeakPolarHBondContact O-CB 3.48Å; Q32-H36 PolarHBondContact O-N 2.74Å; F33-H36 PolarHBondContact O-N 3.31Å; V34-H36 PolarHBondContact O-N 3.1Å; H36-R39 PolarHBondContact O-N 3.32Å; H36-F40 WeakPolarHBondContact O-CB 3.32Å; H36-F40 PolarHBondContact O-N 3.5Å
37T98.6Very high98Very high45 Ų4594.8 Ų94.828%0.27648%0.479SS..Hα-helixtrans-64.1-45.1178.4-57.20000111.2F33 V34 R39 F40 L41F33-T37 VanDerWaalsContact O-CB 3.31Å; F33-T37 WeakPolarHBondContact O-CB 3.49Å; F33-T37 PolarHBondContact O-N 3.1Å; F33-T37 PolarHBondContact O-OG1 3.49Å; V34-T37 PolarHBondContact O-N 3.24Å; T37-R39 PolarHBondContact O-N 2.99Å; T37-F40 WeakPolarHBondContact O-CB 3.44Å; T37-F40 PolarHBondContact O-N 3.47Å; T37-L41 HydrophobicContact CG2-CD1 4.23Å; T37-L41 HydrophobicContact CG2-CG 4.46Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 3.19Å
38V98.7Very high98.2Very high69 Ų6993.6 Ų93.642%0.41847%0.474SS..Hα-helixtrans-63.9-42.7177.1172.60000111V34 V35 F40 L41 N42V34-V38 HydrophobicContact CG1-CG2 4.39Å; V34-V38 VanDerWaalsContact O-CG2 3.31Å; V34-V38 WeakPolarHBondContact O-CG2 3.36Å; V34-V38 PolarHBondContact O-N 3.29Å; V35-V38 PolarHBondContact O-N 2.97Å; V38-F40 VanDerWaalsContact C-N 3.32Å; V38-F40 PolarHBondContact O-N 3.38Å; V38-L41 PolarHBondContact O-N 2.87Å; V38-N42 WeakPolarHBondContact O-CB 3.4Å; V38-N42 PolarHBondContact O-N 2.85Å; V38-N42 PolarHBondContact O-ND2 3.35Å
39R98.5Very high98.3Very high150 Ų15096.8 Ų96.857%0.56648%0.48SS*.Hα-helixtrans-61.1-43174.6-75.5-169.9-160.21120.9111.9V35 H36 T37 R43V35-R39 VanDerWaalsContact CG1-NH1 3.3Å; V35-R39 WeakPolarHBondContact O-CB 3.28Å; V35-R39 WeakPolarHBondContact O-CG 3.38Å; V35-R39 PolarHBondContact O-N 3.33Å; H36-R39 PolarHBondContact O-N 3.32Å; T37-R39 PolarHBondContact O-N 2.99Å; R39-R43 WeakPolarHBondContact O-CB 3.45Å; R39-R43 PolarHBondContact O-N 2.89Å
40F98.6Very high98.4Very high123 Ų12396.9 Ų96.954%0.53948%0.481SS..Hα-helixtrans-60.8-49175.9169.9-97000111.2H36 T37 V38 N42 R43 F44H36-F40 WeakPolarHBondContact O-CB 3.32Å; H36-F40 PolarHBondContact O-N 3.5Å; T37-F40 WeakPolarHBondContact O-CB 3.44Å; T37-F40 PolarHBondContact O-N 3.47Å; V38-F40 VanDerWaalsContact C-N 3.32Å; V38-F40 PolarHBondContact O-N 3.38Å; F40-N42 PolarHBondContact O-N 3.39Å; F40-R43 PolarHBondContact O-N 2.87Å; F40-F44 VanDerWaalsContact O-CB 3.27Å; F40-F44 WeakPolarHBondContact O-CB 3.48Å; F40-F44 PolarHBondContact O-N 3.08Å
41L98.7Very high98.4Very high93 Ų9398.7 Ų98.749%0.48748%0.484SS..Hα-helixtrans-61.5-43.1179.4-73.2176.3000112.1T37 V38 R43 F44 S45T37-L41 HydrophobicContact CG2-CD1 4.23Å; T37-L41 HydrophobicContact CG2-CG 4.46Å; T37-L41 WeakPolarHBondContact O-CG 3.38Å; T37-L41 PolarHBondContact O-N 3.19Å; V38-L41 PolarHBondContact O-N 2.87Å; L41-R43 PolarHBondContact O-N 2.84Å; L41-F44 PolarHBondContact O-N 3.35Å; L41-S45 PolarHBondContact O-N 2.99Å
42N98.4Very high98.5Very high101 Ų101100.3 Ų100.354%0.5449%0.492SS..Hα-helixtrans-62.3-46176.9-70.5-10.8000110.8V38 F40 F44 S45 T46V38-N42 WeakPolarHBondContact O-CB 3.4Å; V38-N42 PolarHBondContact O-N 2.85Å; V38-N42 PolarHBondContact O-ND2 3.35Å; F40-N42 PolarHBondContact O-N 3.39Å; N42-F44 VanDerWaalsContact C-N 3.32Å; N42-F44 PolarHBondContact O-N 2.98Å; N42-S45 WeakPolarHBondContact O-CB 3.35Å; N42-S45 PolarHBondContact O-N 3.35Å; N42-T46 PolarHBondContact O-N 3.47Å; N42-T46 VanDerWaalsContact O-N 3.09Å; N42-T46 PolarHBondContact O-OG1 3.42Å; N42-T46 VanDerWaalsContact O-OG1 3.08Å
43R98.6Very high98.6Very high174 Ų17498.7 Ų98.766%0.65749%0.493SS*.Hα-helixtrans-63.1-40.8176.3-179.158.8176.5-165.23.1111.8R39 F40 L41 T46 V47R39-R43 WeakPolarHBondContact O-CB 3.45Å; R39-R43 PolarHBondContact O-N 2.89Å; F40-R43 PolarHBondContact O-N 2.87Å; L41-R43 PolarHBondContact O-N 2.84Å; R43-T46 PolarHBondContact O-N 3.08Å; R43-V47 WeakPolarHBondContact O-CG2 3.47Å; R43-V47 PolarHBondContact O-N 3.32Å
44F98.7Very high98.6Very high112 Ų11296.8 Ų96.849%0.49149%0.489SS..Hα-helixtrans-62.1-44.4176.9177.7-100.4000111.1F40 L41 N42 T46 V47 C48F40-F44 VanDerWaalsContact O-CB 3.27Å; F40-F44 WeakPolarHBondContact O-CB 3.48Å; F40-F44 PolarHBondContact O-N 3.08Å; L41-F44 PolarHBondContact O-N 3.35Å; N42-F44 VanDerWaalsContact C-N 3.32Å; N42-F44 PolarHBondContact O-N 2.98Å; F44-T46 PolarHBondContact O-N 3.09Å; F44-V47 PolarHBondContact O-N 3.19Å; F44-C48 VanDerWaalsContact CE1-SG 3.56Å; F44-C48 WeakPolarHBondContact CZ-SG 3.5Å; F44-C48 PolarHBondContact O-N 3.03Å; F44-C48 PolarHBondContact O-SG 3.49Å; F44-C48 VanDerWaalsContact O-SG 3.41Å
45S98.7Very high98.6Very high53 Ų5398 Ų9837%0.37149%0.492SS..Hα-helixtrans-56.3-49.3174.7-162.80000111.2L41 N42 V47 C48 E49L41-S45 PolarHBondContact O-N 2.99Å; N42-S45 WeakPolarHBondContact O-CB 3.35Å; N42-S45 PolarHBondContact O-N 3.35Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.44Å; S45-C48 WeakPolarHBondContact O-CB 3.37Å; S45-C48 PolarHBondContact O-N 3.46Å; S45-C48 VanDerWaalsContact O-N 3.11Å; S45-E49 WeakPolarHBondContact O-CB 3.41Å; S45-E49 WeakPolarHBondContact O-CG 3.31Å; S45-E49 PolarHBondContact O-N 3.38Å; S45-E49 PolarHBondContact OG-OE1 3.31Å
46T98.6Very high98.6Very high73 Ų7398.4 Ų98.445%0.44850%0.498SS..Hα-helixtrans-58.8-41.9178.4-50.40000112.1N42 R43 F44 E49 E50N42-T46 PolarHBondContact O-N 3.47Å; N42-T46 VanDerWaalsContact O-N 3.09Å; N42-T46 PolarHBondContact O-OG1 3.42Å; N42-T46 VanDerWaalsContact O-OG1 3.08Å; R43-T46 PolarHBondContact O-N 3.08Å; F44-T46 PolarHBondContact O-N 3.09Å; T46-E49 PolarHBondContact O-N 3.07Å; T46-E50 WeakPolarHBondContact O-CB 3.48Å; T46-E50 PolarHBondContact O-N 2.9Å
47V98.8Very high98.6Very high47 Ų4798.1 Ų98.129%0.28550%0.499SS..Hα-helixtrans-66.9-38.8177.5172.70000111.5R43 F44 S45 K51R43-V47 WeakPolarHBondContact O-CG2 3.47Å; R43-V47 PolarHBondContact O-N 3.32Å; F44-V47 PolarHBondContact O-N 3.19Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.44Å; V47-K51 HydrophobicContact CG1-CD 4.29Å; V47-K51 WeakPolarHBondContact O-CB 3.32Å; V47-K51 WeakPolarHBondContact O-CG 3.47Å; V47-K51 PolarHBondContact O-N 2.83Å; V47-K51 VanDerWaalsContact O-N 3.08Å
48C98.6Very high98.6Very high53 Ų53103.4 Ų103.436%0.35851%0.514SS..Hα-helixtrans-64.7-45.3175.4-74.50000111.7F44 S45 K51 L52F44-C48 VanDerWaalsContact CE1-SG 3.56Å; F44-C48 WeakPolarHBondContact CZ-SG 3.5Å; F44-C48 PolarHBondContact O-N 3.03Å; F44-C48 PolarHBondContact O-SG 3.49Å; F44-C48 VanDerWaalsContact O-SG 3.41Å; S45-C48 WeakPolarHBondContact O-CB 3.37Å; S45-C48 PolarHBondContact O-N 3.46Å; S45-C48 VanDerWaalsContact O-N 3.11Å; C48-K51 PolarHBondContact O-N 3.11Å; C48-L52 VanDerWaalsContact O-CB 3.28Å; C48-L52 WeakPolarHBondContact O-CB 3.35Å; C48-L52 PolarHBondContact O-N 2.9Å
49E98.4Very high98.6Very high121 Ų121105 Ų10557%0.56552%0.519SS*.Hα-helixtrans-60.3-45.2177.4-74.4166.5-144.800111.6S45 T46 K51 L52 S53S45-E49 WeakPolarHBondContact O-CB 3.41Å; S45-E49 WeakPolarHBondContact O-CG 3.31Å; S45-E49 PolarHBondContact O-N 3.38Å; S45-E49 PolarHBondContact OG-OE1 3.31Å; T46-E49 PolarHBondContact O-N 3.07Å; E49-K51 PolarHBondContact O-N 3.41Å; E49-L52 PolarHBondContact O-N 3.44Å; E49-S53 VanDerWaalsContact O-CB 3.26Å; E49-S53 WeakPolarHBondContact O-CB 3.27Å; E49-S53 PolarHBondContact O-N 3.45Å
50E98.7Very high98.6Very high138 Ų138103.3 Ų103.365%0.64552%0.518SS*.Hα-helixtrans-61.1-46.5176.8-175.5-179.1-174.300111.7T46 S53 N54T46-E50 WeakPolarHBondContact O-CB 3.48Å; T46-E50 PolarHBondContact O-N 2.9Å; E50-S53 PolarHBondContact O-N 3.28Å; E50-N54 PolarHBondContact O-N 3.25Å
51K98.6Very high98.6Very high138 Ų138103.5 Ų103.560%0.652%0.521SS*.Hα-helixtrans-65-41.9178.4-74.2-177176.4-1690112.3V47 C48 E49 N54 I55V47-K51 HydrophobicContact CG1-CD 4.29Å; V47-K51 WeakPolarHBondContact O-CB 3.32Å; V47-K51 WeakPolarHBondContact O-CG 3.47Å; V47-K51 PolarHBondContact O-N 2.83Å; V47-K51 VanDerWaalsContact O-N 3.08Å; C48-K51 PolarHBondContact O-N 3.11Å; E49-K51 PolarHBondContact O-N 3.41Å; K51-N54 PolarHBondContact O-N 3.5Å; K51-I55 WeakPolarHBondContact O-CG1 3.35Å; K51-I55 PolarHBondContact O-N 2.86Å
52L98.7Very high98.6Very high127 Ų127104.6 Ų104.667%0.66553%0.525SS*.Hα-helixtrans-67-40.9179-165.5149.8000110.7C48 E49 N54 I55 S56C48-L52 VanDerWaalsContact O-CB 3.28Å; C48-L52 WeakPolarHBondContact O-CB 3.35Å; C48-L52 PolarHBondContact O-N 2.9Å; E49-L52 PolarHBondContact O-N 3.44Å; L52-N54 VanDerWaalsContact C-N 3.35Å; L52-N54 PolarHBondContact O-N 3.32Å; L52-I55 PolarHBondContact O-N 2.97Å; L52-S56 WeakPolarHBondContact O-CB 3.31Å; L52-S56 PolarHBondContact O-N 2.85Å
53S98.4Very high98.6Very high78 Ų78105.9 Ų105.955%0.54553%0.528SS..Hα-helixtrans-58.8-45.11731800000111.7E49 E50 I55 S56 L57E49-S53 VanDerWaalsContact O-CB 3.26Å; E49-S53 WeakPolarHBondContact O-CB 3.27Å; E49-S53 PolarHBondContact O-N 3.45Å; E50-S53 PolarHBondContact O-N 3.28Å; S53-I55 PolarHBondContact O-N 3.38Å; S53-S56 PolarHBondContact O-N 3.5Å; S53-L57 PolarHBondContact O-N 2.97Å
54N98.6Very high98.5Very high91 Ų91101.2 Ų101.249%0.48752%0.519SS..Hα-helixtrans-61.7-45.4177.1-172.1-92.6000112.5E50 K51 L52 L57 R58E50-N54 PolarHBondContact O-N 3.25Å; K51-N54 PolarHBondContact O-N 3.5Å; L52-N54 VanDerWaalsContact C-N 3.35Å; L52-N54 PolarHBondContact O-N 3.32Å; N54-L57 PolarHBondContact O-N 3.45Å; N54-R58 WeakPolarHBondContact O-CG 3.17Å; N54-R58 PolarHBondContact O-N 3.5Å; N54-R58 VanDerWaalsContact O-N 3.1Å
55I98.6Very high98.5Very high99 Ų9999.3 Ų99.351%0.50852%0.517SS..Hα-helixtrans-62.5-44.5177-68.4169000110.6K51 L52 S53 L57 R58 I59K51-I55 WeakPolarHBondContact O-CG1 3.35Å; K51-I55 PolarHBondContact O-N 2.86Å; L52-I55 PolarHBondContact O-N 2.97Å; S53-I55 PolarHBondContact O-N 3.38Å; I55-L57 VanDerWaalsContact C-N 3.3Å; I55-L57 PolarHBondContact O-N 3.26Å; I55-R58 PolarHBondContact O-N 3.49Å; I55-I59 HydrophobicContact CG2-CD1 3.91Å; I55-I59 HydrophobicContact CG2-CG1 4.47Å; I55-I59 WeakPolarHBondContact O-CG1 3.17Å; I55-I59 PolarHBondContact O-N 3.26Å
56S98.6Very high98.5Very high66 Ų66101.3 Ų101.346%0.46252%0.523SS..Hα-helixtrans-57.6-44.2177.6-1700000111.6L52 S53 R58 I59 Q60L52-S56 WeakPolarHBondContact O-CB 3.31Å; L52-S56 PolarHBondContact O-N 2.85Å; S53-S56 PolarHBondContact O-N 3.5Å; S56-R58 VanDerWaalsContact C-N 3.35Å; S56-R58 PolarHBondContact O-N 2.91Å; S56-I59 PolarHBondContact O-N 3.44Å; S56-Q60 PolarHBondContact O-N 2.82Å
57L98.6Very high98.4Very high109 Ų109101.5 Ų101.557%0.57153%0.526SS*.Hα-helixtrans-63-42.2178.5-176.168.3000111.8S53 N54 I55 I59 Q60 Q61S53-L57 PolarHBondContact O-N 2.97Å; N54-L57 PolarHBondContact O-N 3.45Å; I55-L57 VanDerWaalsContact C-N 3.3Å; I55-L57 PolarHBondContact O-N 3.26Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 2.78Å; L57-Q60 PolarHBondContact O-N 2.89Å; L57-Q61 PolarHBondContact O-N 3.19Å
58R98.5Very high98.3Very high156 Ų156103.4 Ų103.459%0.58953%0.534SS*.Hα-helixtrans-64.2-39.8177.9-70179.668.1-174.80.4112N54 I55 S56 Q61 I62N54-R58 WeakPolarHBondContact O-CG 3.17Å; N54-R58 PolarHBondContact O-N 3.5Å; N54-R58 VanDerWaalsContact O-N 3.1Å; I55-R58 PolarHBondContact O-N 3.49Å; S56-R58 VanDerWaalsContact C-N 3.35Å; S56-R58 PolarHBondContact O-N 2.91Å; R58-Q61 PolarHBondContact O-N 3.45Å; R58-I62 VanDerWaalsContact O-CG1 3.32Å; R58-I62 WeakPolarHBondContact O-CG1 3.31Å; R58-I62 PolarHBondContact O-N 2.86Å
59I98.6Very high98.2Very high102 Ų102105.9 Ų105.952%0.52354%0.543SS..Hα-helixtrans-61.9-47.2174.7-69168.9000110I55 S56 L57 Q61 I62 E63I55-I59 HydrophobicContact CG2-CD1 3.91Å; I55-I59 HydrophobicContact CG2-CG1 4.47Å; I55-I59 WeakPolarHBondContact O-CG1 3.17Å; I55-I59 PolarHBondContact O-N 3.26Å; S56-I59 PolarHBondContact O-N 3.44Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 2.78Å; I59-Q61 VanDerWaalsContact C-N 3.29Å; I59-Q61 PolarHBondContact O-N 2.75Å; I59-I62 WeakPolarHBondContact O-CB 3.46Å; I59-I62 PolarHBondContact O-N 3.37Å; I59-I62 VanDerWaalsContact O-N 3.1Å; I59-E63 PolarHBondContact O-N 2.86Å
60Q98.6Very high98Very high115 Ų115105.3 Ų105.354%0.53754%0.541SS..Hα-helixtrans-62.7-35.8179.1-166.3172.516.700112.6S56 L57 E63 T64S56-Q60 PolarHBondContact O-N 2.82Å; L57-Q60 PolarHBondContact O-N 2.89Å; Q60-E63 PolarHBondContact O-N 3.44Å; Q60-T64 WeakPolarHBondContact O-CB 3.4Å; Q60-T64 PolarHBondContact O-N 2.94Å; Q60-T64 PolarHBondContact O-OG1 3.06Å
61Q98.4Very high97.8Very high128 Ų128101.3 Ų101.360%0.59853%0.531SS*.Hα-helixtrans-64.7-42.5173.4-175.6-179.76.700111.8L57 R58 I59 T64 T65L57-Q61 PolarHBondContact O-N 3.19Å; R58-Q61 PolarHBondContact O-N 3.45Å; I59-Q61 VanDerWaalsContact C-N 3.29Å; I59-Q61 PolarHBondContact O-N 2.75Å; Q61-T64 PolarHBondContact O-N 2.83Å; Q61-T65 WeakPolarHBondContact O-CB 3.33Å; Q61-T65 PolarHBondContact O-N 3.36Å; Q61-T65 PolarHBondContact O-OG1 3.48Å
62I98.4Very high97.6Very high115 Ų115101.1 Ų101.159%0.5953%0.53SS*.Hα-helixtrans-62.8-46176.2-68.8166.6000110R58 I59 T64 T65 L66R58-I62 VanDerWaalsContact O-CG1 3.32Å; R58-I62 WeakPolarHBondContact O-CG1 3.31Å; R58-I62 PolarHBondContact O-N 2.86Å; I59-I62 WeakPolarHBondContact O-CB 3.46Å; I59-I62 PolarHBondContact O-N 3.37Å; I59-I62 VanDerWaalsContact O-N 3.1Å; I62-T64 PolarHBondContact O-N 2.88Å; I62-T65 PolarHBondContact O-N 3.44Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 2.9Å
63E98.1Very high97.2Very high128 Ų128100.3 Ų100.360%0.59853%0.526SS*.Hα-helixtrans-59.4-46.2177.9-175.3179.3179.400111.9I59 Q60 T65 L66 C67I59-E63 PolarHBondContact O-N 2.86Å; Q60-E63 PolarHBondContact O-N 3.44Å; E63-T65 VanDerWaalsContact C-N 3.34Å; E63-T65 PolarHBondContact O-N 3.39Å; E63-L66 PolarHBondContact O-N 2.86Å; E63-C67 WeakPolarHBondContact O-CB 3.3Å; E63-C67 PolarHBondContact O-N 3.24Å
64T98.3Very high96.7Very high77 Ų77100.5 Ų100.547%0.47253%0.528SS..Hα-helixtrans-62.9-43177.2-54.40000111.2Q60 Q61 I62 C67 I68Q60-T64 WeakPolarHBondContact O-CB 3.4Å; Q60-T64 PolarHBondContact O-N 2.94Å; Q60-T64 PolarHBondContact O-OG1 3.06Å; Q61-T64 PolarHBondContact O-N 2.83Å; I62-T64 PolarHBondContact O-N 2.88Å; T64-C67 PolarHBondContact O-N 3.42Å; T64-I68 HydrophobicContact CG2-CD1 4.09Å; T64-I68 VanDerWaalsContact O-CG1 3.28Å; T64-I68 WeakPolarHBondContact O-CG1 3.27Å; T64-I68 PolarHBondContact O-N 3.16Å
65T98.1Very high96.3Very high71 Ų71100.3 Ų100.344%0.43653%0.533SS..Hα-helixtrans-65.5-42.2178.9-540000110.9Q61 I62 E63 I68 L69Q61-T65 WeakPolarHBondContact O-CB 3.33Å; Q61-T65 PolarHBondContact O-N 3.36Å; Q61-T65 PolarHBondContact O-OG1 3.48Å; I62-T65 PolarHBondContact O-N 3.44Å; E63-T65 VanDerWaalsContact C-N 3.34Å; E63-T65 PolarHBondContact O-N 3.39Å; T65-I68 PolarHBondContact O-N 3.05Å; T65-L69 HydrophobicContact CG2-CD1 4.33Å; T65-L69 VanDerWaalsContact O-CG 3.3Å; T65-L69 WeakPolarHBondContact O-CG 3.48Å; T65-L69 PolarHBondContact O-N 2.69Å
66L97.5Very high95.7Very high95 Ų9599.4 Ų99.450%0.49753%0.528SS..Hα-helixtrans-59.4-49.3175.1-173.489.2000110.7I62 E63 I68 L69 E70I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 2.9Å; E63-L66 PolarHBondContact O-N 2.86Å; L66-I68 VanDerWaalsContact C-N 3.29Å; L66-I68 PolarHBondContact O-N 3.16Å; L66-L69 CarbonylContact O-C 3.58Å; L66-L69 WeakPolarHBondContact O-CA 3.32Å; L66-L69 WeakPolarHBondContact O-CB 3.29Å; L66-L69 PolarHBondContact O-N 3.04Å; L66-E70 WeakPolarHBondContact CD2-OE1 3.46Å; L66-E70 HydrophobicContact CG-CG 4.5Å; L66-E70 WeakPolarHBondContact O-CG 3.43Å; L66-E70 PolarHBondContact O-N 2.81Å
67C97.6Very high94.4Very high77 Ų77102.2 Ų102.252%0.5255%0.545SS..Hα-helixtrans-58.5-41178.5-174.50000111.9E63 T64 E70 A71E63-C67 WeakPolarHBondContact O-CB 3.3Å; E63-C67 PolarHBondContact O-N 3.24Å; T64-C67 PolarHBondContact O-N 3.42Å; C67-E70 PolarHBondContact O-N 3.36Å; C67-A71 WeakPolarHBondContact O-CB 3.43Å; C67-A71 PolarHBondContact O-N 2.94Å
68I97.4Very high93Very high88 Ų88100.1 Ų100.145%0.45155%0.55SS..Hα-helixtrans-64.5-40.8174.1-66.7164.5000111.2T64 T65 L66 A71 K72T64-I68 HydrophobicContact CG2-CD1 4.09Å; T64-I68 VanDerWaalsContact O-CG1 3.28Å; T64-I68 WeakPolarHBondContact O-CG1 3.27Å; T64-I68 PolarHBondContact O-N 3.16Å; T65-I68 PolarHBondContact O-N 3.05Å; L66-I68 VanDerWaalsContact C-N 3.29Å; L66-I68 PolarHBondContact O-N 3.16Å; I68-A71 PolarHBondContact O-N 3.22Å; I68-K72 HydrophobicContact CG2-CD 4.3Å; I68-K72 WeakPolarHBondContact O-CB 3.44Å; I68-K72 WeakPolarHBondContact O-CG 3.37Å; I68-K72 PolarHBondContact O-N 3.4Å
69L95.9Very high91.6Very high104 Ų10496.2 Ų96.255%0.54554%0.54SS..Hα-helixtrans-66.3-41.2177.8-70.6173.3000111.9T65 L66 K72 L73T65-L69 HydrophobicContact CG2-CD1 4.33Å; T65-L69 VanDerWaalsContact O-CG 3.3Å; T65-L69 WeakPolarHBondContact O-CG 3.48Å; T65-L69 PolarHBondContact O-N 2.69Å; L66-L69 CarbonylContact O-C 3.58Å; L66-L69 WeakPolarHBondContact O-CA 3.32Å; L66-L69 WeakPolarHBondContact O-CB 3.29Å; L66-L69 PolarHBondContact O-N 3.04Å; L69-K72 PolarHBondContact O-N 3.02Å; L69-L73 WeakPolarHBondContact O-CB 3.26Å; L69-L73 PolarHBondContact O-N 3.08Å
70E93.4Very high90Very high110 Ų11097.9 Ų97.951%0.51455%0.55SS.*Hα-helixtrans-62.5-44.2174.2-71.3175.2-179.900111.5L66 C67 K72 L73 S74L66-E70 WeakPolarHBondContact CD2-OE1 3.46Å; L66-E70 HydrophobicContact CG-CG 4.5Å; L66-E70 WeakPolarHBondContact O-CG 3.43Å; L66-E70 PolarHBondContact O-N 2.81Å; C67-E70 PolarHBondContact O-N 3.36Å; E70-K72 VanDerWaalsContact C-N 3.34Å; E70-K72 PolarHBondContact O-N 3.36Å; E70-L73 PolarHBondContact O-N 3.35Å; E70-S74 WeakPolarHBondContact O-CB 3.48Å; E70-S74 PolarHBondContact O-N 2.89Å; E70-S74 PolarHBondContact O-OG 3.23Å
71A94.1Very high88.4Confident54 Ų54101 Ų10145%0.44657%0.565SS.*Hα-helixtrans-62.4-40.6174.500000111.8C67 I68 S74 S75C67-A71 WeakPolarHBondContact O-CB 3.43Å; C67-A71 PolarHBondContact O-N 2.94Å; I68-A71 PolarHBondContact O-N 3.22Å; A71-S74 WeakPolarHBondContact CA-OG 3.34Å; A71-S74 PolarHBondContact O-OG 3.04Å; A71-S75 WeakPolarHBondContact O-CB 3.42Å; A71-S75 PolarHBondContact O-N 2.72Å; A71-S75 VanDerWaalsContact O-N 3.1Å
72K94.2Very high86.7Confident133 Ų13399.9 Ų99.958%0.57857%0.566SS**Hα-helixtrans-65.5-41.8175.2-78.4-177.9173.6-170.70112I68 L69 E70 S75I68-K72 HydrophobicContact CG2-CD 4.3Å; I68-K72 WeakPolarHBondContact O-CB 3.44Å; I68-K72 WeakPolarHBondContact O-CG 3.37Å; I68-K72 PolarHBondContact O-N 3.4Å; L69-K72 PolarHBondContact O-N 3.02Å; E70-K72 VanDerWaalsContact C-N 3.34Å; E70-K72 PolarHBondContact O-N 3.36Å; K72-S75 PolarHBondContact O-N 3.4Å; K72-S75 PolarHBondContact O-OG 3.14Å
73L90.4Very high84.9Confident110 Ų11099 Ų9958%0.57657%0.567SS**Hα-helixtrans-66.6-45.1-179.6-161.173.5000111.4L69 E70 S75 I76 L79L69-L73 WeakPolarHBondContact O-CB 3.26Å; L69-L73 PolarHBondContact O-N 3.08Å; E70-L73 PolarHBondContact O-N 3.35Å; L73-S75 PolarHBondContact O-N 3.18Å; L73-I76 PolarHBondContact O-N 2.81Å; L73-L79 HydrophobicContact CD1-CD1 4.19Å
74S89.5Confident83.1Confident83 Ų8399.2 Ų99.258%0.5858%0.577SS**Hα-helixtrans-66.6-21.5175.854.40000113.8E70 A71 I76E70-S74 WeakPolarHBondContact O-CB 3.48Å; E70-S74 PolarHBondContact O-N 2.89Å; E70-S74 PolarHBondContact O-OG 3.23Å; A71-S74 WeakPolarHBondContact CA-OG 3.34Å; A71-S74 PolarHBondContact O-OG 3.04Å; S74-I76 VanDerWaalsContact C-N 3.3Å; S74-I76 PolarHBondContact O-N 3.14Å
75S89.1Confident80.9Confident87 Ų87103.2 Ų103.261%0.60860%0.595SS**THydrogen-bonded Turntrans-78.1-10176.475.50000114.6A71 K72 L73 P77A71-S75 WeakPolarHBondContact O-CB 3.42Å; A71-S75 PolarHBondContact O-N 2.72Å; A71-S75 VanDerWaalsContact O-N 3.1Å; K72-S75 PolarHBondContact O-N 3.4Å; K72-S75 PolarHBondContact O-OG 3.14Å; L73-S75 PolarHBondContact O-N 3.18Å; S75-P77 WeakPolarHBondContact O-CD 3.28Å
76I87.3Confident79Confident79 Ų79102.6 Ų102.641%0.40560%0.603SS.*SBendtrans-89.9113.3179.1-60.5167000109.2L73 S74 G78 L79L73-I76 PolarHBondContact O-N 2.81Å; S74-I76 VanDerWaalsContact C-N 3.3Å; S74-I76 PolarHBondContact O-N 3.14Å; I76-G78 PolarHBondContact O-N 3.5Å; I76-L79 HydrophobicContact CB-CD1 3.7Å; I76-L79 HydrophobicContact CB-CG 4.27Å; I76-L79 HydrophobicContact CD1-CD1 3.63Å; I76-L79 HydrophobicContact CG1-CD1 4.27Å; I76-L79 HydrophobicContact CG2-CB 4.49Å; I76-L79 HydrophobicContact CG2-CD1 3.54Å; I76-L79 HydrophobicContact CG2-CG 3.78Å
77P70.9Confident76.9Confident125 Ų125106.3 Ų106.381%0.81262%0.622SS**THydrogen-bonded Turntrans-67.9129.9-179.925.3-31.3000111.5S75S75-P77 WeakPolarHBondContact O-CD 3.28Å
78G68.9Low74.5Confident65 Ų65109.9 Ų109.967%0.6764%0.636SS**THydrogen-bonded Turntrans94.54.4175.700000116I76I76-G78 PolarHBondContact O-N 3.5Å
79L68.9Low72.2Confident74 Ų74114.6 Ų114.639%0.38766%0.656SS.*  trans-89.5-12.9175.4-83.5-177.7000114.6L73 I76 E81 V82L73-L79 HydrophobicContact CD1-CD1 4.19Å; I76-L79 HydrophobicContact CB-CD1 3.7Å; I76-L79 HydrophobicContact CB-CG 4.27Å; I76-L79 HydrophobicContact CD1-CD1 3.63Å; I76-L79 HydrophobicContact CG1-CD1 4.27Å; I76-L79 HydrophobicContact CG2-CB 4.49Å; I76-L79 HydrophobicContact CG2-CD1 3.54Å; I76-L79 HydrophobicContact CG2-CG 3.78Å; L79-E81 PolarHBondContact O-N 2.57Å; L79-V82 HydrophobicContact CD2-CG2 4.19Å; L79-V82 PolarHBondContact O-N 2.87Å
80D65.9Low69.8Low137 Ų137117.6 Ų117.673%0.73367%0.667SS**THydrogen-bonded Turntrans-64.7-24.6-177.6-60.2-69.3000113.9
81E63.1Low67.3Low182 Ų182121 Ų12185%0.8568%0.683SS**THydrogen-bonded Turntrans-93.9-4.6-178.9-97.4-171.9157.500114.4L79 T83L79-E81 PolarHBondContact O-N 2.57Å; E81-T83 PolarHBondContact O-N 2.96Å
82V64.4Low64.7Low103 Ų103124 Ų12462%0.62470%0.701SS**  trans-79.969.5175.9-171.10000109.2L79L79-V82 HydrophobicContact CD2-CG2 4.19Å; L79-V82 PolarHBondContact O-N 2.87Å
83T58.7Low61.8Low98 Ų98124.3 Ų124.360%0.60171%0.714SS**  trans-70.4130.3164.7-58.80000107.5E81 D85E81-T83 PolarHBondContact O-N 2.96Å; T83-D85 PolarHBondContact O-N 3.46Å
84V62Low59.9Low132 Ų132127.8 Ų127.880%0.873%0.727SS**  trans-70.183.1173.9-163.30000107.7G86V84-G86 PolarHBondContact O-N 3.31Å
85D51.6Low57.5Low161 Ų161128.6 Ų128.686%0.86173%0.733SS**THydrogen-bonded Turntrans-66.376.9169.3-82.4-44000108.8T83T83-D85 PolarHBondContact O-N 3.46Å
86G58.8Low55Low58 Ų58131.5 Ų131.560%0.59874%0.741SS**THydrogen-bonded Turntrans-154.7-10.4-176.400000116.4V84V84-G86 PolarHBondContact O-N 3.31Å
87L52.9Low52.6Low173 Ų173131.2 Ų131.291%0.90676%0.758SS**SBendtrans-151.124.1-176.2-89.2173.1000116.6
88N46.7Very low51.4Low151 Ų151131 Ų13181%0.80776%0.756SS**  trans-143.858.2174.1-139-33.4000116
89Q50Low49.7Very low188 Ų188134.4 Ų134.488%0.87976%0.764SS**  trans-108.981.9154-167.9160.9104.700109.4
90Q44.8Very low48.4Very low166 Ų166136.7 Ų136.778%0.77679%0.786SS**  trans158.698.7137.2-89.5171.8-3.300110.2
91Q40.7Very low47.1Very low181 Ų181134.9 Ų134.985%0.84679%0.79SS**  173.2101.6112.2-97.4171.3-26.400110.3
92S39Very low45.7Very low118 Ų118131.7 Ų131.783%0.82579%0.788SS**  trans-116.1110.5139.777.90000107.4
93V35Very low44.4Very low139 Ų139135.9 Ų135.984%0.84280%0.801SS**  trans-133.5128.1153-145.30000107
94Q49.6Very low43.2Very low183 Ų183138.5 Ų138.586%0.85581%0.811SS**  trans-69.6158.1-172.3-64.1171.6-15.300113
95S39.7Very low42.1Very low100 Ų100141 Ų14170%0.69981%0.814SS**  trans50.4106.6139.8-1570000119.5
96N36.4Very low41.3Very low148 Ų148139.2 Ų139.279%0.79181%0.814SS**  174.2136.5109.4-91-12.2000109.5
97G36.5Very low40Very low73 Ų73144.4 Ų144.475%0.75383%0.828SS**  trans-60.4162.5174.300000112.6
98P46.4Very low39.1Very low120 Ų120139.7 Ų139.778%0.77982%0.822SS**  -138.9146.9114.318.72.8000115.1
99V32.1Very low38.5Very low137 Ų137139 Ų13983%0.8382%0.823SS**  trans-0.6136.4146.4-67.80000120.2
100S42.4Very low37.8Very low123 Ų123140 Ų14086%0.8682%0.824SS**  trans-57.1135.2150.8-59.50000111.7
101A38.4Very low37.3Very low98 Ų98137 Ų13781%0.8183%0.828SS**  trans155.7116.7136.900000111
102S32.7Very low36.8Very low115 Ų115132.4 Ų132.480%0.80483%0.829SS**  trans-171.999.3139.5-131.20000107.7
103Q37Very low36.4Very low192 Ų192130.6 Ų130.690%0.89783%0.829SS**  65.2117.985.2-111.7177.1-2.800115.7
104N33.5Very low36.4Very low153 Ų153128.4 Ų128.482%0.81883%0.826SS**  trans-44.5163.5168.2-112.7-5.8000117.6
105Q39.8Very low36.3Very low185 Ų185125.5 Ų125.586%0.86482%0.822SS**  trans96.1118.5157.1-73.2175.220.400119
106S34.4Very low36.7Very low122 Ų122126.3 Ų126.385%0.85383%0.825SS**  -164.1124.7111.456.80000112.4
107D32.7Very low36.6Very low167 Ų167124.5 Ų124.589%0.89382%0.824SS**  trans-55.7153.8161.2-108.7-62000113.1
108G33.5Very low36.8Very low75 Ų75129.6 Ų129.677%0.77383%0.829SS**  trans175.584.4172.500000115.9
109V34.6Very low36.4Very low136 Ų136129.8 Ų129.882%0.82483%0.83SS**  trans-62136.2172.9172.50000113.3
110K34.5Very low36.3Very low208 Ų208127.5 Ų127.590%0.90482%0.82SS**  -168143.5127.2-123.2177.6179.6179.30115.4
111A35Very low35.8Very low105 Ų105130.2 Ų130.287%0.86882%0.819SS**  trans-76.4163.2-172.800000115.7
112G30.5Very low35.5Very low83 Ų83131.4 Ų131.486%0.85682%0.821SS**  trans148.6121.7148.500000114
113G30.1Very low35.6Very low81 Ų81134.9 Ų134.984%0.83583%0.825SS**  trans136.299.715700000114.9
114A35.3Very low35.8Very low93 Ų93131 Ų13177%0.76982%0.816SS**  trans-66.1164.8-176.800000115.5
115P47Very low35.5Very low121 Ų121132.6 Ų132.679%0.78682%0.819SS**  trans-84.6160.817135.8-32.9000111.7
116P47.5Very low35.1Very low117 Ų117127.9 Ų127.976%0.7681%0.812SS**  trans-116.7118.7152.632.4-19.1000109.5
117S35.4Very low35.3Very low111 Ų111126.6 Ų126.678%0.77681%0.808SS**  98.8109.577-68.10000111
118Q39.5Very low35.4Very low180 Ų180124.8 Ų124.884%0.84181%0.806SS**  trans-55.7160.7151.9-76.8175.5-59.100110.7
119P37.8Very low35.6Very low124 Ų124125.5 Ų125.581%0.80580%0.804SS**  -127.3119.81228.911.6000112.8
120S30.1Very low36.1Very low89 Ų89124.8 Ų124.862%0.62280%0.802SS**  trans20.9134.4130.2-55.50000122.6
121Q32.7Very low36Very low180 Ų180124.6 Ų124.684%0.84181%0.805SS**  trans73.6114.6133.9-72.2174.1-6.100119.5
122S31.4Very low35.9Very low123 Ų123129 Ų12986%0.8680%0.804SS**  -176.2120.6105.821.60000112
123Q35.5Very low36.2Very low188 Ų188128.9 Ų128.988%0.87980%0.795SS**  trans-93.5149.1144.9-104.4-178-4.900105.5
124P41.3Very low36.3Very low109 Ų109133.5 Ų133.571%0.70880%0.795SS**  -149.8168.468.639.3-19.4000116.5
125E27.8Very low36.3Very low187 Ų187132.7 Ų132.787%0.87479%0.788SS**  trans95.8144.4137.7-146.8149118.700121.3
126A30.8Very low36Very low87 Ų87133.5 Ų133.572%0.71979%0.791SS**  trans83.293.4163.900000119
127A37.5Very low36.2Very low94 Ų94133 Ų13378%0.77779%0.788SS**  trans-54155.2140.400000110.8
128P35.8Very low36.3Very low130 Ų130136.3 Ų136.384%0.84479%0.791SS**  -134.1157103.633-20.3000113.5
129A38Very low36.8Very low90 Ų90135.3 Ų135.374%0.74479%0.791SS**  trans-87.4-167-176.600000111.3
130P44.1Very low37.1Very low120 Ų120133.8 Ų133.878%0.77978%0.779SS**  trans-93155.6-133.135.6-19.3000113.8
131Q32.2Very low37.6Very low205 Ų205135.8 Ų135.896%0.95878%0.78SS**  trans-127.5127.1162.3-70-172-1.400111.4
132K33.5Very low38.6Very low197 Ų197129.5 Ų129.586%0.85775%0.754SS**  trans-108.1146.4-176.3178.9-166177.7-165.30107.3
133A35.9Very low39.5Very low80 Ų80124 Ų12466%0.66172%0.716SS**  trans72.7142.9160.800000115.4
134E33.5Very low40.2Very low179 Ų179117.9 Ų117.984%0.83670%0.697SS**  cis-174.8146.816.4-168.4162.1142.100110.4
135A34.7Very low40.8Very low76 Ų76120.1 Ų120.163%0.62870%0.696SS**  trans54.5111.3147.800000124.2
136V40.6Very low42.4Very low138 Ų138113 Ų11384%0.83666%0.663SS**  63.7143.497-1330000114.7
137P51.4Low44.1Very low107 Ų107116.9 Ų116.970%0.69567%0.667SS**  cis-125.5155.413.636.5-16.6000114.1
138E37.8Very low45.5Very low179 Ų179119.3 Ų119.384%0.83666%0.656SS**  -168.2151.593.9-96.5177.7160.200111.2V140E138-V140 PolarHBondContact O-N 2.89Å
139N51Low47.2Very low160 Ų160114 Ų11486%0.85662%0.619SS**  trans-67.585.4-175-174.639.9000112.2
140V43.1Very low49Very low91 Ų91111.7 Ų111.755%0.55260%0.6SS**  trans-128.6117.5162.5-169.70000107.4E138 T142E138-V140 PolarHBondContact O-N 2.89Å; V140-T142 PolarHBondContact O-N 3.48Å
141M41.5Very low50.8Low132 Ų132112.4 Ų112.465%0.6559%0.587SS**  trans-68.597.1174.9-70.5-173.875.500108.2V186M141-V186 WeakPolarHBondContact O-CG2 3.42Å
142T53.7Low53.1Low48 Ų48102.6 Ų102.629%0.29454%0.541SS..BIsolated β-bridgetrans-77.3149.7173.950.70000110.2V140 A144 K145V140-T142 PolarHBondContact O-N 3.48Å; T142-A144 PolarHBondContact O-N 3.06Å; T142-K145 WeakPolarHBondContact O-CB 3.46Å; T142-K145 PolarHBondContact O-N 3.49Å
143V50.6Low55.2Low8 Ų895.8 Ų95.85%0.04851%0.514CS..G310 helixtrans-52.6-30.6-178.5179.30000112.4K145 D146 Y149 L178 A184 V186V143-K145 PolarHBondContact O-N 2.99Å; V143-D146 PolarHBondContact O-N 3.31Å; V143-Y149 HydrophobicContact CG1-CD1 3.7Å; V143-Y149 HydrophobicContact CG1-CD2 4.03Å; V143-Y149 HydrophobicContact CG1-CE1 4.29Å; V143-Y149 HydrophobicContact CG1-CG 3.55Å; V143-L178 HydrophobicContact CB-CD2 4.05Å; V143-L178 HydrophobicContact CB-CG 4.28Å; V143-L178 HydrophobicContact CG1-CB 4.2Å; V143-L178 HydrophobicContact CG1-CD2 3.57Å; V143-L178 HydrophobicContact CG1-CG 3.79Å; V143-L178 HydrophobicContact CG2-CD1 4.46Å; V143-L178 HydrophobicContact CG2-CD2 3.24Å; V143-L178 HydrophobicContact CG2-CG 3.66Å; V143-A184 VanDerWaalsContact CG2-O 3.23Å; V143-A184 WeakPolarHBondContact CG2-O 3Å; V143-V186 HydrophobicContact CB-CG2 4.21Å; V143-V186 HydrophobicContact CG2-CB 4.45Å; V143-V186 HydrophobicContact CG2-CG2 3.4Å; V143-V186 VanDerWaalsContact CG2-CG2 3.4Å
144A50.3Low57.3Low58 Ų5899.3 Ų99.348%0.47951%0.514SS..G310 helixtrans-61.9-19.8174.700000114.3T142T142-A144 PolarHBondContact O-N 3.06Å
145K53.1Low59.7Low157 Ų15793 Ų9368%0.68349%0.486SS*.G310 helixtrans-99.9-10.9179.8-68.5180-179.9171.30114T142 V143 Q147T142-K145 WeakPolarHBondContact O-CB 3.46Å; T142-K145 PolarHBondContact O-N 3.49Å; V143-K145 PolarHBondContact O-N 2.99Å; K145-Q147 PolarHBondContact O-N 3.42Å
146D61.8Low61.9Low36 Ų3692.8 Ų92.819%0.19348%0.476CS..  trans-75.7119.6172-169.1-23.3000108.8V143 R148 Y149 A150V143-D146 PolarHBondContact O-N 3.31Å; D146-R148 PolarHBondContact O-N 3.09Å; D146-R148 WeakPolarHBondContact OD1-CB 3.11Å; D146-R148 PolarHBondContact OD1-N 3.43Å; D146-R148 IonicContact OD1-NE 3.19Å; D146-R148 PolarHBondContact OD1-NE 2.8Å; D146-R148 IonicContact OD2-CZ 2.69Å; D146-R148 IonicContact OD2-NE 2.8Å; D146-R148 PolarHBondContact OD2-NE 3.46Å; D146-R148 IonicContact OD2-NH2 3.43Å; D146-R148 PolarHBondContact OD2-NH2 3.37Å; D146-Y149 HydrophobicContact CB-CD2 4.12Å; D146-Y149 PolarHBondContact O-N 3.37Å; D146-Y149 VanDerWaalsContact O-N 3.09Å; D146-A150 PolarHBondContact O-N 3.49Å
147Q66.3Low63.7Low170 Ų17093.9 Ų93.979%0.79447%0.472SS*.Hα-helixtrans-55-25.9-179.6-170.3168.810.600112.3K145 R151K145-Q147 PolarHBondContact O-N 3.42Å; Q147-R151 PolarHBondContact O-N 3Å
148R67.4Low65.1Low144 Ų14493.7 Ų93.754%0.54347%0.468SS..Hα-helixtrans-72.4-46.4178-60.3178.5-68.3175.50.1111.9D146 Y152 L174D146-R148 PolarHBondContact O-N 3.09Å; D146-R148 WeakPolarHBondContact OD1-CB 3.11Å; D146-R148 PolarHBondContact OD1-N 3.43Å; D146-R148 IonicContact OD1-NE 3.19Å; D146-R148 PolarHBondContact OD1-NE 2.8Å; D146-R148 IonicContact OD2-CZ 2.69Å; D146-R148 IonicContact OD2-NE 2.8Å; D146-R148 PolarHBondContact OD2-NE 3.46Å; D146-R148 IonicContact OD2-NH2 3.43Å; D146-R148 PolarHBondContact OD2-NH2 3.37Å; R148-Y152 WeakPolarHBondContact O-CD2 3.38Å; R148-Y152 WeakPolarHBondContact O-CE2 3.27Å; R148-L174 HydrophobicContact CB-CD2 3.67Å
149Y71.4Confident67.1Low20 Ų2088.2 Ų88.28%0.07846%0.46CS..Hα-helixtrans-72.9-37.6176.7-76-89.6000112V143 D146 R151 Y152 L153 M169 L174 D175 L178V143-Y149 HydrophobicContact CG1-CD1 3.7Å; V143-Y149 HydrophobicContact CG1-CD2 4.03Å; V143-Y149 HydrophobicContact CG1-CE1 4.29Å; V143-Y149 HydrophobicContact CG1-CG 3.55Å; D146-Y149 HydrophobicContact CB-CD2 4.12Å; D146-Y149 PolarHBondContact O-N 3.37Å; D146-Y149 VanDerWaalsContact O-N 3.09Å; Y149-R151 PolarHBondContact O-N 3.03Å; Y149-R151 VanDerWaalsContact O-N 3.16Å; Y149-Y152 WeakPolarHBondContact O-CA 3.49Å; Y149-Y152 PolarHBondContact O-N 2.96Å; Y149-L153 WeakPolarHBondContact O-CD1 3.26Å; Y149-L153 PolarHBondContact O-N 3.19Å; Y149-M169 HydrophobicContact CD1-CE 3.51Å; Y149-M169 HydrophobicContact CE1-CE 3.29Å; Y149-L174 HydrophobicContact CD1-CD2 4.16Å; Y149-L174 HydrophobicContact CD2-CD2 3.67Å; Y149-L174 HydrophobicContact CD2-CG 4.36Å; Y149-L174 HydrophobicContact CE1-CB 4.19Å; Y149-L174 HydrophobicContact CE1-CD2 4.05Å; Y149-L174 HydrophobicContact CE1-CG 4.31Å; Y149-L174 HydrophobicContact CE2-CB 4.42Å; Y149-L174 HydrophobicContact CE2-CD2 3.55Å; Y149-L174 HydrophobicContact CE2-CG 3.73Å; Y149-L174 HydrophobicContact CG-CD2 3.98Å; Y149-D175 PolarHBondContact OH-N 3.3Å; Y149-L178 HydrophobicContact CD1-CB 4.21Å; Y149-L178 HydrophobicContact CD1-CD2 4.47Å; Y149-L178 HydrophobicContact CE1-CB 3.77Å; Y149-L178 HydrophobicContact CE1-CD2 3.85Å; Y149-L178 HydrophobicContact CE1-CG 4.47Å
150A75.5Confident68.6Low41 Ų4183.3 Ų83.334%0.33944%0.436SS..Hα-helixtrans-55.6-34.7177.200000113.2D146 Y152 K154D146-A150 PolarHBondContact O-N 3.49Å; A150-Y152 VanDerWaalsContact C-N 3.34Å; A150-Y152 PolarHBondContact O-N 3.16Å; A150-K154 WeakPolarHBondContact O-CB 3.38Å; A150-K154 PolarHBondContact O-N 3.01Å
151R81.4Confident70.5Confident134 Ų13483 Ų8351%0.50644%0.436SS..Hα-helixtrans-61.6-40.8173.9-175-178.9-177.2-1743.7112Q147 Y149 M155Q147-R151 PolarHBondContact O-N 3Å; Y149-R151 PolarHBondContact O-N 3.03Å; Y149-R151 VanDerWaalsContact O-N 3.16Å; R151-M155 HydrophobicContact CG-CE 4.18Å; R151-M155 WeakPolarHBondContact O-CG 3.42Å; R151-M155 PolarHBondContact O-N 3.25Å
152Y79.6Confident72.3Confident0 Ų080 Ų800%043%0.426CS..Hα-helixtrans-79.1-36.3-178.1-64.6-66.3000112.6R148 Y149 A150 K154 M155 V156 I165 K168 M169 E172 L174R148-Y152 WeakPolarHBondContact O-CD2 3.38Å; R148-Y152 WeakPolarHBondContact O-CE2 3.27Å; Y149-Y152 WeakPolarHBondContact O-CA 3.49Å; Y149-Y152 PolarHBondContact O-N 2.96Å; A150-Y152 VanDerWaalsContact C-N 3.34Å; A150-Y152 PolarHBondContact O-N 3.16Å; Y152-K154 VanDerWaalsContact C-N 3.31Å; Y152-K154 PolarHBondContact O-N 2.9Å; Y152-M155 HydrophobicContact CD1-SD 3.96Å; Y152-M155 HydrophobicContact CE1-SD 4.31Å; Y152-M155 WeakPolarHBondContact O-CB 3.37Å; Y152-M155 PolarHBondContact O-N 3.22Å; Y152-M155 VanDerWaalsContact O-N 3.09Å; Y152-V156 PolarHBondContact O-N 3.49Å; Y152-I165 HydrophobicContact CD1-CG2 3.65Å; Y152-I165 HydrophobicContact CG-CG2 4.12Å; Y152-K168 HydrophobicContact CE1-CB 4.15Å; Y152-K168 HydrophobicContact CE1-CD 4.24Å; Y152-K168 HydrophobicContact CE1-CG 4.02Å; Y152-K168 PolarHBondContact OH-NZ 2.94Å; Y152-M169 HydrophobicContact CD1-CG 3.61Å; Y152-M169 HydrophobicContact CD1-SD 4.19Å; Y152-M169 HydrophobicContact CD2-CE 4.44Å; Y152-M169 HydrophobicContact CD2-CG 3.41Å; Y152-M169 VanDerWaalsContact CD2-CG 3.41Å; Y152-M169 HydrophobicContact CD2-SD 3.89Å; Y152-M169 HydrophobicContact CE1-CG 3.75Å; Y152-M169 HydrophobicContact CE2-CG 3.62Å; Y152-M169 HydrophobicContact CG-CG 3.43Å; Y152-M169 VanDerWaalsContact CG-CG 3.43Å; Y152-M169 HydrophobicContact CG-SD 3.64Å; Y152-E172 PolarHBondContact OH-OE1 3.42Å; Y152-E172 VanDerWaalsContact OH-OE1 3.04Å; Y152-E172 PolarHBondContact OH-OE2 3.04Å; Y152-L174 HydrophobicContact CD2-CD2 4.24Å; Y152-L174 HydrophobicContact CE2-CD2 4.06Å
153L79.1Confident73.5Confident54 Ų5482.5 Ų82.528%0.28344%0.436SS..Hα-helixtrans-61.7-40.2170.9-84.175.5000111.2Y149 M155 V156 Q157 L179Y149-L153 WeakPolarHBondContact O-CD1 3.26Å; Y149-L153 PolarHBondContact O-N 3.19Å; L153-M155 VanDerWaalsContact C-N 3.29Å; L153-M155 PolarHBondContact O-N 3.41Å; L153-V156 PolarHBondContact O-N 2.96Å; L153-Q157 PolarHBondContact O-N 3.4Å; L153-L179 HydrophobicContact CD1-CD2 4.07Å
154K80.4Confident74.9Confident153 Ų15384.6 Ų84.667%0.66545%0.454SS*.Hα-helixtrans-63.7-34.2173.4-169.1172-176.9171.10112.2A150 Y152 Q157 V158A150-K154 WeakPolarHBondContact O-CB 3.38Å; A150-K154 PolarHBondContact O-N 3.01Å; Y152-K154 VanDerWaalsContact C-N 3.31Å; Y152-K154 PolarHBondContact O-N 2.9Å; K154-Q157 PolarHBondContact O-N 3.37Å; K154-V158 WeakPolarHBondContact O-CG1 3.34Å; K154-V158 WeakPolarHBondContact O-CG2 3.39Å; K154-V158 PolarHBondContact O-N 3.47Å; K154-V158 VanDerWaalsContact O-N 3.08Å
155M82.9Confident76.6Confident48 Ų4881.9 Ų81.924%0.23643%0.432CS..Hα-helixtrans-66.6-39.2174.9-73.4175.2177.500112.2R151 Y152 L153 V158 G159 V160 I165R151-M155 HydrophobicContact CG-CE 4.18Å; R151-M155 WeakPolarHBondContact O-CG 3.42Å; R151-M155 PolarHBondContact O-N 3.25Å; Y152-M155 HydrophobicContact CD1-SD 3.96Å; Y152-M155 HydrophobicContact CE1-SD 4.31Å; Y152-M155 WeakPolarHBondContact O-CB 3.37Å; Y152-M155 PolarHBondContact O-N 3.22Å; Y152-M155 VanDerWaalsContact O-N 3.09Å; L153-M155 VanDerWaalsContact C-N 3.29Å; L153-M155 PolarHBondContact O-N 3.41Å; M155-V158 WeakPolarHBondContact O-CG2 3.47Å; M155-V158 PolarHBondContact O-N 3.09Å; M155-G159 PolarHBondContact O-N 3.04Å; M155-V160 HydrophobicContact CB-CB 4.26Å; M155-V160 HydrophobicContact CB-CG2 4.27Å; M155-V160 WeakPolarHBondContact O-CB 3.23Å; M155-V160 PolarHBondContact O-N 3.45Å; M155-I165 HydrophobicContact CB-CD1 3.67Å; M155-I165 HydrophobicContact CB-CG1 3.99Å
156V81.9Confident78Confident70 Ų7078.5 Ų78.542%0.42442%0.415SS..Hα-helixtrans-62.5-45.7172.1177.30000110.3Y152 L153 V158 G159 I165 L179Y152-V156 PolarHBondContact O-N 3.49Å; L153-V156 PolarHBondContact O-N 2.96Å; V156-V158 VanDerWaalsContact C-N 3.29Å; V156-V158 PolarHBondContact O-N 3.45Å; V156-G159 PolarHBondContact O-N 3.05Å; V156-I165 HydrophobicContact CB-CD1 4.29Å; V156-I165 HydrophobicContact CG2-CD1 3.48Å; V156-I165 VanDerWaalsContact CG2-CD1 3.48Å; V156-L179 HydrophobicContact CG2-CD2 3.7Å
157Q77.4Confident79Confident162 Ų16281.7 Ų81.776%0.75743%0.431SS*.Hα-helixtrans-61.6-32.8-179.4-17263.442.100113.5L153 K154 G159L153-Q157 PolarHBondContact O-N 3.4Å; K154-Q157 PolarHBondContact O-N 3.37Å; Q157-G159 VanDerWaalsContact C-N 3.3Å
158V81.6Confident79.7Confident102 Ų10276.8 Ų76.862%0.61841%0.407SS*.THydrogen-bonded Turntrans-89.69.7178.2-56.40000113.3K154 M155 V156 V160K154-V158 WeakPolarHBondContact O-CG1 3.34Å; K154-V158 WeakPolarHBondContact O-CG2 3.39Å; K154-V158 PolarHBondContact O-N 3.47Å; K154-V158 VanDerWaalsContact O-N 3.08Å; M155-V158 WeakPolarHBondContact O-CG2 3.47Å; M155-V158 PolarHBondContact O-N 3.09Å; V156-V158 VanDerWaalsContact C-N 3.29Å; V156-V158 PolarHBondContact O-N 3.45Å; V158-V160 HydrophobicContact CG2-CG2 3.99Å
159G78.6Confident80.2Confident65 Ų6569.9 Ų69.967%0.6738%0.382SS*.THydrogen-bonded Turntrans82.320.4171.300000115.3M155 V156 Q157M155-G159 PolarHBondContact O-N 3.04Å; V156-G159 PolarHBondContact O-N 3.05Å; Q157-G159 VanDerWaalsContact C-N 3.3Å
160V82.4Confident80.7Confident56 Ų5674.8 Ų74.834%0.33941%0.408SS..  trans-70.4136.6172.5179.20000109.1M155 V158 A164 I165M155-V160 HydrophobicContact CB-CB 4.26Å; M155-V160 HydrophobicContact CB-CG2 4.27Å; M155-V160 WeakPolarHBondContact O-CB 3.23Å; M155-V160 PolarHBondContact O-N 3.45Å; V158-V160 HydrophobicContact CG2-CG2 3.99Å; V160-A164 HydrophobicContact CG1-CB 4.48Å; V160-I165 HydrophobicContact CB-CD1 4Å; V160-I165 HydrophobicContact CB-CG1 4.19Å; V160-I165 HydrophobicContact CG1-CD1 4.17Å; V160-I165 HydrophobicContact CG1-CG1 3.8Å
161P84.2Confident80.7Confident84 Ų8480.7 Ų80.755%0.54543%0.431SS..  trans-55.9130.6-179.4-27.434.7000112.3M163 A164 I165P161-M163 PolarHBondContact O-N 3.43Å; P161-M163 VanDerWaalsContact O-N 3.09Å; P161-A164 PolarHBondContact O-N 2.96Å; P161-I165 PolarHBondContact O-N 3.09Å
162P77.6Confident80.6Confident70 Ų7078.5 Ų78.546%0.45543%0.427SS..Hα-helixtrans-62.4-25.3-174.124.1-34.1000112.6I165 R166P162-I165 PolarHBondContact O-N 3.3Å; P162-R166 WeakPolarHBondContact O-CB 3.43Å; P162-R166 VanDerWaalsContact O-CG 3.28Å; P162-R166 WeakPolarHBondContact O-CG 3.41Å; P162-R166 PolarHBondContact O-N 3.2Å; P162-R166 PolarHBondContact O-NE 2.99Å
163M79.9Confident80.2Confident100 Ų10081.9 Ų81.949%0.49346%0.461SS..Hα-helixtrans-64.1-40.5174.8-51.2-47.4-41.700112.6P161 I165 R166 N167P161-M163 PolarHBondContact O-N 3.43Å; P161-M163 VanDerWaalsContact O-N 3.09Å; M163-I165 VanDerWaalsContact C-N 3.35Å; M163-R166 VanDerWaalsContact CE-NH2 3.29Å; M163-R166 PolarHBondContact O-N 2.82Å; M163-R166 VanDerWaalsContact SD-CZ 3.58Å; M163-R166 PolarHBondContact SD-NH2 3.04Å; M163-N167 PolarHBondContact O-N 3.06Å; M163-N167 PolarHBondContact O-OD1 3.35Å
164A80.9Confident79.8Confident53 Ų5379.6 Ų79.644%0.43845%0.449SS..Hα-helixtrans-69.6-37.7-178.700000111.2V160 P161 K168V160-A164 HydrophobicContact CG1-CB 4.48Å; P161-A164 PolarHBondContact O-N 2.96Å; A164-K168 WeakPolarHBondContact O-CB 3.49Å; A164-K168 PolarHBondContact O-N 2.98Å; A164-K168 VanDerWaalsContact O-N 3.14Å
165I84.1Confident79.4Confident1 Ų177 Ų771%0.00544%0.442CS..Hα-helixtrans-65.7-47.5176.9-56.5175.2000109.8Y152 M155 V156 V160 P161 P162 M163 N167 K168 M169 L179Y152-I165 HydrophobicContact CD1-CG2 3.65Å; Y152-I165 HydrophobicContact CG-CG2 4.12Å; M155-I165 HydrophobicContact CB-CD1 3.67Å; M155-I165 HydrophobicContact CB-CG1 3.99Å; V156-I165 HydrophobicContact CB-CD1 4.29Å; V156-I165 HydrophobicContact CG2-CD1 3.48Å; V156-I165 VanDerWaalsContact CG2-CD1 3.48Å; V160-I165 HydrophobicContact CB-CD1 4Å; V160-I165 HydrophobicContact CB-CG1 4.19Å; V160-I165 HydrophobicContact CG1-CD1 4.17Å; V160-I165 HydrophobicContact CG1-CG1 3.8Å; P161-I165 PolarHBondContact O-N 3.09Å; P162-I165 PolarHBondContact O-N 3.3Å; M163-I165 VanDerWaalsContact C-N 3.35Å; I165-N167 PolarHBondContact O-N 3.38Å; I165-K168 PolarHBondContact O-N 3.26Å; I165-M169 HydrophobicContact CG2-SD 4.18Å; I165-M169 WeakPolarHBondContact O-CG 3.42Å; I165-M169 PolarHBondContact O-N 3.08Å; I165-L179 HydrophobicContact CG2-CD1 3.78Å; I165-L179 HydrophobicContact CG2-CD2 4.22Å
166R83.1Confident78.6Confident86 Ų8676 Ų7633%0.32544%0.44SS..Hα-helixtrans-61-44.1178.3-75.4-171.6-85.4154.4-21.8113.1P162 M163 K168 M169 L170 P176 L179P162-R166 WeakPolarHBondContact O-CB 3.43Å; P162-R166 VanDerWaalsContact O-CG 3.28Å; P162-R166 WeakPolarHBondContact O-CG 3.41Å; P162-R166 PolarHBondContact O-N 3.2Å; P162-R166 PolarHBondContact O-NE 2.99Å; M163-R166 VanDerWaalsContact CE-NH2 3.29Å; M163-R166 PolarHBondContact O-N 2.82Å; M163-R166 VanDerWaalsContact SD-CZ 3.58Å; M163-R166 PolarHBondContact SD-NH2 3.04Å; R166-K168 VanDerWaalsContact C-N 3.29Å; R166-K168 PolarHBondContact O-N 3.17Å; R166-M169 PolarHBondContact O-N 3.29Å; R166-L170 WeakPolarHBondContact O-CB 3.46Å; R166-L170 PolarHBondContact O-N 3.36Å; R166-P176 HydrophobicContact CB-CB 3.93Å; R166-P176 HydrophobicContact CG-CB 3.63Å; R166-L179 HydrophobicContact CG-CD1 4.08Å
167N83.7Confident77.8Confident102 Ų10278.6 Ų78.655%0.54545%0.451SS..Hα-helixtrans-60.8-41175.7-73.6-0.9000111.5M163 I165 L170 M171M163-N167 PolarHBondContact O-N 3.06Å; M163-N167 PolarHBondContact O-OD1 3.35Å; I165-N167 PolarHBondContact O-N 3.38Å; N167-L170 PolarHBondContact O-N 3.06Å; N167-M171 VanDerWaalsContact O-CG 3.26Å; N167-M171 WeakPolarHBondContact O-CG 3.43Å; N167-M171 PolarHBondContact O-N 2.99Å; N167-M171 VanDerWaalsContact O-N 3.08Å
168K79.4Confident77Confident67 Ų6772.2 Ų72.229%0.29142%0.422SS..Hα-helixtrans-71.4-33.7179.6-168.1169.8177.7-63.70112.8Y152 A164 I165 R166 E172Y152-K168 HydrophobicContact CE1-CB 4.15Å; Y152-K168 HydrophobicContact CE1-CD 4.24Å; Y152-K168 HydrophobicContact CE1-CG 4.02Å; Y152-K168 PolarHBondContact OH-NZ 2.94Å; A164-K168 WeakPolarHBondContact O-CB 3.49Å; A164-K168 PolarHBondContact O-N 2.98Å; A164-K168 VanDerWaalsContact O-N 3.14Å; I165-K168 PolarHBondContact O-N 3.26Å; R166-K168 VanDerWaalsContact C-N 3.29Å; R166-K168 PolarHBondContact O-N 3.17Å; K168-E172 IonicContact NZ-OE1 3.11Å; K168-E172 PolarHBondContact NZ-OE1 3.21Å; K168-E172 PolarHBondContact O-N 2.83Å
169M79.9Confident76Confident0 Ų068.5 Ų68.50%040%0.399CS..Hα-helixtrans-66.4-44.2172.4-75.7178.767.100111.8Y149 Y152 I165 R166 M171 E172 G173 L174 D175 L179Y149-M169 HydrophobicContact CD1-CE 3.51Å; Y149-M169 HydrophobicContact CE1-CE 3.29Å; Y152-M169 HydrophobicContact CD1-CG 3.61Å; Y152-M169 HydrophobicContact CD1-SD 4.19Å; Y152-M169 HydrophobicContact CD2-CE 4.44Å; Y152-M169 HydrophobicContact CD2-CG 3.41Å; Y152-M169 VanDerWaalsContact CD2-CG 3.41Å; Y152-M169 HydrophobicContact CD2-SD 3.89Å; Y152-M169 HydrophobicContact CE1-CG 3.75Å; Y152-M169 HydrophobicContact CE2-CG 3.62Å; Y152-M169 HydrophobicContact CG-CG 3.43Å; Y152-M169 VanDerWaalsContact CG-CG 3.43Å; Y152-M169 HydrophobicContact CG-SD 3.64Å; I165-M169 HydrophobicContact CG2-SD 4.18Å; I165-M169 WeakPolarHBondContact O-CG 3.42Å; I165-M169 PolarHBondContact O-N 3.08Å; R166-M169 PolarHBondContact O-N 3.29Å; M169-M171 VanDerWaalsContact C-N 3.28Å; M169-M171 PolarHBondContact O-N 3.07Å; M169-E172 CarbonylContact O-C 3.47Å; M169-E172 PolarHBondContact O-N 2.9Å; M169-G173 PolarHBondContact O-N 3.1Å; M169-L174 CarbonylContact C-O 3.43Å; M169-L174 HydrophobicContact CB-CB 4.08Å; M169-L174 HydrophobicContact CE-CB 4Å; M169-L174 HydrophobicContact CG-CB 4.43Å; M169-L174 PolarHBondContact O-N 3.3Å; M169-D175 VanDerWaalsContact CE-O 3.26Å; M169-D175 WeakPolarHBondContact CE-O 3.3Å; M169-L179 HydrophobicContact CE-CD1 4.27Å; M169-L179 HydrophobicContact CE-CG 4.25Å; M169-L179 HydrophobicContact SD-CD1 3.27Å; M169-L179 WeakPolarHBondContact SD-CD1 3.35Å; M169-L179 HydrophobicContact SD-CD2 4.2Å; M169-L179 HydrophobicContact SD-CG 3.71Å
170L80Confident75.3Confident122 Ų12271.4 Ų71.464%0.63940%0.399SS*.Hα-helixtrans-60.6-39.4176.9-169.569.2000111.7R166 N167 E172 G173R166-L170 WeakPolarHBondContact O-CB 3.46Å; R166-L170 PolarHBondContact O-N 3.36Å; N167-L170 PolarHBondContact O-N 3.06Å; L170-E172 VanDerWaalsContact C-N 3.27Å; L170-E172 PolarHBondContact O-N 2.61Å; L170-G173 PolarHBondContact O-N 3.28Å; L170-G173 VanDerWaalsContact O-N 3.16Å
171M76.6Confident74Confident165 Ų16572 Ų7281%0.81340%0.403SS*.Hα-helixtrans-65.7-27.6174.7-71.9176.471.800113.6N167 M169N167-M171 VanDerWaalsContact O-CG 3.26Å; N167-M171 WeakPolarHBondContact O-CG 3.43Å; N167-M171 PolarHBondContact O-N 2.99Å; N167-M171 VanDerWaalsContact O-N 3.08Å; M169-M171 VanDerWaalsContact C-N 3.28Å; M169-M171 PolarHBondContact O-N 3.07Å
172E78.4Confident72.5Confident89 Ų8973.2 Ų73.242%0.41641%0.41SS..THydrogen-bonded Turntrans-94.15.7176-70.6-175.8-166.200112.4Y152 K168 M169 L170 L174Y152-E172 PolarHBondContact OH-OE1 3.42Å; Y152-E172 VanDerWaalsContact OH-OE1 3.04Å; Y152-E172 PolarHBondContact OH-OE2 3.04Å; K168-E172 IonicContact NZ-OE1 3.11Å; K168-E172 PolarHBondContact NZ-OE1 3.21Å; K168-E172 PolarHBondContact O-N 2.83Å; M169-E172 CarbonylContact O-C 3.47Å; M169-E172 PolarHBondContact O-N 2.9Å; L170-E172 VanDerWaalsContact C-N 3.27Å; L170-E172 PolarHBondContact O-N 2.61Å; E172-L174 HydrophobicContact CB-CD1 4.23Å; E172-L174 VanDerWaalsContact O-CD1 3.27Å; E172-L174 WeakPolarHBondContact O-CD1 3.17Å
173G71.3Confident71.2Confident70 Ų7076.9 Ų76.972%0.72243%0.426SS*.THydrogen-bonded Turntrans7323.7178.800000114.3M169 L170M169-G173 PolarHBondContact O-N 3.1Å; L170-G173 PolarHBondContact O-N 3.28Å; L170-G173 VanDerWaalsContact O-N 3.16Å
174L72.1Confident69.9Low7 Ų773.5 Ų73.54%0.03741%0.414CS..  trans-101.7143.5178.5-87.771000111.3R148 Y149 Y152 M169 E172 P176R148-L174 HydrophobicContact CB-CD2 3.67Å; Y149-L174 HydrophobicContact CD1-CD2 4.16Å; Y149-L174 HydrophobicContact CD2-CD2 3.67Å; Y149-L174 HydrophobicContact CD2-CG 4.36Å; Y149-L174 HydrophobicContact CE1-CB 4.19Å; Y149-L174 HydrophobicContact CE1-CD2 4.05Å; Y149-L174 HydrophobicContact CE1-CG 4.31Å; Y149-L174 HydrophobicContact CE2-CB 4.42Å; Y149-L174 HydrophobicContact CE2-CD2 3.55Å; Y149-L174 HydrophobicContact CE2-CG 3.73Å; Y149-L174 HydrophobicContact CG-CD2 3.98Å; Y152-L174 HydrophobicContact CD2-CD2 4.24Å; Y152-L174 HydrophobicContact CE2-CD2 4.06Å; M169-L174 CarbonylContact C-O 3.43Å; M169-L174 HydrophobicContact CB-CB 4.08Å; M169-L174 HydrophobicContact CE-CB 4Å; M169-L174 HydrophobicContact CG-CB 4.43Å; M169-L174 PolarHBondContact O-N 3.3Å; E172-L174 HydrophobicContact CB-CD1 4.23Å; E172-L174 VanDerWaalsContact O-CD1 3.27Å; E172-L174 WeakPolarHBondContact O-CD1 3.17Å; L174-P176 WeakPolarHBondContact O-CD 3.08Å
175D72.4Confident68.3Low98 Ų9875.6 Ų75.652%0.52442%0.424SS..  trans-74.8116.5-177.1-78.5-41.5000111.8Y149 M169 N177 L178Y149-D175 PolarHBondContact OH-N 3.3Å; M169-D175 VanDerWaalsContact CE-O 3.26Å; M169-D175 WeakPolarHBondContact CE-O 3.3Å; D175-N177 PolarHBondContact O-N 2.76Å; D175-L178 PolarHBondContact O-N 2.78Å
176P65.8Low66.6Low28 Ų2878.2 Ų78.218%0.18244%0.439CS..G310 helixtrans-70.3-17.4-175.726.1-33.3000114R166 L174 L178R166-P176 HydrophobicContact CB-CB 3.93Å; R166-P176 HydrophobicContact CG-CB 3.63Å; L174-P176 WeakPolarHBondContact O-CD 3.08Å; P176-L178 PolarHBondContact O-N 2.94Å
177N63.5Low65.2Low124 Ų12479.3 Ų79.366%0.66346%0.457SS*.G310 helixtrans-74.5-11.4-179.5-70.6-41.8000113.6D175 L179 T181D175-N177 PolarHBondContact O-N 2.76Å; N177-L179 VanDerWaalsContact C-N 3.31Å; N177-T181 PolarHBondContact O-OG1 3.04Å
178L60.8Low63.6Low27 Ų2781.6 Ų81.614%0.14147%0.47CS..G310 helixtrans-84.4-1.9-179.9-121.153.5000113.9V143 Y149 D175 P176 A184V143-L178 HydrophobicContact CB-CD2 4.05Å; V143-L178 HydrophobicContact CB-CG 4.28Å; V143-L178 HydrophobicContact CG1-CB 4.2Å; V143-L178 HydrophobicContact CG1-CD2 3.57Å; V143-L178 HydrophobicContact CG1-CG 3.79Å; V143-L178 HydrophobicContact CG2-CD1 4.46Å; V143-L178 HydrophobicContact CG2-CD2 3.24Å; V143-L178 HydrophobicContact CG2-CG 3.66Å; Y149-L178 HydrophobicContact CD1-CB 4.21Å; Y149-L178 HydrophobicContact CD1-CD2 4.47Å; Y149-L178 HydrophobicContact CE1-CB 3.77Å; Y149-L178 HydrophobicContact CE1-CD2 3.85Å; Y149-L178 HydrophobicContact CE1-CG 4.47Å; D175-L178 PolarHBondContact O-N 2.78Å; P176-L178 PolarHBondContact O-N 2.94Å; L178-A184 HydrophobicContact CD1-CB 3.94Å
179L62.3Low61.5Low25 Ų2581.5 Ų81.513%0.13149%0.488CS..G310 helixtrans-80.3-31.9173.1-80.2159.9000113.2L153 V156 I165 R166 M169 N177L153-L179 HydrophobicContact CD1-CD2 4.07Å; V156-L179 HydrophobicContact CG2-CD2 3.7Å; I165-L179 HydrophobicContact CG2-CD1 3.78Å; I165-L179 HydrophobicContact CG2-CD2 4.22Å; R166-L179 HydrophobicContact CG-CD1 4.08Å; M169-L179 HydrophobicContact CE-CD1 4.27Å; M169-L179 HydrophobicContact CE-CG 4.25Å; M169-L179 HydrophobicContact SD-CD1 3.27Å; M169-L179 WeakPolarHBondContact SD-CD1 3.35Å; M169-L179 HydrophobicContact SD-CD2 4.2Å; M169-L179 HydrophobicContact SD-CG 3.71Å; N177-L179 VanDerWaalsContact C-N 3.31Å
180D62Low59.5Low125 Ų12586.7 Ų86.767%0.66853%0.531SS*.SBendtrans-92.4-4.9-174-69.4-32000112.6
181T56.4Low57.4Low69 Ų6985.2 Ų85.242%0.42354%0.536SS..  trans-134.191.8-179.149.50000110.7N177 D183N177-T181 PolarHBondContact O-OG1 3.04Å; T181-D183 PolarHBondContact O-N 3.11Å
182P53.3Low55.4Low109 Ų10983.1 Ų83.171%0.70854%0.538SS*.THydrogen-bonded Turntrans-70.81.2-174.427.7-34.7000115.5
183D50.4Low53.3Low148 Ų14882.3 Ų82.379%0.79155%0.554SS**THydrogen-bonded Turntrans-128.219.8-176.6-152.325.6000114.1T181T181-D183 PolarHBondContact O-N 3.11Å
184A51.2Low51.8Low29 Ų2985.4 Ų85.424%0.2456%0.559CS.*PPolyproline II helixtrans-84.1132.5174.300000111.4V143 L178V143-A184 VanDerWaalsContact CG2-O 3.23Å; V143-A184 WeakPolarHBondContact CG2-O 3Å; L178-A184 HydrophobicContact CD1-CB 3.94Å
185P47.8Very low50.1Low97 Ų9794.2 Ų94.263%0.6360%0.599SS**BIsolated β-bridgetrans-73.7142.4-179.728.7-32.4000112.3
186V48Very low48.6Very low55 Ų5597.1 Ų97.133%0.33362%0.615SS.*PPolyproline II helixtrans-69133.2178.3-175.30000109.6M141 V143 D188M141-V186 WeakPolarHBondContact O-CG2 3.42Å; V143-V186 HydrophobicContact CB-CG2 4.21Å; V143-V186 HydrophobicContact CG2-CB 4.45Å; V143-V186 HydrophobicContact CG2-CG2 3.4Å; V143-V186 VanDerWaalsContact CG2-CG2 3.4Å; V186-D188 PolarHBondContact O-N 2.97Å
187P53.3Low47.5Very low109 Ų109103.7 Ų103.771%0.70864%0.643SS**  trans-80.1113161.131.8-25.3000107.6
188D50Low46.3Very low150 Ų150106 Ų10680%0.80266%0.655SS**  trans-112129.9166.6-156.99.2000109.1V186V186-D188 PolarHBondContact O-N 2.97Å
189G37Very low45.9Very low66 Ų66111.5 Ų111.568%0.6868%0.684SS**  trans91.790.9158.700000119
190A36.4Very low45.3Very low108 Ų108115.7 Ų115.789%0.89371%0.712SS**  trans28.6122.5130.400000121
191A35.8Very low44.4Very low91 Ų91114.3 Ų114.375%0.75272%0.718SS**  trans-163.9120.2134.300000112.1
192S34.6Very low43.6Very low122 Ų122116.9 Ų116.985%0.85373%0.734SS**  trans38138.2140.161.50000120.5
193G34.4Very low43.4Very low72 Ų72116.8 Ų116.874%0.74274%0.736SS**  cis-179.2151.314.800000109.4
194T40.7Very low43.7Very low135 Ų135115.3 Ų115.383%0.82874%0.737SS**  trans-63.5126.2155.6-51.30000107.1
195E36.8Very low43.5Very low191 Ų191120.7 Ų120.789%0.89376%0.762SS**  trans179.6109.6142.4-95.1153.9-154.900108.9
196N40.7Very low43.5Very low159 Ų159121.1 Ų121.185%0.8577%0.767SS**  trans-77.5138.8172-79.5-36.7000109.9
197E41.2Very low43.9Very low167 Ų167126.4 Ų126.478%0.7879%0.788SS**  trans55109146.6-62.8-148.7114.200120.7
198D38.7Very low43.6Very low171 Ų171126.8 Ų126.891%0.91479%0.793SS**  trans-62.2120.7146.3-84.3-56.8000111.6
199I52.6Low44.6Very low144 Ų144125.1 Ų125.174%0.73879%0.793SS**  trans-140132.1146.9-38.7174.6000108.3
200P50.7Low45.2Very low113 Ų113131.2 Ų131.273%0.73480%0.802SS**  trans-100.1167.1-161.238.5-36.2000115.6
201A43.3Very low46.3Very low95 Ų95132 Ų13279%0.78580%0.8SS**  trans68.8143.7162.200000115
202T39.6Very low47.4Very low123 Ų123138.3 Ų138.376%0.75582%0.822SS**  cis-161.4158.636103.40000108.5
203S49.1Very low48Very low108 Ų108139.1 Ų139.176%0.75582%0.82SS**  trans-30.6142.7158.452.10000116.1
204S55.7Low48.7Very low117 Ų117142.6 Ų142.682%0.81882%0.824SS**  trans172.1136.4130.7-169.60000112.2
205D46.7Very low49.2Very low142 Ų142143.1 Ų143.176%0.75982%0.824SS**  trans-53.8155179.1-57.2-73.5000116.9
206S47.5Very low49.9Very low105 Ų105140.2 Ų140.273%0.73482%0.82SS**  152.3118.9117.6-66.40000115
207E58Low50.5Low167 Ų167139.1 Ų139.178%0.7882%0.818SS**  trans21.4132.2130.8-23.3-62.594.200121.4
208S46.1Very low51.1Low116 Ų116137.2 Ų137.281%0.81182%0.82SS**  trans144.3112.9142.252.90000110.4
209S70.4Confident52Low115 Ų115134.8 Ų134.880%0.80481%0.814SS**  56.190.260.6-157.90000114.1
210F49.9Very low51.9Low194 Ų194134.1 Ų134.185%0.85182%0.819SS**  trans-163.9121.9141.4-131.5-96000110
211S59.1Low52.1Low124 Ų124135.8 Ų135.887%0.86783%0.827SS**  trans-108126.2162.4-630000106.7
212D59.3Low52.8Low224 Ų224139.5 Ų139.5100%1.19883%0.83SS**  trans-124.90158.9-169.857000106.9

Retrieved 212 of 212 residues in 134.7 ms (Link to these results)

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