A0A077ZDQ5_TRITR Loading...

Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial

Iron-sulfur protein (IP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).

AlphaFold DB , UniProt , Accession A0A077ZDQ5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80.7Confident91.9Very high209 Ų209118.4 Ų118.4100%1.0364%0.641SS**  0135.90-90170.5-64.100106.7
2Q94.6Very high92Very high122 Ų122123.8 Ų123.857%0.5765%0.645SS**  trans-110.6138.7178.6-178.6-179.1-7.100107.8Y4 D27Q2-Y4 HydrophobicContact CB-CE2 4.03Å; Q2-Y4 VanDerWaalsContact CD-CE2 3.4Å; Q2-Y4 VanDerWaalsContact CD-CZ 3.41Å; Q2-Y4 VanDerWaalsContact CD-OH 3.23Å; Q2-Y4 HydrophobicContact CG-CD2 4.17Å; Q2-Y4 HydrophobicContact CG-CE2 3.59Å; Q2-Y4 PolarHBondContact NE2-OH 3.43Å; Q2-Y4 PolarHBondContact OE1-OH 3.49Å; Q2-D27 PolarHBondContact NE2-OD2 3.37Å
3D97.6Very high92.4Very high107 Ų107120.9 Ų120.957%0.57263%0.632SS**  trans-94.7142.6176.5-77.3-5.5000110.1K69D3-K69 VanDerWaalsContact CG-NZ 3.32Å; D3-K69 IonicContact OD1-NZ 3.74Å; D3-K69 WeakPolarHBondContact OD2-CE 3.38Å; D3-K69 IonicContact OD2-NZ 2.69Å; D3-K69 PolarHBondContact OD2-NZ 3.02Å
4Y97.5Very high92.7Very high75 Ų75113.9 Ų113.929%0.29460%0.595SS.*  trans-132.6149.5175.9-72.8-95.4000109.9Q2 L23 D27Q2-Y4 HydrophobicContact CB-CE2 4.03Å; Q2-Y4 VanDerWaalsContact CD-CE2 3.4Å; Q2-Y4 VanDerWaalsContact CD-CZ 3.41Å; Q2-Y4 VanDerWaalsContact CD-OH 3.23Å; Q2-Y4 HydrophobicContact CG-CD2 4.17Å; Q2-Y4 HydrophobicContact CG-CE2 3.59Å; Q2-Y4 PolarHBondContact NE2-OH 3.43Å; Q2-Y4 PolarHBondContact OE1-OH 3.49Å; Y4-L23 HydrophobicContact CD1-CD1 4.45Å; Y4-L23 HydrophobicContact CD1-CD2 3.97Å; Y4-L23 HydrophobicContact CG-CD1 4.22Å; Y4-L23 HydrophobicContact CG-CD2 4.25Å; Y4-D27 HydrophobicContact CE1-CB 3.76Å; Y4-D27 PolarHBondContact OH-OD2 3.09Å
5T96.8Very high93.1Very high106 Ų106110.9 Ų110.965%0.6558%0.578SS**  trans-125.3131.4172.8-58.50000109.7K26T5-K26 PolarHBondContact O-NZ 3.17Å
6L95.5Very high93.5Very high42 Ų42104.2 Ų104.222%0.2254%0.542CS..  trans-127.1122.5174.9-173.765.6000108.6M14 A19 Q22 L23L6-M14 HydrophobicContact CD2-CE 4.21Å; L6-M14 HydrophobicContact CD2-SD 4.43Å; L6-A19 HydrophobicContact CD2-CB 3.76Å; L6-Q22 HydrophobicContact CD1-CB 3.82Å; L6-Q22 HydrophobicContact CD2-CB 4.12Å; L6-L23 HydrophobicContact CB-CD2 4Å; L6-L23 HydrophobicContact CD1-CD2 4.42Å
7E93.4Very high93.8Very high153 Ų15398.2 Ų98.272%0.71551%0.511SS*.  trans-73.8125.1167.4-62-56.2138.800107.8
8A91.1Very high94.1Very high60 Ų6096.4 Ų96.450%0.49650%0.503SS..  trans-111.3142.9179.600000109.7E10 M14A8-E10 PolarHBondContact O-N 3.31Å; A8-M14 HydrophobicContact CB-CE 3.42Å; A8-M14 VanDerWaalsContact CB-CE 3.42Å
9E88.2Confident94.3Very high140 Ų14091.8 Ų91.865%0.65448%0.48SS*.  trans-67.9123.9175.8-169.1176.1-16200110.3G11 R12E9-G11 PolarHBondContact O-N 3.47Å; E9-R12 PolarHBondContact O-N 3.09Å
10E86.7Confident94.5Very high198 Ų19887.5 Ų87.593%0.92546%0.457SS*.THydrogen-bonded Turntrans-67.5132.6179.8-146.6172.5-159.500109.9A8A8-E10 PolarHBondContact O-N 3.31Å
11G88.6Confident94.7Very high90 Ų9086.4 Ų86.493%0.92845%0.452SS*.THydrogen-bonded Turntrans92.3-3.1-178.100000116E9E9-G11 PolarHBondContact O-N 3.47Å
12R93.8Very high95.5Very high183 Ų18379.7 Ų79.769%0.69142%0.417SS*.  trans-120.3119.6172.5-173.6178177.9-173.2-1.8111.4E9E9-R12 PolarHBondContact O-N 3.09Å
13D96.2Very high95.7Very high87 Ų8774.9 Ų74.947%0.46540%0.396SS..  trans-90.6112.8175.6-167.321.1000110.2P59 I60 S61D13-P59 WeakPolarHBondContact OD2-CB 3.46Å; D13-I60 PolarHBondContact OD1-N 3.07Å; D13-S61 WeakPolarHBondContact OD1-CB 3.21Å; D13-S61 PolarHBondContact OD1-N 3.36Å; D13-S61 WeakPolarHBondContact OD2-CB 3.45Å; D13-S61 PolarHBondContact OD2-OG 3.18Å
14M97.6Very high95.8Very high23 Ų2373.5 Ų73.511%0.11338%0.384CS..  trans-94.3163.2178.373.4179.111600111.3L6 A8 D18 A19 I60L6-M14 HydrophobicContact CD2-CE 4.21Å; L6-M14 HydrophobicContact CD2-SD 4.43Å; A8-M14 HydrophobicContact CB-CE 3.42Å; A8-M14 VanDerWaalsContact CB-CE 3.42Å; M14-D18 HydrophobicContact CB-CB 3.97Å; M14-D18 HydrophobicContact CG-CB 4.27Å; M14-D18 HydrophobicContact SD-CB 4.14Å; M14-A19 HydrophobicContact SD-CB 4.08Å; M14-I60 HydrophobicContact CG-CB 4.41Å; M14-I60 HydrophobicContact CG-CG1 3.62Å; M14-I60 WeakPolarHBondContact O-CG1 3.3Å; M14-I60 PolarHBondContact O-N 3.46Å
15M98.5Very high95.8Very high69 Ų6976.9 Ų76.934%0.3440%0.403SS..BIsolated β-bridgetrans-81.2157.3171.9-58.8-64.2177.400110.4L17 D18 A19 C56 P59M15-L17 PolarHBondContact O-N 3.22Å; M15-D18 WeakPolarHBondContact CB-OD2 3.5Å; M15-D18 PolarHBondContact N-OD2 3.01Å; M15-D18 WeakPolarHBondContact O-CB 3.22Å; M15-D18 PolarHBondContact O-N 2.54Å; M15-A19 PolarHBondContact O-N 3.48Å; M15-C56 VanDerWaalsContact CG-O 3.31Å; M15-C56 WeakPolarHBondContact CG-O 3.4Å; M15-P59 HydrophobicContact SD-CB 4.45Å; M15-P59 HydrophobicContact SD-CG 4.12Å
16L98.8Very high95.8Very high3 Ų377.9 Ų77.92%0.01640%0.398CS..Hα-helixtrans-57.2-35.2175.4-18067.7000112.1D18 A19 L20 L46 M48 A55 T58 I60 L63 I72L16-D18 VanDerWaalsContact C-N 3.28Å; L16-D18 PolarHBondContact O-N 2.87Å; L16-A19 PolarHBondContact O-N 2.86Å; L16-L20 HydrophobicContact CG-CD1 4.3Å; L16-L20 HydrophobicContact CG-CG 4.44Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.42Å; L16-L46 HydrophobicContact CD2-CD1 4.44Å; L16-M48 HydrophobicContact CD2-CB 4.47Å; L16-M48 HydrophobicContact CD2-CG 3.49Å; L16-M48 VanDerWaalsContact CD2-CG 3.49Å; L16-M48 HydrophobicContact CD2-SD 3.22Å; L16-M48 WeakPolarHBondContact CD2-SD 3.32Å; L16-A55 HydrophobicContact CB-CB 4.2Å; L16-A55 HydrophobicContact CD2-CB 4.03Å; L16-A55 HydrophobicContact CG-CB 4.2Å; L16-A55 PolarHBondContact N-O 3.05Å; L16-T58 PolarHBondContact N-O 2.93Å; L16-I60 HydrophobicContact CB-CD1 4.46Å; L16-I60 HydrophobicContact CD1-CD1 3.93Å; L16-L63 HydrophobicContact CB-CD1 4.14Å; L16-L63 HydrophobicContact CD1-CD1 4.02Å; L16-L63 HydrophobicContact CD2-CD1 3.94Å; L16-L63 HydrophobicContact CG-CD1 4.24Å; L16-I72 HydrophobicContact CD1-CD1 3.36Å; L16-I72 HydrophobicContact CD1-CG1 4.27Å; L16-I72 HydrophobicContact CD2-CD1 3.93Å; L16-I72 HydrophobicContact CD2-CG1 4.29Å; L16-I72 HydrophobicContact CG-CD1 4.07Å
17L98.8Very high95.9Very high3 Ų377.6 Ų77.62%0.01640%0.397CS..Hα-helixtrans-61.5-37.3176-178.860000112.3M15 A19 L20 I21 F32 R34 R37 A55 C56M15-L17 PolarHBondContact O-N 3.22Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 3.31Å; L17-L20 PolarHBondContact O-N 3.25Å; L17-I21 HydrophobicContact CD1-CD1 4.27Å; L17-I21 HydrophobicContact CD1-CG1 4.34Å; L17-I21 HydrophobicContact CG-CD1 4.05Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 2.98Å; L17-F32 HydrophobicContact CD1-CD2 4.27Å; L17-F32 HydrophobicContact CD1-CE2 3.85Å; L17-R34 HydrophobicContact CD1-CB 3.64Å; L17-R34 HydrophobicContact CD1-CG 4.05Å; L17-R34 HydrophobicContact CD2-CB 4.02Å; L17-R34 HydrophobicContact CD2-CG 4.4Å; L17-R34 HydrophobicContact CG-CB 4.5Å; L17-R37 HydrophobicContact CD2-CB 3.77Å; L17-A55 HydrophobicContact CB-CB 4.03Å; L17-A55 PolarHBondContact N-O 3.06Å; L17-A55 VanDerWaalsContact N-O 3.07Å; L17-C56 HydrophobicContact CB-CB 4.17Å; L17-C56 HydrophobicContact CD2-CB 3.65Å
18D98.5Very high96.2Very high66 Ų6674.9 Ų74.935%0.35339%0.393SS..Hα-helixtrans-63-43.3177.1-57.8-42.7000110.3M14 M15 L16 I21 Q22M14-D18 HydrophobicContact CB-CB 3.97Å; M14-D18 HydrophobicContact CG-CB 4.27Å; M14-D18 HydrophobicContact SD-CB 4.14Å; M15-D18 WeakPolarHBondContact CB-OD2 3.5Å; M15-D18 PolarHBondContact N-OD2 3.01Å; M15-D18 WeakPolarHBondContact O-CB 3.22Å; M15-D18 PolarHBondContact O-N 2.54Å; L16-D18 VanDerWaalsContact C-N 3.28Å; L16-D18 PolarHBondContact O-N 2.87Å; D18-I21 PolarHBondContact O-N 3.41Å; D18-Q22 WeakPolarHBondContact O-CG 3.31Å; D18-Q22 PolarHBondContact O-N 3Å; D18-Q22 VanDerWaalsContact O-N 3.09Å
19A98.5Very high96.5Very high9 Ų975 Ų757%0.07439%0.39CS..Hα-helixtrans-63.2-43.4175.600000112.1L6 M14 M15 L16 L17 I21 Q22 L23 I60L6-A19 HydrophobicContact CD2-CB 3.76Å; M14-A19 HydrophobicContact SD-CB 4.08Å; M15-A19 PolarHBondContact O-N 3.48Å; L16-A19 PolarHBondContact O-N 2.86Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 3.31Å; A19-I21 VanDerWaalsContact C-N 3.32Å; A19-I21 PolarHBondContact O-N 3.2Å; A19-Q22 PolarHBondContact O-N 3.42Å; A19-L23 WeakPolarHBondContact O-CB 3.35Å; A19-L23 VanDerWaalsContact O-CG 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.33Å; A19-L23 PolarHBondContact O-N 2.85Å; A19-I60 HydrophobicContact CB-CD1 3.94Å; A19-I60 HydrophobicContact CB-CG1 4.49Å
20L98.7Very high97Very high5 Ų569.2 Ų69.23%0.02636%0.363CS..Hα-helixtrans-62.6-37.6177.4-74.4172.4000112.6L16 L17 K24 L30 F32 L46 A55 I72 L84L16-L20 HydrophobicContact CG-CD1 4.3Å; L16-L20 HydrophobicContact CG-CG 4.44Å; L16-L20 WeakPolarHBondContact O-CG 3.43Å; L16-L20 PolarHBondContact O-N 3.42Å; L17-L20 PolarHBondContact O-N 3.25Å; L20-K24 WeakPolarHBondContact O-CB 3.44Å; L20-K24 PolarHBondContact O-N 3.5Å; L20-L30 HydrophobicContact CD2-CD2 4.38Å; L20-F32 HydrophobicContact CB-CD1 4.35Å; L20-F32 HydrophobicContact CB-CE1 3.87Å; L20-F32 HydrophobicContact CB-CE2 4.08Å; L20-F32 HydrophobicContact CB-CZ 3.73Å; L20-F32 WeakPolarHBondContact O-CE1 3.37Å; L20-F32 WeakPolarHBondContact O-CZ 3.48Å; L20-L46 HydrophobicContact CD1-CD1 3.71Å; L20-A55 HydrophobicContact CD1-CB 4.17Å; L20-I72 HydrophobicContact CD2-CD1 3.94Å; L20-I72 HydrophobicContact CG-CD1 4.45Å; L20-L84 HydrophobicContact CD2-CD1 4.21Å
21I98.6Very high97.6Very high65 Ų6560.6 Ų60.633%0.33333%0.325SS..Hα-helixtrans-64.6-48.5175.5-70168.2000110.2L17 D18 A19 L23 K24 E25 F32L17-I21 HydrophobicContact CD1-CD1 4.27Å; L17-I21 HydrophobicContact CD1-CG1 4.34Å; L17-I21 HydrophobicContact CG-CD1 4.05Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 2.98Å; D18-I21 PolarHBondContact O-N 3.41Å; A19-I21 VanDerWaalsContact C-N 3.32Å; A19-I21 PolarHBondContact O-N 3.2Å; I21-L23 PolarHBondContact O-N 3.45Å; I21-K24 WeakPolarHBondContact O-CB 3.44Å; I21-K24 PolarHBondContact O-N 3.22Å; I21-K24 VanDerWaalsContact O-N 3.09Å; I21-E25 PolarHBondContact O-N 3.36Å; I21-E25 VanDerWaalsContact O-N 3.07Å; I21-F32 HydrophobicContact CG1-CE2 4.33Å; I21-F32 HydrophobicContact CG1-CZ 4.22Å
22Q98.3Very high98.1Very high67 Ų6757.6 Ų57.631%0.31329%0.286SS..Hα-helixtrans-64.5-37.4177.8-69178.151.400112.7L6 D18 A19 K24 E25 K26L6-Q22 HydrophobicContact CD1-CB 3.82Å; L6-Q22 HydrophobicContact CD2-CB 4.12Å; D18-Q22 WeakPolarHBondContact O-CG 3.31Å; D18-Q22 PolarHBondContact O-N 3Å; D18-Q22 VanDerWaalsContact O-N 3.09Å; A19-Q22 PolarHBondContact O-N 3.42Å; Q22-K24 VanDerWaalsContact C-N 3.26Å; Q22-K24 PolarHBondContact O-N 3.31Å; Q22-E25 WeakPolarHBondContact O-CB 3.42Å; Q22-E25 PolarHBondContact O-N 2.73Å; Q22-K26 PolarHBondContact O-N 2.75Å
23L98.3Very high98.3Very high22 Ų2253.7 Ų53.712%0.11527%0.272CS..Hα-helixtrans-62.4-36.8172.9-73.6-178.3000111.6Y4 L6 A19 I21 E25 K26 D27 L30Y4-L23 HydrophobicContact CD1-CD1 4.45Å; Y4-L23 HydrophobicContact CD1-CD2 3.97Å; Y4-L23 HydrophobicContact CG-CD1 4.22Å; Y4-L23 HydrophobicContact CG-CD2 4.25Å; L6-L23 HydrophobicContact CB-CD2 4Å; L6-L23 HydrophobicContact CD1-CD2 4.42Å; A19-L23 WeakPolarHBondContact O-CB 3.35Å; A19-L23 VanDerWaalsContact O-CG 3.29Å; A19-L23 WeakPolarHBondContact O-CG 3.33Å; A19-L23 PolarHBondContact O-N 2.85Å; I21-L23 PolarHBondContact O-N 3.45Å; L23-E25 VanDerWaalsContact C-N 3.33Å; L23-K26 PolarHBondContact O-N 3Å; L23-D27 PolarHBondContact O-N 3.42Å; L23-L30 HydrophobicContact CB-CD2 4.1Å
24K98.5Very high98.4Very high77 Ų7756 Ų5634%0.33527%0.274SS..Hα-helixtrans-69.7-28.3175.9-172.1174.8177.859.40113.2L20 I21 Q22 K26 D27 P28 L30 F32L20-K24 WeakPolarHBondContact O-CB 3.44Å; L20-K24 PolarHBondContact O-N 3.5Å; I21-K24 WeakPolarHBondContact O-CB 3.44Å; I21-K24 PolarHBondContact O-N 3.22Å; I21-K24 VanDerWaalsContact O-N 3.09Å; Q22-K24 VanDerWaalsContact C-N 3.26Å; Q22-K24 PolarHBondContact O-N 3.31Å; K24-K26 PolarHBondContact O-N 2.93Å; K24-D27 WeakPolarHBondContact CA-O 3.29Å; K24-D27 CarbonylContact O-C 3.11Å; K24-P28 PolarHBondContact NZ-O 3.03Å; K24-P28 VanDerWaalsContact O-CA 3.32Å; K24-P28 WeakPolarHBondContact O-CA 3.45Å; K24-L30 WeakPolarHBondContact CD-O 3.46Å; K24-L30 PolarHBondContact NZ-O 2.81Å; K24-F32 HydrophobicContact CB-CE1 4.13Å; K24-F32 HydrophobicContact CB-CZ 4.43Å; K24-F32 HydrophobicContact CD-CE1 4.07Å; K24-F32 HydrophobicContact CD-CZ 4.28Å
25E97.9Very high98.5Very high146 Ų14658.9 Ų58.968%0.68230%0.296SS*.Hα-helixtrans-63.6-33.9170.9-66.6170.6178.600111.3I21 Q22 L23I21-E25 PolarHBondContact O-N 3.36Å; I21-E25 VanDerWaalsContact O-N 3.07Å; Q22-E25 WeakPolarHBondContact O-CB 3.42Å; Q22-E25 PolarHBondContact O-N 2.73Å; L23-E25 VanDerWaalsContact C-N 3.33Å
26K97.4Very high98.5Very high128 Ų12857 Ų5756%0.55729%0.289SS*.Hα-helixtrans-81.9-39.1175.4-61-176.8-176.5-1770113.2T5 Q22 L23 K24T5-K26 PolarHBondContact O-NZ 3.17Å; Q22-K26 PolarHBondContact O-N 2.75Å; L23-K26 PolarHBondContact O-N 3Å; K24-K26 PolarHBondContact O-N 2.93Å
27D98.1Very high98.5Very high35 Ų3566.1 Ų66.119%0.18732%0.324CS..  trans-123.592.4174.8-174.4-11.6000110.5Q2 Y4 L23 K24 S29 L30Q2-D27 PolarHBondContact NE2-OD2 3.37Å; Y4-D27 HydrophobicContact CE1-CB 3.76Å; Y4-D27 PolarHBondContact OH-OD2 3.09Å; L23-D27 PolarHBondContact O-N 3.42Å; K24-D27 WeakPolarHBondContact CA-O 3.29Å; K24-D27 CarbonylContact O-C 3.11Å; D27-S29 PolarHBondContact O-N 3.28Å; D27-S29 VanDerWaalsContact OD1-CB 3.22Å; D27-S29 WeakPolarHBondContact OD1-CB 3.38Å; D27-S29 PolarHBondContact OD1-N 3.31Å; D27-S29 PolarHBondContact OD1-OG 3.11Å; D27-S29 PolarHBondContact OD2-OG 3.16Å; D27-L30 PolarHBondContact O-N 2.61Å; D27-L30 VanDerWaalsContact O-N 3.17Å
28P98.3Very high98.5Very high97 Ų9772.3 Ų72.363%0.6335%0.353SS*.THydrogen-bonded Turntrans-60.7-15179.8-26.636.2000114.4K24K24-P28 PolarHBondContact NZ-O 3.03Å; K24-P28 VanDerWaalsContact O-CA 3.32Å; K24-P28 WeakPolarHBondContact O-CA 3.45Å
29S98.4Very high98.5Very high61 Ų6169.3 Ų69.343%0.42734%0.337SS..THydrogen-bonded Turntrans-76.1-22179.581.50000113.4D27 S31 R82D27-S29 PolarHBondContact O-N 3.28Å; D27-S29 VanDerWaalsContact OD1-CB 3.22Å; D27-S29 WeakPolarHBondContact OD1-CB 3.38Å; D27-S29 PolarHBondContact OD1-N 3.31Å; D27-S29 PolarHBondContact OD1-OG 3.11Å; D27-S29 PolarHBondContact OD2-OG 3.16Å; S29-S31 PolarHBondContact O-N 3.41Å; S29-S31 PolarHBondContact O-OG 2.84Å; S29-R82 PolarHBondContact O-NH2 3.27Å
30L98.6Very high98.5Very high19 Ų1972.6 Ų72.610%0.09936%0.356CS..  trans-64120.8-177.2-179.862.3000112L20 L23 K24 D27 F32L20-L30 HydrophobicContact CD2-CD2 4.38Å; L23-L30 HydrophobicContact CB-CD2 4.1Å; K24-L30 WeakPolarHBondContact CD-O 3.46Å; K24-L30 PolarHBondContact NZ-O 2.81Å; D27-L30 PolarHBondContact O-N 2.61Å; D27-L30 VanDerWaalsContact O-N 3.17Å; L30-F32 HydrophobicContact CD2-CD1 4.43Å; L30-F32 HydrophobicContact CD2-CE1 4.24Å; L30-F32 HydrophobicContact CG-CD1 4.13Å; L30-F32 HydrophobicContact CG-CE1 4.25Å
31S98.8Very high98.5Very high18 Ų1874.7 Ų74.713%0.12637%0.371CS..  trans-112.9132.8-178.7-51.60000113.5S29 R82 D83 L84S29-S31 PolarHBondContact O-N 3.41Å; S29-S31 PolarHBondContact O-OG 2.84Å; S31-R82 PolarHBondContact OG-NE 2.8Å; S31-R82 PolarHBondContact OG-NH1 2.95Å; S31-R82 PolarHBondContact OG-NH2 2.99Å; S31-D83 WeakPolarHBondContact CA-OD2 3.39Å; S31-D83 WeakPolarHBondContact CB-OD2 3.22Å; S31-D83 PolarHBondContact N-OD2 3.4Å; S31-D83 VanDerWaalsContact O-CB 3.24Å; S31-D83 WeakPolarHBondContact O-CB 3.43Å; S31-D83 PolarHBondContact OG-OD2 3.45Å; S31-D83 VanDerWaalsContact OG-OD2 3.06Å; S31-L84 PolarHBondContact O-N 3.35Å
32F98.9Very high98.5Very high27 Ų2772.1 Ų72.112%0.11836%0.36CS..  trans-153.5157.4173.251.8-89000109.1L17 L20 I21 K24 L30 R34 L84L17-F32 HydrophobicContact CD1-CD2 4.27Å; L17-F32 HydrophobicContact CD1-CE2 3.85Å; L20-F32 HydrophobicContact CB-CD1 4.35Å; L20-F32 HydrophobicContact CB-CE1 3.87Å; L20-F32 HydrophobicContact CB-CE2 4.08Å; L20-F32 HydrophobicContact CB-CZ 3.73Å; L20-F32 WeakPolarHBondContact O-CE1 3.37Å; L20-F32 WeakPolarHBondContact O-CZ 3.48Å; I21-F32 HydrophobicContact CG1-CE2 4.33Å; I21-F32 HydrophobicContact CG1-CZ 4.22Å; K24-F32 HydrophobicContact CB-CE1 4.13Å; K24-F32 HydrophobicContact CB-CZ 4.43Å; K24-F32 HydrophobicContact CD-CE1 4.07Å; K24-F32 HydrophobicContact CD-CZ 4.28Å; L30-F32 HydrophobicContact CD2-CD1 4.43Å; L30-F32 HydrophobicContact CD2-CE1 4.24Å; L30-F32 HydrophobicContact CG-CD1 4.13Å; L30-F32 HydrophobicContact CG-CE1 4.25Å; F32-R34 HydrophobicContact CE2-CG 4.47Å; F32-L84 HydrophobicContact CB-CB 4.1Å; F32-L84 HydrophobicContact CB-CD1 4.24Å
33R98.9Very high98.5Very high101 Ų10171 Ų7138%0.38136%0.36SS..  trans-88.6143.4173-68.3-168.5-177.3101.6-1.7109.9S43 D44 V85 V86R33-S43 VanDerWaalsContact CB-O 3.26Å; R33-S43 WeakPolarHBondContact CB-O 3.14Å; R33-D44 WeakPolarHBondContact O-CA 3.49Å; R33-D44 WeakPolarHBondContact O-CB 3.22Å; R33-V85 HydrophobicContact CG-CG1 4.25Å; R33-V85 HydrophobicContact CG-CG2 4.43Å; R33-V85 VanDerWaalsContact NH1-CG1 3.32Å; R33-V85 VanDerWaalsContact NH2-CG1 3.28Å; R33-V86 PolarHBondContact NH1-O 3.27Å; R33-V86 PolarHBondContact NH2-O 3.27Å
34R98.8Very high98.5Very high136 Ų13670.2 Ų70.251%0.51336%0.355SS..  trans-161.1155.7170.485.7-62.7170.4-94.21.6109.8L17 F32 D44L17-R34 HydrophobicContact CD1-CB 3.64Å; L17-R34 HydrophobicContact CD1-CG 4.05Å; L17-R34 HydrophobicContact CD2-CB 4.02Å; L17-R34 HydrophobicContact CD2-CG 4.4Å; L17-R34 HydrophobicContact CG-CB 4.5Å; F32-R34 HydrophobicContact CE2-CG 4.47Å; R34-D44 HydrophobicContact CB-CB 4.41Å
35S98.7Very high98.6Very high82 Ų8267.1 Ų67.157%0.57335%0.345SS*.SBendtrans-150.5-81.9171.5-174.30000112.4R37S35-R37 VanDerWaalsContact C-N 3.3Å; S35-R37 PolarHBondContact O-N 3.49Å
36C98.6Very high98.6Very high30 Ų3060.4 Ų60.420%0.20331%0.314CS..SBendtrans-68.4-21-169.7730000115.7E38 V40 C41C36-E38 HydrophobicContact CB-CG 4Å; C36-E38 WeakPolarHBondContact O-CG 3.31Å; C36-E38 PolarHBondContact O-N 3.38Å; C36-E38 PolarHBondContact SG-N 3.14Å; C36-V40 PolarHBondContact SG-N 3.49Å; C36-V40 VanDerWaalsContact SG-N 3.41Å; C36-C41 HydrophobicContact CB-CB 3.9Å; C36-C41 PolarHBondContact N-SG 3.35Å; C36-C41 PolarHBondContact SG-N 3.41Å; C36-C41 PolarHBondContact SG-SG 3.41Å
37R98.3Very high98.7Very high195 Ų19555.1 Ų55.174%0.73629%0.292SS*.SBendtrans50.722.3-176.161.3170.6177.8157.93.1116.4L17 S35 C56L17-R37 HydrophobicContact CD2-CB 3.77Å; S35-R37 VanDerWaalsContact C-N 3.3Å; S35-R37 PolarHBondContact O-N 3.49Å; R37-C56 HydrophobicContact CB-CB 4.42Å
38E98.7Very high98.7Very high133 Ų13354 Ų5462%0.62129%0.285SS*.SBendtrans-136.418.2-177.565.6-173.2176.300113.2C36 V40C36-E38 HydrophobicContact CB-CG 4Å; C36-E38 WeakPolarHBondContact O-CG 3.31Å; C36-E38 PolarHBondContact O-N 3.38Å; C36-E38 PolarHBondContact SG-N 3.14Å; E38-V40 HydrophobicContact CG-CB 4.3Å; E38-V40 HydrophobicContact CG-CG2 3.93Å; E38-V40 PolarHBondContact O-N 3.06Å
39G98.6Very high98.7Very high2 Ų252.1 Ų52.12%0.02127%0.27CS..SBendtrans71.829.5174.800000115.2C56 K199G39-C56 PolarHBondContact N-SG 3.28Å; G39-C56 VanDerWaalsContact N-SG 3.41Å; G39-K199 WeakPolarHBondContact O-CD 3.3Å; G39-K199 PolarHBondContact O-NZ 2.84Å
40V98.8Very high98.7Very high79 Ų7951.9 Ų51.948%0.47928%0.278SS..SBendtrans-114-42.3-178.4177.70000113.2C36 E38 I131C36-V40 PolarHBondContact SG-N 3.49Å; C36-V40 VanDerWaalsContact SG-N 3.41Å; E38-V40 HydrophobicContact CG-CB 4.3Å; E38-V40 HydrophobicContact CG-CG2 3.93Å; E38-V40 PolarHBondContact O-N 3.06Å; V40-I131 VanDerWaalsContact O-CB 3.3Å; V40-I131 WeakPolarHBondContact O-CB 3.49Å; V40-I131 WeakPolarHBondContact O-CG2 3.42Å
41C98.6Very high98.7Very high49 Ų4956.8 Ų56.833%0.33130%0.298SS..SBendtrans-81.7-16.1-173.373.30000115.7C36 S43C36-C41 HydrophobicContact CB-CB 3.9Å; C36-C41 PolarHBondContact N-SG 3.35Å; C36-C41 PolarHBondContact SG-N 3.41Å; C36-C41 PolarHBondContact SG-SG 3.41Å; C41-S43 VanDerWaalsContact C-N 3.31Å; C41-S43 PolarHBondContact O-N 3.23Å; C41-S43 PolarHBondContact SG-N 3.3Å; C41-S43 PolarHBondContact SG-OG 2.73Å
42G98.7Very high98.7Very high10 Ų1056.3 Ų56.310%0.10329%0.294CS..  trans70.114.1-178.800000117.1
43S98.8Very high98.7Very high45 Ų4555.5 Ų55.532%0.31529%0.293SS..THydrogen-bonded Turntrans-69.8-36.1-174.4-69.40000115.1R33 C41R33-S43 VanDerWaalsContact CB-O 3.26Å; R33-S43 WeakPolarHBondContact CB-O 3.14Å; C41-S43 VanDerWaalsContact C-N 3.31Å; C41-S43 PolarHBondContact O-N 3.23Å; C41-S43 PolarHBondContact SG-N 3.3Å; C41-S43 PolarHBondContact SG-OG 2.73Å
44D98.9Very high98.7Very high5 Ų550.8 Ų50.83%0.02728%0.275CS..THydrogen-bonded Turntrans-108.840.1-164.362-35.8000112.6R33 R34 L46 A55 C56R33-D44 WeakPolarHBondContact O-CA 3.49Å; R33-D44 WeakPolarHBondContact O-CB 3.22Å; R34-D44 HydrophobicContact CB-CB 4.41Å; D44-L46 PolarHBondContact O-N 3.07Å; D44-A55 HydrophobicContact CB-CB 4.32Å; D44-A55 PolarHBondContact O-N 3.35Å; D44-A55 VanDerWaalsContact O-N 3.13Å; D44-A55 PolarHBondContact OD2-N 3.24Å; D44-C56 PolarHBondContact OD1-SG 2.7Å; D44-C56 VanDerWaalsContact OD1-SG 3.38Å; D44-C56 WeakPolarHBondContact OD2-CA 3.49Å; D44-C56 WeakPolarHBondContact OD2-CB 3.43Å; D44-C56 PolarHBondContact OD2-N 3.28Å; D44-C56 PolarHBondContact OD2-SG 2.84Å
45G98.9Very high98.8Very high11 Ų1144.3 Ų44.311%0.11325%0.251CS..EExtended strand (participates in β ladder)trans-65.2121.7170.700000111.1G53 L75G45-G53 WeakPolarHBondContact CA-O 3.44Å; G45-L75 WeakPolarHBondContact O-CG 3.49Å
46L98.9Very high98.8Very high6 Ų640.6 Ų40.63%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-136.6159.4-178.8-64.8177.6000111.1L16 L20 D44 M48 N52 G53 A55 I72 L84L16-L46 HydrophobicContact CD2-CD1 4.44Å; L20-L46 HydrophobicContact CD1-CD1 3.71Å; D44-L46 PolarHBondContact O-N 3.07Å; L46-M48 HydrophobicContact CB-CG 4Å; L46-M48 HydrophobicContact CB-SD 4.5Å; L46-N52 VanDerWaalsContact O-CA 3.29Å; L46-N52 WeakPolarHBondContact O-CA 3.11Å; L46-G53 PolarHBondContact N-O 3.25Å; L46-G53 PolarHBondContact O-N 2.86Å; L46-A55 HydrophobicContact CD1-CB 3.97Å; L46-I72 HydrophobicContact CB-CG2 4.46Å; L46-I72 HydrophobicContact CD1-CG2 3.76Å; L46-L84 HydrophobicContact CD1-CD1 4.23Å; L46-L84 HydrophobicContact CD2-CB 3.8Å; L46-L84 HydrophobicContact CD2-CD1 4.13Å; L46-L84 HydrophobicContact CD2-CD2 4.46Å; L46-L84 HydrophobicContact CD2-CG 4.36Å
47N98.9Very high98.8Very high17 Ų1742.4 Ų42.49%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-93.4111.1165-171.1-90.2000108.8G50 N52 R73N47-G50 VanDerWaalsContact ND2-C 3.28Å; N47-G50 PolarHBondContact ND2-O 3.28Å; N47-G50 WeakPolarHBondContact OD1-CA 3.47Å; N47-G50 PolarHBondContact OD1-N 3.22Å; N47-N52 PolarHBondContact ND2-OD1 2.99Å; N47-R73 HydrophobicContact CB-CB 4.21Å; N47-R73 PolarHBondContact N-O 3.07Å; N47-R73 PolarHBondContact O-N 3.28Å
48M98.9Very high98.8Very high10 Ų1034.2 Ų34.25%0.04920%0.204CC..EExtended strand (participates in β ladder)trans-117.2116.6-172.9-57.7165.7-71.200108.5L16 L46 G50 K51 T58 L63L16-M48 HydrophobicContact CD2-CB 4.47Å; L16-M48 HydrophobicContact CD2-CG 3.49Å; L16-M48 VanDerWaalsContact CD2-CG 3.49Å; L16-M48 HydrophobicContact CD2-SD 3.22Å; L16-M48 WeakPolarHBondContact CD2-SD 3.32Å; L46-M48 HydrophobicContact CB-CG 4Å; L46-M48 HydrophobicContact CB-SD 4.5Å; M48-G50 PolarHBondContact O-N 3.32Å; M48-K51 PolarHBondContact N-O 3.48Å; M48-K51 PolarHBondContact O-N 3.48Å; M48-T58 HydrophobicContact CE-CG2 4.22Å; M48-T58 WeakPolarHBondContact CE-OG1 3.39Å; M48-T58 HydrophobicContact SD-CG2 3.98Å; M48-L63 HydrophobicContact CB-CD1 4.21Å; M48-L63 HydrophobicContact CB-CD2 3.88Å; M48-L63 HydrophobicContact SD-CD1 4.42Å
49N98.6Very high98.8Very high58 Ų5829.8 Ų29.831%0.3119%0.186SC..THydrogen-bonded Turntrans49.738.6-172-69.1-13.6000113.2K51 L63 V71N49-K51 VanDerWaalsContact C-N 3.34Å; N49-K51 PolarHBondContact O-N 2.94Å; N49-L63 PolarHBondContact ND2-O 2.85Å; N49-V71 PolarHBondContact N-O 2.96Å; N49-V71 PolarHBondContact OD1-N 2.69Å
50G98.4Very high98.8Very high57 Ų5731 Ų3159%0.58819%0.192SC*.THydrogen-bonded Turntrans88.1-11.1179.400000115.1N47 M48N47-G50 VanDerWaalsContact ND2-C 3.28Å; N47-G50 PolarHBondContact ND2-O 3.28Å; N47-G50 WeakPolarHBondContact OD1-CA 3.47Å; N47-G50 PolarHBondContact OD1-N 3.22Å; M48-G50 PolarHBondContact O-N 3.32Å
51K98.9Very high98.7Very high121 Ų12130.8 Ų30.853%0.52619%0.194SC..EExtended strand (participates in β ladder)trans-111.1135.8-178.7-171.7177.5177.3-178.40111.8M48 N49 S195 V196M48-K51 PolarHBondContact N-O 3.48Å; M48-K51 PolarHBondContact O-N 3.48Å; N49-K51 VanDerWaalsContact C-N 3.34Å; N49-K51 PolarHBondContact O-N 2.94Å; K51-S195 WeakPolarHBondContact CE-O 3.36Å; K51-S195 PolarHBondContact NZ-O 3.25Å; K51-V196 HydrophobicContact CG-CG1 4.12Å
52N98.9Very high98.7Very high9 Ų931.9 Ų31.95%0.04821%0.207CC..EExtended strand (participates in β ladder)trans-72.3144.4175.2-69.3-0.9000111.5L46 N47 L75 P76 C135 T138 V196L46-N52 VanDerWaalsContact O-CA 3.29Å; L46-N52 WeakPolarHBondContact O-CA 3.11Å; N47-N52 PolarHBondContact ND2-OD1 2.99Å; N52-L75 HydrophobicContact CB-CD2 4.27Å; N52-P76 WeakPolarHBondContact OD1-CD 3.47Å; N52-C135 HydrophobicContact CB-CB 4.03Å; N52-C135 PolarHBondContact ND2-O 3.34Å; N52-T138 PolarHBondContact ND2-OG1 3.16Å; N52-V196 HydrophobicContact CB-CB 4.12Å; N52-V196 HydrophobicContact CB-CG1 4.25Å; N52-V196 HydrophobicContact CB-CG2 4.45Å
53G98.8Very high98.7Very high9 Ų932 Ų329%0.09321%0.205CC..EExtended strand (participates in β ladder)trans-175.6-169.717300000111.1G45 L46G45-G53 WeakPolarHBondContact CA-O 3.44Å; L46-G53 PolarHBondContact N-O 3.25Å; L46-G53 PolarHBondContact O-N 2.86Å
54L98.9Very high98.6Very high2 Ų234.6 Ų34.61%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-105.2130.6176.9-59.4180000110.7C56 I57 T58 I131 C133 P198L54-C56 VanDerWaalsContact C-N 3.27Å; L54-C56 PolarHBondContact O-N 2.83Å; L54-I57 HydrophobicContact CB-CD1 4.37Å; L54-I57 HydrophobicContact CB-CG1 3.84Å; L54-I57 HydrophobicContact CD1-CD1 4.2Å; L54-I57 HydrophobicContact CD1-CG1 4.42Å; L54-I57 PolarHBondContact O-N 2.91Å; L54-T58 WeakPolarHBondContact O-CB 3.05Å; L54-T58 PolarHBondContact O-N 3.13Å; L54-T58 PolarHBondContact O-OG1 2.82Å; L54-I131 HydrophobicContact CD1-CD1 3.76Å; L54-C133 HydrophobicContact CD2-CB 3.93Å; L54-P198 HydrophobicContact CD1-CB 3.8Å; L54-P198 HydrophobicContact CD1-CG 3.87Å; L54-P198 HydrophobicContact CD2-CG 4.47Å; L54-P198 HydrophobicContact CG-CB 3.81Å; L54-P198 HydrophobicContact CG-CG 3.87Å
55A98.9Very high98.5Very high0 Ų038.6 Ų38.60%023%0.234CC..G310 helixtrans-60.3-36.6-178.900000112.9L16 L17 L20 D44 L46 I57 T58L16-A55 HydrophobicContact CB-CB 4.2Å; L16-A55 HydrophobicContact CD2-CB 4.03Å; L16-A55 HydrophobicContact CG-CB 4.2Å; L16-A55 PolarHBondContact N-O 3.05Å; L17-A55 HydrophobicContact CB-CB 4.03Å; L17-A55 PolarHBondContact N-O 3.06Å; L17-A55 VanDerWaalsContact N-O 3.07Å; L20-A55 HydrophobicContact CD1-CB 4.17Å; D44-A55 HydrophobicContact CB-CB 4.32Å; D44-A55 PolarHBondContact O-N 3.35Å; D44-A55 VanDerWaalsContact O-N 3.13Å; D44-A55 PolarHBondContact OD2-N 3.24Å; L46-A55 HydrophobicContact CD1-CB 3.97Å; A55-I57 PolarHBondContact O-N 2.68Å; A55-T58 PolarHBondContact O-N 3.35Å
56C98.8Very high98.4Very high5 Ų544.4 Ų44.43%0.03427%0.27CS..G310 helixtrans-68-15.6-176.156.60000115.6M15 L17 R37 G39 D44 L54M15-C56 VanDerWaalsContact CG-O 3.31Å; M15-C56 WeakPolarHBondContact CG-O 3.4Å; L17-C56 HydrophobicContact CB-CB 4.17Å; L17-C56 HydrophobicContact CD2-CB 3.65Å; R37-C56 HydrophobicContact CB-CB 4.42Å; G39-C56 PolarHBondContact N-SG 3.28Å; G39-C56 VanDerWaalsContact N-SG 3.41Å; D44-C56 PolarHBondContact OD1-SG 2.7Å; D44-C56 VanDerWaalsContact OD1-SG 3.38Å; D44-C56 WeakPolarHBondContact OD2-CA 3.49Å; D44-C56 WeakPolarHBondContact OD2-CB 3.43Å; D44-C56 PolarHBondContact OD2-N 3.28Å; D44-C56 PolarHBondContact OD2-SG 2.84Å; L54-C56 VanDerWaalsContact C-N 3.27Å; L54-C56 PolarHBondContact O-N 2.83Å
57I98.8Very high98.3Very high67 Ų6748.6 Ų48.634%0.34431%0.314SS..G310 helixtrans-130.818.3-18058.7162.9000111.7L54 A55 P59 P198L54-I57 HydrophobicContact CB-CD1 4.37Å; L54-I57 HydrophobicContact CB-CG1 3.84Å; L54-I57 HydrophobicContact CD1-CD1 4.2Å; L54-I57 HydrophobicContact CD1-CG1 4.42Å; L54-I57 PolarHBondContact O-N 2.91Å; A55-I57 PolarHBondContact O-N 2.68Å; I57-P59 WeakPolarHBondContact O-CD 3.37Å; I57-P198 HydrophobicContact CD1-CB 4.19Å
58T98.9Very high98.2Very high23 Ų2354.4 Ų54.414%0.14134%0.339CS..  trans-106.8105.4173.4-57.30000108L16 M48 L54 A55 L63L16-T58 PolarHBondContact N-O 2.93Å; M48-T58 HydrophobicContact CE-CG2 4.22Å; M48-T58 WeakPolarHBondContact CE-OG1 3.39Å; M48-T58 HydrophobicContact SD-CG2 3.98Å; L54-T58 WeakPolarHBondContact O-CB 3.05Å; L54-T58 PolarHBondContact O-N 3.13Å; L54-T58 PolarHBondContact O-OG1 2.82Å; A55-T58 PolarHBondContact O-N 3.35Å; T58-L63 HydrophobicContact CG2-CD1 3.75Å; T58-L63 HydrophobicContact CG2-CD2 3.86Å; T58-L63 HydrophobicContact CG2-CG 3.73Å
59P98.6Very high98.2Very high40 Ų4060.4 Ų60.426%0.2637%0.365SS..BIsolated β-bridgetrans-62.8146.4179.3-20.432.3000111.5D13 M15 I57 S61 A62D13-P59 WeakPolarHBondContact OD2-CB 3.46Å; M15-P59 HydrophobicContact SD-CB 4.45Å; M15-P59 HydrophobicContact SD-CG 4.12Å; I57-P59 WeakPolarHBondContact O-CD 3.37Å; P59-S61 VanDerWaalsContact C-N 3.25Å; P59-S61 PolarHBondContact O-N 2.87Å; P59-A62 HydrophobicContact CB-CB 4.46Å; P59-A62 WeakPolarHBondContact O-CB 3.26Å; P59-A62 PolarHBondContact O-N 3.35Å; P59-A62 VanDerWaalsContact O-N 3.11Å
60I98.3Very high98.2Very high28 Ų2860 Ų6014%0.14436%0.362CS..Hα-helixtrans-61-39.1174.9-72.6-65.4000110.3D13 M14 L16 A19 A62 L63 N64 I70D13-I60 PolarHBondContact OD1-N 3.07Å; M14-I60 HydrophobicContact CG-CB 4.41Å; M14-I60 HydrophobicContact CG-CG1 3.62Å; M14-I60 WeakPolarHBondContact O-CG1 3.3Å; M14-I60 PolarHBondContact O-N 3.46Å; L16-I60 HydrophobicContact CB-CD1 4.46Å; L16-I60 HydrophobicContact CD1-CD1 3.93Å; A19-I60 HydrophobicContact CB-CD1 3.94Å; A19-I60 HydrophobicContact CB-CG1 4.49Å; I60-A62 PolarHBondContact O-N 3.32Å; I60-A62 VanDerWaalsContact O-N 3.16Å; I60-L63 PolarHBondContact O-N 3.39Å; I60-N64 HydrophobicContact CG2-CB 4.28Å; I60-N64 VanDerWaalsContact O-CB 3.31Å; I60-N64 WeakPolarHBondContact O-CB 3.24Å; I60-N64 PolarHBondContact O-N 2.8Å; I60-I70 HydrophobicContact CD1-CD1 4.17Å; I60-I70 HydrophobicContact CG2-CD1 4.32Å
61S97.6Very high98.2Very high75 Ų7560.4 Ų60.452%0.52435%0.352SS..Hα-helixtrans-55.2-31.217565.70000113.9D13 P59 L63D13-S61 WeakPolarHBondContact OD1-CB 3.21Å; D13-S61 PolarHBondContact OD1-N 3.36Å; D13-S61 WeakPolarHBondContact OD2-CB 3.45Å; D13-S61 PolarHBondContact OD2-OG 3.18Å; P59-S61 VanDerWaalsContact C-N 3.25Å; P59-S61 PolarHBondContact O-N 2.87Å; S61-L63 VanDerWaalsContact C-N 3.32Å
62A98.2Very high98.2Very high71 Ų7156.7 Ų56.759%0.58734%0.338SS*.Hα-helixtrans-76.6-19.2178.100000113.3P59 I60P59-A62 HydrophobicContact CB-CB 4.46Å; P59-A62 WeakPolarHBondContact O-CB 3.26Å; P59-A62 PolarHBondContact O-N 3.35Å; P59-A62 VanDerWaalsContact O-N 3.11Å; I60-A62 PolarHBondContact O-N 3.32Å; I60-A62 VanDerWaalsContact O-N 3.16Å
63L98.4Very high98.2Very high13 Ų1362.5 Ų62.57%0.06836%0.359CS..Hα-helixtrans-104.5-29.4-179.7-61.8178.1000112.8L16 M48 N49 T58 I60 S61 Q65 I70L16-L63 HydrophobicContact CB-CD1 4.14Å; L16-L63 HydrophobicContact CD1-CD1 4.02Å; L16-L63 HydrophobicContact CD2-CD1 3.94Å; L16-L63 HydrophobicContact CG-CD1 4.24Å; M48-L63 HydrophobicContact CB-CD1 4.21Å; M48-L63 HydrophobicContact CB-CD2 3.88Å; M48-L63 HydrophobicContact SD-CD1 4.42Å; N49-L63 PolarHBondContact ND2-O 2.85Å; T58-L63 HydrophobicContact CG2-CD1 3.75Å; T58-L63 HydrophobicContact CG2-CD2 3.86Å; T58-L63 HydrophobicContact CG2-CG 3.73Å; I60-L63 PolarHBondContact O-N 3.39Å; S61-L63 VanDerWaalsContact C-N 3.32Å; L63-Q65 PolarHBondContact O-N 3.18Å; L63-I70 HydrophobicContact CB-CD1 3.98Å; L63-I70 HydrophobicContact CB-CG1 4.09Å; L63-I70 HydrophobicContact CB-CG2 4.02Å; L63-I70 HydrophobicContact CD1-CG2 4.01Å
64N97.2Very high98.2Very high100 Ų10063.4 Ų63.454%0.53536%0.363SS..  trans-73.5124.5-172.8-166.420.6000110.8I60 I70I60-N64 HydrophobicContact CG2-CB 4.28Å; I60-N64 VanDerWaalsContact O-CB 3.31Å; I60-N64 WeakPolarHBondContact O-CB 3.24Å; I60-N64 PolarHBondContact O-N 2.8Å; N64-I70 HydrophobicContact CB-CD1 4.31Å
65Q96.7Very high98.2Very high89 Ų8963.7 Ų63.742%0.41637%0.365SS..BIsolated β-bridgetrans-128.6127.4178.5-68.71784.400108.3L63 G67 K68L63-Q65 PolarHBondContact O-N 3.18Å; Q65-G67 PolarHBondContact O-N 3.42Å; Q65-K68 HydrophobicContact CB-CB 4.04Å; Q65-K68 HydrophobicContact CB-CD 4.21Å; Q65-K68 PolarHBondContact O-N 3.09Å
66P96.6Very high98.2Very high133 Ų13365.5 Ų65.586%0.86438%0.377SS*.THydrogen-bonded Turntrans-52.3129.7-179.3-27.434.4000112.3K68P66-K68 PolarHBondContact O-N 2.67Å
67G96.8Very high98.2Very high94 Ų9467.6 Ų67.697%0.96940%0.399SS*.THydrogen-bonded Turntrans73.75.2179.900000115.6Q65Q65-G67 PolarHBondContact O-N 3.42Å
68K97.9Very high98.2Very high138 Ų13865 Ų6560%0.639%0.386SS*.BIsolated β-bridgetrans-122.4141.3178.2-76.8176.5166.7174.80111.6Q65 P66Q65-K68 HydrophobicContact CB-CB 4.04Å; Q65-K68 HydrophobicContact CB-CD 4.21Å; Q65-K68 PolarHBondContact O-N 3.09Å; P66-K68 PolarHBondContact O-N 2.67Å
69K98.1Very high98.2Very high137 Ų13767.1 Ų67.160%0.59640%0.4SS*.PPolyproline II helixtrans-74.4141.2172.9-62.2174.5-172-88.10109.7D3 V71D3-K69 VanDerWaalsContact CG-NZ 3.32Å; D3-K69 IonicContact OD1-NZ 3.74Å; D3-K69 WeakPolarHBondContact OD2-CE 3.38Å; D3-K69 IonicContact OD2-NZ 2.69Å; D3-K69 PolarHBondContact OD2-NZ 3.02Å; K69-V71 PolarHBondContact O-N 2.9Å
70I98.6Very high98.2Very high50 Ų5069.3 Ų69.326%0.25641%0.413SS..PPolyproline II helixtrans-70.4118.1165.2-61.7173.4000107.5I60 L63 N64 I72I60-I70 HydrophobicContact CD1-CD1 4.17Å; I60-I70 HydrophobicContact CG2-CD1 4.32Å; L63-I70 HydrophobicContact CB-CD1 3.98Å; L63-I70 HydrophobicContact CB-CG1 4.09Å; L63-I70 HydrophobicContact CB-CG2 4.02Å; L63-I70 HydrophobicContact CD1-CG2 4.01Å; N64-I70 HydrophobicContact CB-CD1 4.31Å; I70-I72 HydrophobicContact CG2-CD1 4.48Å; I70-I72 HydrophobicContact CG2-CG1 4.09Å
71V98.7Very high98.2Very high64 Ų6473 Ų7339%0.38843%0.432SS..PPolyproline II helixtrans-98.5118.4-177.7-179.40000109.4N49 K69 R73N49-V71 PolarHBondContact N-O 2.96Å; N49-V71 PolarHBondContact OD1-N 2.69Å; K69-V71 PolarHBondContact O-N 2.9Å; V71-R73 HydrophobicContact CG1-CG 4.11Å
72I98.9Very high98.2Very high44 Ų4475.6 Ų75.623%0.22643%0.43CS..EExtended strand (participates in β ladder)trans-116.2127.2179.8-52.2175.7000109L16 L20 L46 I70 L84L16-I72 HydrophobicContact CD1-CD1 3.36Å; L16-I72 HydrophobicContact CD1-CG1 4.27Å; L16-I72 HydrophobicContact CD2-CD1 3.93Å; L16-I72 HydrophobicContact CD2-CG1 4.29Å; L16-I72 HydrophobicContact CG-CD1 4.07Å; L20-I72 HydrophobicContact CD2-CD1 3.94Å; L20-I72 HydrophobicContact CG-CD1 4.45Å; L46-I72 HydrophobicContact CB-CG2 4.46Å; L46-I72 HydrophobicContact CD1-CG2 3.76Å; I70-I72 HydrophobicContact CG2-CD1 4.48Å; I70-I72 HydrophobicContact CG2-CG1 4.09Å; I72-L84 HydrophobicContact CG2-CD1 3.77Å; I72-L84 HydrophobicContact CG2-CD2 4.09Å
73R98.9Very high98.2Very high130 Ų13075.5 Ų75.549%0.49142%0.42SS..EExtended strand (participates in β ladder)trans-136.6159.8-178.1-64.3176.869.487.9-0.3111N47 V71N47-R73 HydrophobicContact CB-CB 4.21Å; N47-R73 PolarHBondContact N-O 3.07Å; N47-R73 PolarHBondContact O-N 3.28Å; V71-R73 HydrophobicContact CG1-CG 4.11Å
74P98.9Very high98.3Very high28 Ų2876 Ų7618%0.18242%0.422CS..PPolyproline II helixtrans-59.5160.2170.5-17.529.5000111.8V80 D83 L84 V86P74-V80 HydrophobicContact CB-CG2 4Å; P74-V80 HydrophobicContact CG-CG1 4.31Å; P74-V80 HydrophobicContact CG-CG2 3.85Å; P74-D83 WeakPolarHBondContact CG-O 3.16Å; P74-L84 HydrophobicContact CG-CD2 4.44Å; P74-V86 HydrophobicContact CB-CG1 3.54Å
75L98.9Very high98.3Very high8 Ų872.2 Ų72.24%0.04240%0.403CS..PPolyproline II helixtrans-57.7135.4171.4-69.2175.5000110.7G45 N52 V86 A134 T138G45-L75 WeakPolarHBondContact O-CG 3.49Å; N52-L75 HydrophobicContact CB-CD2 4.27Å; L75-V86 HydrophobicContact CB-CG1 4.45Å; L75-A134 HydrophobicContact CD1-CB 4.22Å; L75-T138 HydrophobicContact CB-CG2 3.96Å; L75-T138 HydrophobicContact CD1-CG2 4.35Å
76P98.8Very high98.5Very high39 Ų3968.3 Ų68.325%0.25339%0.385SS..THydrogen-bonded Turntrans-69.2148.8-175.3-17.630000114N52 L78 T138 W144N52-P76 WeakPolarHBondContact OD1-CD 3.47Å; P76-L78 VanDerWaalsContact C-N 3.27Å; P76-L78 PolarHBondContact O-N 3.07Å; P76-T138 WeakPolarHBondContact CB-O 3.22Å; P76-T138 WeakPolarHBondContact CD-O 3.17Å; P76-T138 WeakPolarHBondContact O-CB 3.35Å; P76-W144 HydrophobicContact CB-CZ2 4.07Å
77G98Very high98.6Very high48 Ų4865.5 Ų65.550%0.49536%0.363SS..THydrogen-bonded Turntrans81.7-10.2169.600000115.9
78L98.6Very high98.7Very high12 Ų1261.9 Ų61.96%0.06332%0.321CS..SBendtrans-96.7148.9172.3-66.9177.2000111.1P76 V86 M88 Q90 T138 F143P76-L78 VanDerWaalsContact C-N 3.27Å; P76-L78 PolarHBondContact O-N 3.07Å; L78-V86 HydrophobicContact CB-CB 3.94Å; L78-V86 HydrophobicContact CB-CG1 4.35Å; L78-V86 HydrophobicContact CB-CG2 4.33Å; L78-V86 HydrophobicContact CD1-CB 4.46Å; L78-V86 HydrophobicContact CD1-CG2 3.93Å; L78-M88 HydrophobicContact CD1-SD 3.82Å; L78-Q90 HydrophobicContact CD2-CB 4.35Å; L78-T138 HydrophobicContact CD1-CG2 3.58Å; L78-T138 HydrophobicContact CG-CG2 3.82Å; L78-F143 HydrophobicContact CD2-CE1 4.4Å
79P98.7Very high98.7Very high69 Ų6957 Ų5745%0.44831%0.31SS..PPolyproline II helixtrans-58138.4173.8-22.833.3000111.5V86 D87P79-V86 CarbonylContact O-C 3.46Å; P79-V86 VanDerWaalsContact O-CA 3.25Å; P79-V86 WeakPolarHBondContact O-CA 3.5Å; P79-D87 HydrophobicContact CB-CB 4.13Å; P79-D87 HydrophobicContact CG-CB 4.41Å; P79-D87 PolarHBondContact O-N 3.02Å
80V98.8Very high98.7Very high86 Ų8653.9 Ų53.952%0.52130%0.297SS..EExtended strand (participates in β ladder)trans-89.4120.3175.1-179.10000108.5P74 D83P74-V80 HydrophobicContact CB-CG2 4Å; P74-V80 HydrophobicContact CG-CG1 4.31Å; P74-V80 HydrophobicContact CG-CG2 3.85Å; V80-D83 WeakPolarHBondContact CG1-O 3.41Å
81I98.8Very high98.7Very high106 Ų10651.8 Ų51.854%0.54429%0.286SS..EExtended strand (participates in β ladder)trans-77.3-52.8175-57.5178.9000109.3V85 D87I81-V85 HydrophobicContact CB-CG1 4.46Å; I81-V85 HydrophobicContact CD1-CG1 4.42Å; I81-V85 PolarHBondContact N-O 3.36Å; I81-D87 HydrophobicContact CD1-CB 4.07Å; I81-D87 HydrophobicContact CG1-CB 3.92Å
82R98.5Very high98.7Very high128 Ų12853.9 Ų53.948%0.48329%0.288SS..EExtended strand (participates in β ladder)trans-163.4134.6-178.4175.1174.3173.9-162.40.8110.1S29 S31 L84 V85S29-R82 PolarHBondContact O-NH2 3.27Å; S31-R82 PolarHBondContact OG-NE 2.8Å; S31-R82 PolarHBondContact OG-NH1 2.95Å; S31-R82 PolarHBondContact OG-NH2 2.99Å; R82-L84 PolarHBondContact O-N 2.93Å; R82-L84 VanDerWaalsContact O-N 3.09Å; R82-V85 PolarHBondContact N-O 3.41Å; R82-V85 WeakPolarHBondContact O-CA 3.36Å; R82-V85 WeakPolarHBondContact O-CB 3.23Å; R82-V85 PolarHBondContact O-N 3.49Å
83D98.5Very high98.7Very high70 Ų7053.7 Ų53.737%0.37429%0.293SS..THydrogen-bonded Turntrans50.2-113.4174.4-51.7-25.4000112.3S31 P74 V80S31-D83 WeakPolarHBondContact CA-OD2 3.39Å; S31-D83 WeakPolarHBondContact CB-OD2 3.22Å; S31-D83 PolarHBondContact N-OD2 3.4Å; S31-D83 VanDerWaalsContact O-CB 3.24Å; S31-D83 WeakPolarHBondContact O-CB 3.43Å; S31-D83 PolarHBondContact OG-OD2 3.45Å; S31-D83 VanDerWaalsContact OG-OD2 3.06Å; P74-D83 WeakPolarHBondContact CG-O 3.16Å; V80-D83 WeakPolarHBondContact CG1-O 3.41Å
84L98.8Very high98.7Very high24 Ų2447.6 Ų47.613%0.12627%0.27CS..THydrogen-bonded Turntrans-95.15.3178.6-60179000113.6L20 S31 F32 L46 I72 P74 R82L20-L84 HydrophobicContact CD2-CD1 4.21Å; S31-L84 PolarHBondContact O-N 3.35Å; F32-L84 HydrophobicContact CB-CB 4.1Å; F32-L84 HydrophobicContact CB-CD1 4.24Å; L46-L84 HydrophobicContact CD1-CD1 4.23Å; L46-L84 HydrophobicContact CD2-CB 3.8Å; L46-L84 HydrophobicContact CD2-CD1 4.13Å; L46-L84 HydrophobicContact CD2-CD2 4.46Å; L46-L84 HydrophobicContact CD2-CG 4.36Å; I72-L84 HydrophobicContact CG2-CD1 3.77Å; I72-L84 HydrophobicContact CG2-CD2 4.09Å; P74-L84 HydrophobicContact CG-CD2 4.44Å; R82-L84 PolarHBondContact O-N 2.93Å; R82-L84 VanDerWaalsContact O-N 3.09Å
85V98.9Very high98.7Very high20 Ų2049.2 Ų49.212%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-94.6111.1-175.4-174.20000109.8R33 I81 R82R33-V85 HydrophobicContact CG-CG1 4.25Å; R33-V85 HydrophobicContact CG-CG2 4.43Å; R33-V85 VanDerWaalsContact NH1-CG1 3.32Å; R33-V85 VanDerWaalsContact NH2-CG1 3.28Å; I81-V85 HydrophobicContact CB-CG1 4.46Å; I81-V85 HydrophobicContact CD1-CG1 4.42Å; I81-V85 PolarHBondContact N-O 3.36Å; R82-V85 PolarHBondContact N-O 3.41Å; R82-V85 WeakPolarHBondContact O-CA 3.36Å; R82-V85 WeakPolarHBondContact O-CB 3.23Å; R82-V85 PolarHBondContact O-N 3.49Å
86V98.9Very high98.7Very high6 Ų655.2 Ų55.24%0.03630%0.301CS..EExtended strand (participates in β ladder)trans-91.3159.4174.3-60.40000112.6R33 P74 L75 L78 P79 M88R33-V86 PolarHBondContact NH1-O 3.27Å; R33-V86 PolarHBondContact NH2-O 3.27Å; P74-V86 HydrophobicContact CB-CG1 3.54Å; L75-V86 HydrophobicContact CB-CG1 4.45Å; L78-V86 HydrophobicContact CB-CB 3.94Å; L78-V86 HydrophobicContact CB-CG1 4.35Å; L78-V86 HydrophobicContact CB-CG2 4.33Å; L78-V86 HydrophobicContact CD1-CB 4.46Å; L78-V86 HydrophobicContact CD1-CG2 3.93Å; P79-V86 CarbonylContact O-C 3.46Å; P79-V86 VanDerWaalsContact O-CA 3.25Å; P79-V86 WeakPolarHBondContact O-CA 3.5Å; V86-M88 HydrophobicContact CG2-CG 4.35Å; V86-M88 HydrophobicContact CG2-SD 3.84Å
87D98.9Very high98.7Very high75 Ų7558.8 Ų58.840%0.40131%0.312SS..  trans-83120.7166.1-171.6-10.3000109.9P79 I81 G89P79-D87 HydrophobicContact CB-CB 4.13Å; P79-D87 HydrophobicContact CG-CB 4.41Å; P79-D87 PolarHBondContact O-N 3.02Å; I81-D87 HydrophobicContact CD1-CB 4.07Å; I81-D87 HydrophobicContact CG1-CB 3.92Å; D87-G89 PolarHBondContact OD1-N 3.03Å
88M98.8Very high98.7Very high18 Ų1857.1 Ų57.19%0.08929%0.292CS..  trans-93.42.1-177.5-62.4-75.8-70.900112.5L78 V86 Q90 F91 Y92 A134L78-M88 HydrophobicContact CD1-SD 3.82Å; V86-M88 HydrophobicContact CG2-CG 4.35Å; V86-M88 HydrophobicContact CG2-SD 3.84Å; M88-Q90 PolarHBondContact O-N 2.81Å; M88-F91 HydrophobicContact CE-CD1 3.68Å; M88-F91 HydrophobicContact CE-CE1 4.12Å; M88-F91 HydrophobicContact CE-CG 4.2Å; M88-F91 WeakPolarHBondContact O-CA 3.19Å; M88-F91 WeakPolarHBondContact O-CB 3.29Å; M88-F91 PolarHBondContact O-N 3.37Å; M88-Y92 HydrophobicContact CB-CD2 3.88Å; M88-Y92 HydrophobicContact CB-CE1 4.33Å; M88-Y92 HydrophobicContact CB-CE2 3.34Å; M88-Y92 HydrophobicContact CE-CE1 4.26Å; M88-Y92 HydrophobicContact CG-CE2 4.34Å; M88-Y92 WeakPolarHBondContact O-CD2 3.15Å; M88-Y92 PolarHBondContact O-N 2.99Å; M88-A134 HydrophobicContact CE-CB 3.48Å; M88-A134 VanDerWaalsContact CE-CB 3.48Å; M88-A134 HydrophobicContact SD-CB 4.09Å
89G98.7Very high98.7Very high36 Ų3661.2 Ų61.237%0.37131%0.309SS..Hα-helixtrans-53.8-47.3-172.700000113.7D87 F91 Y92 A93D87-G89 PolarHBondContact OD1-N 3.03Å; G89-F91 VanDerWaalsContact C-N 3.33Å; G89-F91 PolarHBondContact O-N 3.41Å; G89-Y92 PolarHBondContact O-N 3.22Å; G89-A93 WeakPolarHBondContact O-CB 3.46Å; G89-A93 PolarHBondContact O-N 2.9Å
90Q98.2Very high98.7Very high71 Ų7159.1 Ų59.133%0.33230%0.295SS..Hα-helixtrans-62.4-40.3176.2-69.8175.2-49.100112.1L78 M88 A93 Q94L78-Q90 HydrophobicContact CD2-CB 4.35Å; M88-Q90 PolarHBondContact O-N 2.81Å; Q90-A93 PolarHBondContact O-N 3.18Å; Q90-Q94 WeakPolarHBondContact O-CG 3.04Å; Q90-Q94 PolarHBondContact O-N 2.92Å; Q90-Q94 VanDerWaalsContact O-N 3.12Å
91F98.9Very high98.7Very high6 Ų661 Ų613%0.02629%0.294CS..Hα-helixtrans-62.6-44.4178.2174.6-96.5000111.8M88 G89 Y95 L132 A134 A154M88-F91 HydrophobicContact CE-CD1 3.68Å; M88-F91 HydrophobicContact CE-CE1 4.12Å; M88-F91 HydrophobicContact CE-CG 4.2Å; M88-F91 WeakPolarHBondContact O-CA 3.19Å; M88-F91 WeakPolarHBondContact O-CB 3.29Å; M88-F91 PolarHBondContact O-N 3.37Å; G89-F91 VanDerWaalsContact C-N 3.33Å; G89-F91 PolarHBondContact O-N 3.41Å; F91-Y95 PolarHBondContact O-N 2.72Å; F91-L132 HydrophobicContact CE1-CB 4.12Å; F91-L132 HydrophobicContact CE1-CD2 4.3Å; F91-L132 WeakPolarHBondContact CE1-O 3.34Å; F91-L132 HydrophobicContact CZ-CB 4.5Å; F91-L132 HydrophobicContact CZ-CD2 4.28Å; F91-A134 HydrophobicContact CD1-CB 4.09Å; F91-A134 HydrophobicContact CD2-CB 3.53Å; F91-A134 HydrophobicContact CE1-CB 4.12Å; F91-A134 HydrophobicContact CE2-CB 3.56Å; F91-A134 HydrophobicContact CG-CB 3.8Å; F91-A134 HydrophobicContact CZ-CB 3.88Å; F91-A154 HydrophobicContact CE2-CB 3.43Å; F91-A154 VanDerWaalsContact CE2-CB 3.43Å; F91-A154 HydrophobicContact CZ-CB 3.65Å
92Y98.8Very high98.7Very high107 Ų10759.2 Ų59.242%0.4229%0.285SS..Hα-helixtrans-69.2-38.6176.5-58.9-39.9000112.4M88 G89 Q94 Y95 E96M88-Y92 HydrophobicContact CB-CD2 3.88Å; M88-Y92 HydrophobicContact CB-CE1 4.33Å; M88-Y92 HydrophobicContact CB-CE2 3.34Å; M88-Y92 HydrophobicContact CE-CE1 4.26Å; M88-Y92 HydrophobicContact CG-CE2 4.34Å; M88-Y92 WeakPolarHBondContact O-CD2 3.15Å; M88-Y92 PolarHBondContact O-N 2.99Å; G89-Y92 PolarHBondContact O-N 3.22Å; Y92-Q94 VanDerWaalsContact C-N 3.3Å; Y92-Q94 PolarHBondContact O-N 2.77Å; Y92-Y95 WeakPolarHBondContact O-CA 3.41Å; Y92-Y95 WeakPolarHBondContact O-CB 3.25Å; Y92-Y95 PolarHBondContact O-N 3.31Å; Y92-E96 PolarHBondContact O-N 2.83Å
93A98.8Very high98.7Very high40 Ų4055.4 Ų55.433%0.33127%0.274SS..Hα-helixtrans-58.5-40.8176.300000112.4G89 Q90 Y95 E96 K97G89-A93 WeakPolarHBondContact O-CB 3.46Å; G89-A93 PolarHBondContact O-N 2.9Å; Q90-A93 PolarHBondContact O-N 3.18Å; A93-Y95 VanDerWaalsContact C-N 3.33Å; A93-E96 PolarHBondContact O-N 2.91Å; A93-K97 WeakPolarHBondContact O-CG 3.35Å; A93-K97 PolarHBondContact O-N 3.28Å; A93-K97 VanDerWaalsContact O-N 3.1Å
94Q98.8Very high98.7Very high3 Ų354.6 Ų54.61%0.01427%0.27CS..Hα-helixtrans-69.1-31.5175.6-60.3-53.388.500112.7Q90 Y92 F143 P147 D148 F150 I151Q90-Q94 WeakPolarHBondContact O-CG 3.04Å; Q90-Q94 PolarHBondContact O-N 2.92Å; Q90-Q94 VanDerWaalsContact O-N 3.12Å; Y92-Q94 VanDerWaalsContact C-N 3.3Å; Y92-Q94 PolarHBondContact O-N 2.77Å; Q94-F143 HydrophobicContact CG-CE2 3.99Å; Q94-P147 WeakPolarHBondContact CG-O 3.32Å; Q94-P147 PolarHBondContact NE2-O 3.3Å; Q94-D148 PolarHBondContact OE1-O 3.2Å; Q94-F150 VanDerWaalsContact NE2-C 3.28Å; Q94-F150 PolarHBondContact NE2-O 3.31Å; Q94-I151 WeakPolarHBondContact CB-O 3.45Å
95Y98.8Very high98.7Very high62 Ų6257.2 Ų57.224%0.24328%0.284CS..Hα-helixtrans-67.3-41.3173.6-179.1-107.7000111.7F91 Y92 A93 I98 P100 L132 A158F91-Y95 PolarHBondContact O-N 2.72Å; Y92-Y95 WeakPolarHBondContact O-CA 3.41Å; Y92-Y95 WeakPolarHBondContact O-CB 3.25Å; Y92-Y95 PolarHBondContact O-N 3.31Å; A93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-I98 WeakPolarHBondContact O-CD1 3.5Å; Y95-I98 VanDerWaalsContact O-CG1 3.31Å; Y95-I98 WeakPolarHBondContact O-CG1 3.35Å; Y95-P100 HydrophobicContact CD1-CB 4.14Å; Y95-P100 HydrophobicContact CD1-CG 3.75Å; Y95-P100 HydrophobicContact CD2-CB 4.27Å; Y95-P100 HydrophobicContact CE1-CB 3.6Å; Y95-P100 HydrophobicContact CE1-CG 3.48Å; Y95-P100 VanDerWaalsContact CE1-CG 3.48Å; Y95-P100 HydrophobicContact CE2-CB 3.76Å; Y95-P100 HydrophobicContact CE2-CG 4.43Å; Y95-P100 HydrophobicContact CG-CB 4.45Å; Y95-P100 HydrophobicContact CG-CG 4.35Å; Y95-P100 WeakPolarHBondContact O-CD 3.39Å; Y95-P100 WeakPolarHBondContact O-CG 3.38Å; Y95-L132 HydrophobicContact CD2-CD2 3.93Å; Y95-L132 HydrophobicContact CE1-CD1 4.26Å; Y95-L132 HydrophobicContact CE2-CD2 3.87Å; Y95-L132 HydrophobicContact CG-CD2 4.43Å; Y95-A158 HydrophobicContact CD2-CB 3.89Å; Y95-A158 HydrophobicContact CE2-CB 3.49Å; Y95-A158 VanDerWaalsContact CE2-CB 3.49Å
96E98.7Very high98.7Very high133 Ų13358.5 Ų58.562%0.62130%0.301SS*.Hα-helixtrans-65.3-38.4176.6-70.3172.3-139.400112.6Y92 A93 I98 K99Y92-E96 PolarHBondContact O-N 2.83Å; A93-E96 PolarHBondContact O-N 2.91Å; E96-I98 PolarHBondContact O-N 3.2Å; E96-I98 VanDerWaalsContact O-N 3.1Å; E96-K99 PolarHBondContact O-N 2.84Å
97K98.4Very high98.6Very high115 Ų11564.8 Ų64.850%0.533%0.33SS..Hα-helixtrans-55-30.5-179.1-83.4176.3-176.6165.40114.2A93 K99 D148 I151A93-K97 WeakPolarHBondContact O-CG 3.35Å; A93-K97 PolarHBondContact O-N 3.28Å; A93-K97 VanDerWaalsContact O-N 3.1Å; K97-K99 VanDerWaalsContact C-N 3.27Å; K97-K99 PolarHBondContact O-N 3.05Å; K97-D148 PolarHBondContact NZ-O 3.02Å; K97-I151 HydrophobicContact CB-CD1 3.89Å; K97-I151 HydrophobicContact CD-CD1 4.23Å
98I98.7Very high98.5Very high13 Ų1368.5 Ų68.57%0.06735%0.35CS..THydrogen-bonded Turntrans-86.86.2-179.662.266.9000113.8Y95 E96 P100 I151 A158 A159 R174 L178Y95-I98 WeakPolarHBondContact O-CD1 3.5Å; Y95-I98 VanDerWaalsContact O-CG1 3.31Å; Y95-I98 WeakPolarHBondContact O-CG1 3.35Å; E96-I98 PolarHBondContact O-N 3.2Å; E96-I98 VanDerWaalsContact O-N 3.1Å; I98-P100 HydrophobicContact CD1-CB 3.54Å; I98-P100 HydrophobicContact CD1-CG 4.29Å; I98-I151 HydrophobicContact CG2-CD1 3.93Å; I98-I151 HydrophobicContact CG2-CG1 4.02Å; I98-I151 HydrophobicContact CG2-CG2 3.74Å; I98-A158 HydrophobicContact CD1-CB 4.2Å; I98-A159 HydrophobicContact CB-CB 3.91Å; I98-A159 HydrophobicContact CG1-CB 4.11Å; I98-A159 HydrophobicContact CG2-CB 4.06Å; I98-R174 PolarHBondContact O-NH1 3.43Å; I98-L178 HydrophobicContact CG2-CD2 4.19Å
99K98.7Very high98.4Very high98 Ų9872.6 Ų72.643%0.42638%0.378SS..  trans5469.6-177.8-58.2177.1-177.4175.20111.3E96 K97 Y101 L103 R174E96-K99 PolarHBondContact O-N 2.84Å; K97-K99 VanDerWaalsContact C-N 3.27Å; K97-K99 PolarHBondContact O-N 3.05Å; K99-Y101 HydrophobicContact CB-CE1 4.05Å; K99-Y101 HydrophobicContact CB-CE2 4.22Å; K99-Y101 PolarHBondContact O-N 3.11Å; K99-L103 HydrophobicContact CD-CD1 4.27Å; K99-R174 PolarHBondContact O-NH1 3.01Å
100P98.8Very high98.4Very high24 Ų2472.9 Ų72.916%0.15637%0.373CS..  trans-78.447.6-166.233.1-36.9000113.4Y95 I98 F162Y95-P100 HydrophobicContact CD1-CB 4.14Å; Y95-P100 HydrophobicContact CD1-CG 3.75Å; Y95-P100 HydrophobicContact CD2-CB 4.27Å; Y95-P100 HydrophobicContact CE1-CB 3.6Å; Y95-P100 HydrophobicContact CE1-CG 3.48Å; Y95-P100 VanDerWaalsContact CE1-CG 3.48Å; Y95-P100 HydrophobicContact CE2-CB 3.76Å; Y95-P100 HydrophobicContact CE2-CG 4.43Å; Y95-P100 HydrophobicContact CG-CB 4.45Å; Y95-P100 HydrophobicContact CG-CG 4.35Å; Y95-P100 WeakPolarHBondContact O-CD 3.39Å; Y95-P100 WeakPolarHBondContact O-CG 3.38Å; I98-P100 HydrophobicContact CD1-CB 3.54Å; I98-P100 HydrophobicContact CD1-CG 4.29Å; P100-F162 VanDerWaalsContact CA-CE2 3.42Å; P100-F162 HydrophobicContact CB-CE2 4.1Å; P100-F162 WeakPolarHBondContact O-CE2 3.38Å; P100-F162 WeakPolarHBondContact O-CZ 3.37Å
101Y98.9Very high98.4Very high125 Ų12574.8 Ų74.849%0.4940%0.401SS..SBendtrans-144.5155.9-179.643.7-94.6000109.2K99 L103 R174K99-Y101 HydrophobicContact CB-CE1 4.05Å; K99-Y101 HydrophobicContact CB-CE2 4.22Å; K99-Y101 PolarHBondContact O-N 3.11Å; Y101-L103 HydrophobicContact CD2-CD2 4Å; Y101-L103 HydrophobicContact CD2-CG 4.2Å; Y101-L103 HydrophobicContact CE2-CD2 3.67Å; Y101-L103 HydrophobicContact CE2-CG 4.1Å; Y101-L103 PolarHBondContact O-N 3.34Å; Y101-R174 PolarHBondContact O-NH2 2.82Å
102L98.8Very high98.3Very high70 Ų7084.7 Ų84.737%0.36644%0.438SS..  trans-64.4126.9-179.8-169.271000109.7R167 D168L102-R167 HydrophobicContact CD1-CB 4.01Å; L102-R167 HydrophobicContact CD2-CB 4.18Å; L102-D168 HydrophobicContact CD1-CB 3.89Å
103L98.7Very high98.3Very high48 Ų4885.5 Ų85.525%0.25145%0.446SS..  trans-111.8104171.3-71.7174.8000107.9K99 Y101 D168 T169 E170 R174K99-L103 HydrophobicContact CD-CD1 4.27Å; Y101-L103 HydrophobicContact CD2-CD2 4Å; Y101-L103 HydrophobicContact CD2-CG 4.2Å; Y101-L103 HydrophobicContact CE2-CD2 3.67Å; Y101-L103 HydrophobicContact CE2-CG 4.1Å; Y101-L103 PolarHBondContact O-N 3.34Å; L103-D168 PolarHBondContact N-OD2 3.1Å; L103-D168 CarbonylContact O-C 3.58Å; L103-D168 WeakPolarHBondContact O-CA 3.36Å; L103-T169 PolarHBondContact O-N 3.02Å; L103-T169 PolarHBondContact O-OG1 3.34Å; L103-E170 HydrophobicContact CB-CB 3.82Å; L103-E170 HydrophobicContact CB-CG 3.46Å; L103-E170 VanDerWaalsContact CB-CG 3.46Å; L103-E170 HydrophobicContact CD1-CB 4.02Å; L103-E170 HydrophobicContact CD1-CG 4.08Å; L103-E170 HydrophobicContact CG-CG 4.35Å; L103-R174 VanDerWaalsContact CG-NH2 3.3Å
104N98.6Very high98.3Very high52 Ų5287.1 Ų87.128%0.27845%0.447SS..  trans-119.4128.2175-173.4-70.2000108.2G106 R167 T169N104-G106 PolarHBondContact O-N 2.98Å; N104-G106 VanDerWaalsContact O-N 3.12Å; N104-G106 PolarHBondContact OD1-N 3.16Å; N104-R167 PolarHBondContact ND2-O 3.12Å; N104-T169 WeakPolarHBondContact CA-OG1 3.42Å
105N98.3Very high98.3Very high80 Ų8093.8 Ų93.843%0.42848%0.482SS..  trans-71.3-1.6-175.465.424.4000114.2Q107 T169N105-Q107 PolarHBondContact O-N 3.45Å; N105-Q107 WeakPolarHBondContact OD1-CB 3.47Å; N105-Q107 PolarHBondContact OD1-N 2.98Å; N105-T169 WeakPolarHBondContact CB-OG1 3.33Å; N105-T169 PolarHBondContact N-OG1 3.26Å
106G97.7Very high98.3Very high47 Ų4792.8 Ų92.849%0.48548%0.479SS..  trans75.5-1.1175.800000114.7N104N104-G106 PolarHBondContact O-N 2.98Å; N104-G106 VanDerWaalsContact O-N 3.12Å; N104-G106 PolarHBondContact OD1-N 3.16Å
107Q97.7Very high98.3Very high137 Ų13791.8 Ų91.864%0.6448%0.476SS*.SBendtrans-72.9143.3174.2-60.5-174.69.600110.2N105N105-Q107 PolarHBondContact O-N 3.45Å; N105-Q107 WeakPolarHBondContact OD1-CB 3.47Å; N105-Q107 PolarHBondContact OD1-N 2.98Å
108N97.2Very high98.3Very high154 Ų15490.7 Ų90.782%0.82448%0.481SS*.SBendtrans52.558-174.8-54-60.2000112.4
109P97.3Very high98.3Very high103 Ų10397 Ų9767%0.66951%0.51SS*.  trans-61.4140.2-178.828-34.6000110.2
110P97.6Very high98.3Very high42 Ų4295.6 Ų95.627%0.27351%0.505SS..  trans-66.4157.2174.629.9-35.6000110.8R112 E113P110-R112 VanDerWaalsContact C-N 3.25Å; P110-R112 WeakPolarHBondContact CG-O 3.35Å; P110-R112 PolarHBondContact O-N 3.18Å; P110-E113 WeakPolarHBondContact CB-O 3.4Å
111A97.6Very high98.3Very high111 Ų11198.1 Ų98.192%0.91751%0.511SS*.SBendtrans-66.2-29.6173.500000112.7
112R97.7Very high98.3Very high214 Ų21497.9 Ų97.981%0.80852%0.515SS*.SBendtrans-137.6-110.7177.8-65.8174.859.2142.33109.3P110P110-R112 VanDerWaalsContact C-N 3.25Å; P110-R112 WeakPolarHBondContact CG-O 3.35Å; P110-R112 PolarHBondContact O-N 3.18Å
113E98.4Very high98.3Very high125 Ų125100.3 Ų100.358%0.58452%0.522SS*.SBendtrans-76.9155.9170.665.7-88.7-157.400112.6P110 L115P110-E113 WeakPolarHBondContact CB-O 3.4Å; E113-L115 PolarHBondContact O-N 3.04Å
114H98.6Very high98.3Very high73 Ų7398.2 Ų98.234%0.33851%0.511SS..PPolyproline II helixtrans-61.4125.3168.9-70.3-85000110Q116 R167H114-Q116 PolarHBondContact O-N 3.48Å; H114-R167 HydrophobicContact CB-CG 3.82Å
115L98.5Very high98.3Very high143 Ų14399.6 Ų99.675%0.74952%0.519SS*.PPolyproline II helixtrans-69.9121.9174.3-60-179.1000109.3E113E113-L115 PolarHBondContact O-N 3.04Å
116Q98.8Very high98.3Very high41 Ų4197.1 Ų97.119%0.19251%0.512CS..  trans-133.7118.6177.3-177.9170.27400108.3H114 Q120 R121 D165 S166H114-Q116 PolarHBondContact O-N 3.48Å; Q116-Q120 HydrophobicContact CG-CB 3.82Å; Q116-R121 HydrophobicContact CG-CB 4.16Å; Q116-D165 PolarHBondContact NE2-OD1 3.5Å; Q116-S166 PolarHBondContact NE2-OG 3.23Å
117M98.7Very high98.4Very high112 Ų11295.6 Ų95.655%0.55249%0.492SS*.  trans-68.2150.6179.1-61.1-60.2148.300110.3E119 Q120 R121M117-E119 VanDerWaalsContact C-N 3.25Å; M117-E119 PolarHBondContact O-N 3.35Å; M117-Q120 HydrophobicContact CB-CG 4.29Å; M117-Q120 WeakPolarHBondContact O-CA 3.29Å; M117-Q120 WeakPolarHBondContact O-CB 3.3Å; M117-Q120 PolarHBondContact O-N 3.22Å; M117-R121 PolarHBondContact O-N 3.35Å
118P98.8Very high98.4Very high93 Ų9393.8 Ų93.860%0.60448%0.48SS*.Hα-helixtrans-49.9-44.5177-29.736.3000113.2Q120 R121 E122P118-Q120 VanDerWaalsContact C-N 3.29Å; P118-Q120 PolarHBondContact O-N 3.27Å; P118-R121 WeakPolarHBondContact O-CB 3.31Å; P118-R121 PolarHBondContact O-N 3.02Å; P118-E122 WeakPolarHBondContact O-CG 3.35Å; P118-E122 PolarHBondContact O-N 3.22Å
119E98.7Very high98.5Very high144 Ų14489.1 Ų89.167%0.67345%0.454SS*.Hα-helixtrans-60.4-34.5176.9-172.6-171.8175.400113.2M117 K123M117-E119 VanDerWaalsContact C-N 3.25Å; M117-E119 PolarHBondContact O-N 3.35Å; E119-K123 WeakPolarHBondContact O-CG 3.14Å
120Q98.8Very high98.6Very high69 Ų6986 Ų8632%0.32243%0.434SS..Hα-helixtrans-72.6-40.1174.9-64.5172-54.300110.9Q116 M117 P118 K123Q116-Q120 HydrophobicContact CG-CB 3.82Å; M117-Q120 HydrophobicContact CB-CG 4.29Å; M117-Q120 WeakPolarHBondContact O-CA 3.29Å; M117-Q120 WeakPolarHBondContact O-CB 3.3Å; M117-Q120 PolarHBondContact O-N 3.22Å; P118-Q120 VanDerWaalsContact C-N 3.29Å; P118-Q120 PolarHBondContact O-N 3.27Å; Q120-K123 PolarHBondContact O-N 3.34Å
121R98.8Very high98.6Very high78 Ų7885.4 Ų85.429%0.29443%0.428SS..Hα-helixtrans-67.5-41-180173.257.6-170.674.36.7111.9Q116 M117 P118 K123 L124 D125Q116-R121 HydrophobicContact CG-CB 4.16Å; M117-R121 PolarHBondContact O-N 3.35Å; P118-R121 WeakPolarHBondContact O-CB 3.31Å; P118-R121 PolarHBondContact O-N 3.02Å; R121-K123 PolarHBondContact O-N 2.7Å; R121-K123 VanDerWaalsContact O-N 3.16Å; R121-L124 WeakPolarHBondContact O-CB 3.21Å; R121-L124 PolarHBondContact O-N 2.87Å; R121-D125 IonicContact CZ-OD1 3.49Å; R121-D125 IonicContact NH1-OD1 2.67Å; R121-D125 PolarHBondContact NH1-OD1 2.95Å; R121-D125 IonicContact NH2-OD1 3.11Å; R121-D125 PolarHBondContact NH2-OD1 3.19Å
122E98.6Very high98.7Very high120 Ų12082.7 Ų82.756%0.56140%0.398SS*.Hα-helixtrans-57.1-28.5179.1-78.1170.4-166.500112.3P118 L124 D125P118-E122 WeakPolarHBondContact O-CG 3.35Å; P118-E122 PolarHBondContact O-N 3.22Å; E122-L124 PolarHBondContact O-N 3.05Å; E122-L124 VanDerWaalsContact O-N 3.11Å; E122-D125 WeakPolarHBondContact O-CB 3.45Å; E122-D125 PolarHBondContact O-N 2.73Å
123K98.7Very high98.7Very high120 Ų12073 Ų7352%0.52236%0.363SS..THydrogen-bonded Turntrans-63-19.5176.5-49.5-174.2-179-171.50113.4E119 Q120 R121 L127 I164E119-K123 WeakPolarHBondContact O-CG 3.14Å; Q120-K123 PolarHBondContact O-N 3.34Å; R121-K123 PolarHBondContact O-N 2.7Å; R121-K123 VanDerWaalsContact O-N 3.16Å; K123-L127 WeakPolarHBondContact O-CD1 3.5Å; K123-I164 HydrophobicContact CB-CD1 3.62Å; K123-I164 VanDerWaalsContact O-CD1 3.22Å; K123-I164 WeakPolarHBondContact O-CD1 3.46Å
124L98.9Very high98.8Very high5 Ų567.1 Ų67.13%0.02634%0.336CS..THydrogen-bonded Turntrans-83.9-18.1176.5-59.5174000112.8R121 E122 L127 Y128 R161 I164 D165R121-L124 WeakPolarHBondContact O-CB 3.21Å; R121-L124 PolarHBondContact O-N 2.87Å; E122-L124 PolarHBondContact O-N 3.05Å; E122-L124 VanDerWaalsContact O-N 3.11Å; L124-L127 VanDerWaalsContact O-CB 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.36Å; L124-L127 PolarHBondContact O-N 3.34Å; L124-Y128 WeakPolarHBondContact O-CD1 3.39Å; L124-Y128 PolarHBondContact O-N 3.14Å; L124-R161 HydrophobicContact CD2-CG 4.11Å; L124-R161 WeakPolarHBondContact CD2-O 3.19Å; L124-I164 HydrophobicContact CD2-CD1 3.51Å; L124-I164 HydrophobicContact CG-CD1 4.22Å; L124-D165 HydrophobicContact CD2-CB 3.96Å
125D98.7Very high98.8Very high81 Ų8163.7 Ų63.743%0.43332%0.32SS..THydrogen-bonded Turntrans-66.4137179.9-64.2-23.3000110.6R121 E122 L127 Y128R121-D125 IonicContact CZ-OD1 3.49Å; R121-D125 IonicContact NH1-OD1 2.67Å; R121-D125 PolarHBondContact NH1-OD1 2.95Å; R121-D125 IonicContact NH2-OD1 3.11Å; R121-D125 PolarHBondContact NH2-OD1 3.19Å; E122-D125 WeakPolarHBondContact O-CB 3.45Å; E122-D125 PolarHBondContact O-N 2.73Å; D125-L127 PolarHBondContact O-N 3.08Å; D125-Y128 WeakPolarHBondContact OD1-CE1 3.16Å
126G98.6Very high98.8Very high28 Ų2857.4 Ų57.429%0.28929%0.288SS..THydrogen-bonded Turntrans79.11.9-170.100000114.6E129G126-E129 VanDerWaalsContact C-OE2 3.28Å; G126-E129 VanDerWaalsContact CA-OE2 3.23Å; G126-E129 WeakPolarHBondContact CA-OE2 3.42Å; G126-E129 VanDerWaalsContact N-CD 3.29Å; G126-E129 PolarHBondContact N-OE1 3.02Å; G126-E129 PolarHBondContact N-OE2 2.86Å
127L98.8Very high98.8Very high14 Ų1455.5 Ų55.57%0.07328%0.279CS..THydrogen-bonded Turntrans-115.1-46.9175-47.7179.7000111.7K123 L124 D125 E129 L157 Y160 R161 I164 A206K123-L127 WeakPolarHBondContact O-CD1 3.5Å; L124-L127 VanDerWaalsContact O-CB 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.36Å; L124-L127 PolarHBondContact O-N 3.34Å; D125-L127 PolarHBondContact O-N 3.08Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact N-OE2 3.01Å; L127-E129 PolarHBondContact O-N 3.44Å; L127-L157 HydrophobicContact CD2-CD1 3.54Å; L127-L157 HydrophobicContact CD2-CG 4.32Å; L127-Y160 HydrophobicContact CD1-CD1 3.62Å; L127-Y160 HydrophobicContact CD1-CE1 4.02Å; L127-Y160 HydrophobicContact CD2-CD1 3.85Å; L127-Y160 HydrophobicContact CD2-CE1 4.46Å; L127-Y160 HydrophobicContact CG-CD1 4.43Å; L127-R161 HydrophobicContact CB-CB 3.98Å; L127-R161 HydrophobicContact CB-CG 4.39Å; L127-R161 HydrophobicContact CD1-CB 4.39Å; L127-I164 HydrophobicContact CD1-CD1 3.96Å; L127-I164 HydrophobicContact CD1-CG1 4.15Å; L127-A206 HydrophobicContact CD2-CB 4.29Å
128Y98.7Very high98.8Very high99 Ų9950.1 Ų50.139%0.38825%0.253SS..THydrogen-bonded Turntrans-76.7-16.7-17184.9-91.3000114.4L124 D125 C130 R161L124-Y128 WeakPolarHBondContact O-CD1 3.39Å; L124-Y128 PolarHBondContact O-N 3.14Å; D125-Y128 WeakPolarHBondContact OD1-CE1 3.16Å; Y128-C130 PolarHBondContact O-N 3.11Å; Y128-R161 VanDerWaalsContact CA-NH1 3.29Å; Y128-R161 VanDerWaalsContact CB-CZ 3.43Å; Y128-R161 VanDerWaalsContact CB-NH1 3.34Å; Y128-R161 PolarHBondContact O-NH1 2.97Å
129E98.9Very high98.8Very high57 Ų5746.1 Ų46.127%0.26623%0.227SC..THydrogen-bonded Turntrans-823.5-178-5288.715300112.6G126 L127 I131 L201G126-E129 VanDerWaalsContact C-OE2 3.28Å; G126-E129 VanDerWaalsContact CA-OE2 3.23Å; G126-E129 WeakPolarHBondContact CA-OE2 3.42Å; G126-E129 VanDerWaalsContact N-CD 3.29Å; G126-E129 PolarHBondContact N-OE1 3.02Å; G126-E129 PolarHBondContact N-OE2 2.86Å; L127-E129 VanDerWaalsContact C-N 3.31Å; L127-E129 PolarHBondContact N-OE2 3.01Å; L127-E129 PolarHBondContact O-N 3.44Å; E129-I131 WeakPolarHBondContact O-CG2 3.46Å; E129-I131 PolarHBondContact O-N 2.86Å; E129-L201 HydrophobicContact CB-CD2 4.33Å
130C98.9Very high98.8Very high37 Ų3739.9 Ų39.925%0.2520%0.199CC..  trans-60.7122.5173.7-176.10000110.6Y128 L157 L201Y128-C130 PolarHBondContact O-N 3.11Å; C130-L157 HydrophobicContact CB-CD2 3.96Å; C130-L201 HydrophobicContact CB-CD1 4.01Å
131I98.9Very high98.8Very high30 Ų3038 Ų3815%0.15419%0.193CC..  trans-97.814.9-176.460.6166.4000113.7V40 L54 E129 C133 P198 K199V40-I131 VanDerWaalsContact O-CB 3.3Å; V40-I131 WeakPolarHBondContact O-CB 3.49Å; V40-I131 WeakPolarHBondContact O-CG2 3.42Å; L54-I131 HydrophobicContact CD1-CD1 3.76Å; E129-I131 WeakPolarHBondContact O-CG2 3.46Å; E129-I131 PolarHBondContact O-N 2.86Å; I131-C133 HydrophobicContact CD1-CB 4.09Å; I131-C133 HydrophobicContact CG1-CB 4.06Å; I131-C133 PolarHBondContact O-N 2.98Å; I131-P198 HydrophobicContact CD1-CG 4.19Å; I131-K199 HydrophobicContact CD1-CD 3.93Å; I131-K199 HydrophobicContact CD1-CG 4.02Å; I131-K199 HydrophobicContact CG1-CD 4.38Å; I131-K199 HydrophobicContact CG1-CG 3.98Å; I131-K199 HydrophobicContact CG2-CD 4.23Å; I131-K199 HydrophobicContact CG2-CG 4.11Å
132L98.9Very high98.8Very high53 Ų5334.8 Ų34.828%0.27718%0.182SC..  trans51.330.1177.6-60.9179.5000115.5F91 Y95 A134F91-L132 HydrophobicContact CE1-CB 4.12Å; F91-L132 HydrophobicContact CE1-CD2 4.3Å; F91-L132 WeakPolarHBondContact CE1-O 3.34Å; F91-L132 HydrophobicContact CZ-CB 4.5Å; F91-L132 HydrophobicContact CZ-CD2 4.28Å; Y95-L132 HydrophobicContact CD2-CD2 3.93Å; Y95-L132 HydrophobicContact CE1-CD1 4.26Å; Y95-L132 HydrophobicContact CE2-CD2 3.87Å; Y95-L132 HydrophobicContact CG-CD2 4.43Å; L132-A134 PolarHBondContact O-N 3.28Å
133C98.9Very high98.8Very high12 Ų1229.1 Ų29.18%0.08116%0.155CC..  trans-74.5-3.3-178.964.60000115.6L54 I131 C135L54-C133 HydrophobicContact CD2-CB 3.93Å; I131-C133 HydrophobicContact CD1-CB 4.09Å; I131-C133 HydrophobicContact CG1-CB 4.06Å; I131-C133 PolarHBondContact O-N 2.98Å; C133-C135 PolarHBondContact O-N 2.82Å
134A98.9Very high98.8Very high1 Ų128.2 Ų28.21%0.00815%0.149CC..  trans57.8-2.4-176.400000118.2L75 M88 F91 L132 C136 S137 T138L75-A134 HydrophobicContact CD1-CB 4.22Å; M88-A134 HydrophobicContact CE-CB 3.48Å; M88-A134 VanDerWaalsContact CE-CB 3.48Å; M88-A134 HydrophobicContact SD-CB 4.09Å; F91-A134 HydrophobicContact CD1-CB 4.09Å; F91-A134 HydrophobicContact CD2-CB 3.53Å; F91-A134 HydrophobicContact CE1-CB 4.12Å; F91-A134 HydrophobicContact CE2-CB 3.56Å; F91-A134 HydrophobicContact CG-CB 3.8Å; F91-A134 HydrophobicContact CZ-CB 3.88Å; L132-A134 PolarHBondContact O-N 3.28Å; A134-C136 PolarHBondContact O-N 2.84Å; A134-C136 VanDerWaalsContact O-N 3.08Å; A134-S137 PolarHBondContact O-N 3.36Å; A134-S137 VanDerWaalsContact O-N 3.11Å; A134-T138 HydrophobicContact CB-CG2 4.12Å; A134-T138 WeakPolarHBondContact O-CG2 3.16Å; A134-T138 PolarHBondContact O-N 3.28Å; A134-T138 PolarHBondContact O-OG1 2.92Å
135C98.9Very high98.8Very high0 Ų037.5 Ų37.50%018%0.184CC..THydrogen-bonded Turntrans-50.1-40.7-179.2-67.90000113.3N52 C133 T138 S139 V196N52-C135 HydrophobicContact CB-CB 4.03Å; N52-C135 PolarHBondContact ND2-O 3.34Å; C133-C135 PolarHBondContact O-N 2.82Å; C135-T138 PolarHBondContact O-OG1 2.98Å; C135-S139 WeakPolarHBondContact O-CB 3.44Å; C135-S139 PolarHBondContact O-N 3.28Å; C135-S139 PolarHBondContact O-OG 3.31Å; C135-V196 HydrophobicContact CB-CG2 4.31Å; C135-V196 WeakPolarHBondContact O-CG2 3.36Å
136C98.9Very high98.8Very high11 Ų1135.1 Ų35.17%0.07417%0.171CC..THydrogen-bonded Turntrans-69.4-50.9178.856.60000112.3A134 T138 S139 C140 P153 C193 V196A134-C136 PolarHBondContact O-N 2.84Å; A134-C136 VanDerWaalsContact O-N 3.08Å; C136-T138 PolarHBondContact O-N 3.3Å; C136-S139 PolarHBondContact O-N 2.9Å; C136-S139 VanDerWaalsContact O-N 3.14Å; C136-S139 PolarHBondContact O-OG 3.33Å; C136-C140 PolarHBondContact O-N 3.04Å; C136-P153 VanDerWaalsContact C-CG 3.49Å; C136-P153 HydrophobicContact CB-CB 4.19Å; C136-P153 HydrophobicContact CB-CG 3.87Å; C136-C193 HydrophobicContact CB-CB 3.75Å; C136-V196 HydrophobicContact CB-CG2 4.46Å
137S98.9Very high98.8Very high1 Ų134.8 Ų34.81%0.00716%0.164CC..G310 helixtrans-64.3-41.6-177.9-62.50000112.1A134 S139 C140 F143 P153 A154A134-S137 PolarHBondContact O-N 3.36Å; A134-S137 VanDerWaalsContact O-N 3.11Å; S137-S139 PolarHBondContact O-N 3.23Å; S137-C140 WeakPolarHBondContact O-CB 3.26Å; S137-C140 PolarHBondContact O-N 3.16Å; S137-F143 WeakPolarHBondContact O-CB 3.44Å; S137-F143 WeakPolarHBondContact O-CD1 3.29Å; S137-P153 VanDerWaalsContact CA-CG 3.49Å; S137-P153 WeakPolarHBondContact OG-CD 3.42Å; S137-A154 PolarHBondContact OG-N 3.38Å
138T98.9Very high98.7Very high0 Ų038 Ų380%018%0.181CC..G310 helixtrans-75.4-1.5178.259.70000113.4N52 L75 P76 L78 A134 C135 C136 W144N52-T138 PolarHBondContact ND2-OG1 3.16Å; L75-T138 HydrophobicContact CB-CG2 3.96Å; L75-T138 HydrophobicContact CD1-CG2 4.35Å; P76-T138 WeakPolarHBondContact CB-O 3.22Å; P76-T138 WeakPolarHBondContact CD-O 3.17Å; P76-T138 WeakPolarHBondContact O-CB 3.35Å; L78-T138 HydrophobicContact CD1-CG2 3.58Å; L78-T138 HydrophobicContact CG-CG2 3.82Å; A134-T138 HydrophobicContact CB-CG2 4.12Å; A134-T138 WeakPolarHBondContact O-CG2 3.16Å; A134-T138 PolarHBondContact O-N 3.28Å; A134-T138 PolarHBondContact O-OG1 2.92Å; C135-T138 PolarHBondContact O-OG1 2.98Å; C136-T138 PolarHBondContact O-N 3.3Å; T138-W144 WeakPolarHBondContact O-CZ2 3.38Å; T138-W144 PolarHBondContact O-NE1 3.45Å
139S98.8Very high98.7Very high9 Ų938 Ų386%0.06318%0.183CC..G310 helixtrans-101.4-4.316974.30000112.9C135 C136 S137 P141 N192 V196C135-S139 WeakPolarHBondContact O-CB 3.44Å; C135-S139 PolarHBondContact O-N 3.28Å; C135-S139 PolarHBondContact O-OG 3.31Å; C136-S139 PolarHBondContact O-N 2.9Å; C136-S139 VanDerWaalsContact O-N 3.14Å; C136-S139 PolarHBondContact O-OG 3.33Å; S137-S139 PolarHBondContact O-N 3.23Å; S139-P141 WeakPolarHBondContact O-CD 3.42Å; S139-N192 VanDerWaalsContact O-CB 3.29Å; S139-N192 WeakPolarHBondContact O-CB 3.39Å; S139-N192 PolarHBondContact O-ND2 3.13Å; S139-V196 WeakPolarHBondContact OG-CG2 3.18Å
140C98.9Very high98.7Very high13 Ų1335.3 Ų35.39%0.08817%0.17CC..  trans-96.9116.2-172.3-176.10000111.5C136 S137 S142 F143 W144 P153C136-C140 PolarHBondContact O-N 3.04Å; S137-C140 WeakPolarHBondContact O-CB 3.26Å; S137-C140 PolarHBondContact O-N 3.16Å; C140-S142 VanDerWaalsContact C-N 3.32Å; C140-S142 PolarHBondContact O-N 2.96Å; C140-F143 HydrophobicContact CB-CB 3.96Å; C140-F143 WeakPolarHBondContact O-CB 3.38Å; C140-F143 PolarHBondContact O-N 2.92Å; C140-W144 PolarHBondContact O-N 2.92Å; C140-W144 VanDerWaalsContact O-N 3.11Å; C140-P153 HydrophobicContact CB-CG 4.37Å
141P98.7Very high98.7Very high30 Ų3033.8 Ų33.820%0.19516%0.16CC..Hα-helixtrans-55.8-42.1177.2-28.936.9000113.9S139 F143 W144 W145 I190S139-P141 WeakPolarHBondContact O-CD 3.42Å; P141-F143 PolarHBondContact O-N 3.22Å; P141-W144 HydrophobicContact CB-CE3 4.11Å; P141-W144 HydrophobicContact CB-CZ3 4.35Å; P141-W144 HydrophobicContact CG-CE3 4.25Å; P141-W144 HydrophobicContact CG-CZ3 4.03Å; P141-W144 WeakPolarHBondContact O-CB 3.42Å; P141-W144 PolarHBondContact O-N 3.29Å; P141-W145 PolarHBondContact O-N 3.42Å; P141-W145 VanDerWaalsContact O-N 3.16Å; P141-I190 HydrophobicContact CB-CD1 4.21Å; P141-I190 HydrophobicContact CG-CD1 4.07Å; P141-I190 HydrophobicContact CG-CG2 4.44Å
142S98.7Very high98.7Very high9 Ų932.4 Ų32.46%0.06315%0.152CC..Hα-helixtrans-58.6-33177.4-57.70000113C140 N146 R186C140-S142 VanDerWaalsContact C-N 3.32Å; C140-S142 PolarHBondContact O-N 2.96Å; S142-N146 PolarHBondContact O-N 3.11Å; S142-R186 VanDerWaalsContact CB-O 3.27Å; S142-R186 WeakPolarHBondContact CB-O 3.5Å; S142-R186 PolarHBondContact OG-O 3.22Å
143F98.8Very high98.7Very high1 Ų130 Ų300%0.00414%0.14CC..Hα-helixtrans-75.3-37.4176.2-172.5-96000111.5L78 Q94 S137 C140 P141 W145 N146 P147 F150L78-F143 HydrophobicContact CD2-CE1 4.4Å; Q94-F143 HydrophobicContact CG-CE2 3.99Å; S137-F143 WeakPolarHBondContact O-CB 3.44Å; S137-F143 WeakPolarHBondContact O-CD1 3.29Å; C140-F143 HydrophobicContact CB-CB 3.96Å; C140-F143 WeakPolarHBondContact O-CB 3.38Å; C140-F143 PolarHBondContact O-N 2.92Å; P141-F143 PolarHBondContact O-N 3.22Å; F143-W145 VanDerWaalsContact C-N 3.29Å; F143-W145 PolarHBondContact O-N 3.15Å; F143-N146 CarbonylContact O-C 3.54Å; F143-N146 PolarHBondContact O-N 3.23Å; F143-P147 HydrophobicContact CD1-CB 4.46Å; F143-P147 HydrophobicContact CE1-CB 4.15Å; F143-P147 HydrophobicContact CZ-CB 4.19Å; F143-P147 WeakPolarHBondContact O-CA 3.49Å; F143-P147 VanDerWaalsContact O-CB 3.3Å; F143-P147 WeakPolarHBondContact O-CB 3.39Å; F143-P147 VanDerWaalsContact O-CD 3.25Å; F143-P147 WeakPolarHBondContact O-CD 3.49Å; F143-F150 HydrophobicContact CB-CD1 4.11Å; F143-F150 HydrophobicContact CB-CE1 4.45Å
144W98.6Very high98.7Very high101 Ų10129.4 Ų29.438%0.38314%0.136SC..Hα-helixtrans-59.6-39.8175.5-57.7-23.7000112.7P76 T138 C140 P141P76-W144 HydrophobicContact CB-CZ2 4.07Å; T138-W144 WeakPolarHBondContact O-CZ2 3.38Å; T138-W144 PolarHBondContact O-NE1 3.45Å; C140-W144 PolarHBondContact O-N 2.92Å; C140-W144 VanDerWaalsContact O-N 3.11Å; P141-W144 HydrophobicContact CB-CE3 4.11Å; P141-W144 HydrophobicContact CB-CZ3 4.35Å; P141-W144 HydrophobicContact CG-CE3 4.25Å; P141-W144 HydrophobicContact CG-CZ3 4.03Å; P141-W144 WeakPolarHBondContact O-CB 3.42Å; P141-W144 PolarHBondContact O-N 3.29Å
145W98.5Very high98.7Very high200 Ų20029.5 Ų29.576%0.75814%0.138SC*.Hα-helixtrans-83.1-25.2-175.5-60.3119.9000114.2P141 F143P141-W145 PolarHBondContact O-N 3.42Å; P141-W145 VanDerWaalsContact O-N 3.16Å; F143-W145 VanDerWaalsContact C-N 3.29Å; F143-W145 PolarHBondContact O-N 3.15Å
146N98.5Very high98.7Very high32 Ų3229.5 Ų29.517%0.17114%0.138CC..  trans-142.858.9-178.6-61.9-92.8000111.1S142 F143 D148 K149 F150S142-N146 PolarHBondContact O-N 3.11Å; F143-N146 CarbonylContact O-C 3.54Å; F143-N146 PolarHBondContact O-N 3.23Å; N146-D148 PolarHBondContact O-N 3.16Å; N146-D148 VanDerWaalsContact O-N 3.14Å; N146-K149 HydrophobicContact CB-CB 4.29Å; N146-K149 PolarHBondContact O-N 3.16Å; N146-K149 VanDerWaalsContact O-N 3.13Å; N146-F150 PolarHBondContact O-N 3.39Å
147P98.4Very high98.7Very high20 Ų2029.2 Ų29.213%0.1314%0.135CC..THydrogen-bonded Turntrans-66.2-16.5-173.927.7-35.2000113.2Q94 F143Q94-P147 WeakPolarHBondContact CG-O 3.32Å; Q94-P147 PolarHBondContact NE2-O 3.3Å; F143-P147 HydrophobicContact CD1-CB 4.46Å; F143-P147 HydrophobicContact CE1-CB 4.15Å; F143-P147 HydrophobicContact CZ-CB 4.19Å; F143-P147 WeakPolarHBondContact O-CA 3.49Å; F143-P147 VanDerWaalsContact O-CB 3.3Å; F143-P147 WeakPolarHBondContact O-CB 3.39Å; F143-P147 VanDerWaalsContact O-CD 3.25Å; F143-P147 WeakPolarHBondContact O-CD 3.49Å
148D98.2Very high98.7Very high83 Ų8329.5 Ų29.544%0.44414%0.138SC..THydrogen-bonded Turntrans-95.3-14.5178.966.4-45.1000113.5Q94 K97 N146Q94-D148 PolarHBondContact OE1-O 3.2Å; K97-D148 PolarHBondContact NZ-O 3.02Å; N146-D148 PolarHBondContact O-N 3.16Å; N146-D148 VanDerWaalsContact O-N 3.14Å
149K98.4Very high98.7Very high98 Ų9829.8 Ų29.843%0.42614%0.14SC..THydrogen-bonded Turntrans-116.1-49.7-177.9-56.2176.2-173.7171.80112.4N146 I151 F182N146-K149 HydrophobicContact CB-CB 4.29Å; N146-K149 PolarHBondContact O-N 3.16Å; N146-K149 VanDerWaalsContact O-N 3.13Å; K149-I151 PolarHBondContact O-N 3.39Å; K149-F182 HydrophobicContact CB-CB 3.73Å; K149-F182 HydrophobicContact CB-CD1 3.76Å; K149-F182 HydrophobicContact CB-CG 3.88Å; K149-F182 HydrophobicContact CD-CD1 3.85Å; K149-F182 HydrophobicContact CD-CE1 3.91Å; K149-F182 HydrophobicContact CD-CG 4.19Å; K149-F182 HydrophobicContact CD-CZ 4.31Å; K149-F182 HydrophobicContact CG-CD1 4.46Å
150F98.8Very high98.7Very high1 Ų131 Ų310%0.00414%0.143CC..SBendtrans-75.2123.7175.6176.2-130.8000109.3Q94 F143 N146 G152 L156 F182 S183 R186 C187Q94-F150 VanDerWaalsContact NE2-C 3.28Å; Q94-F150 PolarHBondContact NE2-O 3.31Å; F143-F150 HydrophobicContact CB-CD1 4.11Å; F143-F150 HydrophobicContact CB-CE1 4.45Å; N146-F150 PolarHBondContact O-N 3.39Å; F150-G152 VanDerWaalsContact CE1-CA 3.47Å; F150-G152 PolarHBondContact O-N 2.94Å; F150-L156 HydrophobicContact CE2-CD1 3.66Å; F150-L156 HydrophobicContact CZ-CD1 4.15Å; F150-F182 WeakPolarHBondContact CD2-O 3.38Å; F150-S183 WeakPolarHBondContact CD2-O 3.37Å; F150-R186 HydrophobicContact CB-CB 4.05Å; F150-R186 HydrophobicContact CB-CG 4.49Å; F150-R186 HydrophobicContact CD2-CB 3.66Å; F150-R186 HydrophobicContact CE2-CB 4.21Å; F150-R186 HydrophobicContact CG-CB 3.83Å; F150-C187 HydrophobicContact CE2-CB 4.19Å; F150-C187 HydrophobicContact CZ-CB 4.05Å
151I98.9Very high98.7Very high5 Ų534.2 Ų34.23%0.02615%0.154CC..  trans-60.8-31.6-178-63.5-58.6000111.6Q94 K97 I98 K149 L156 S183Q94-I151 WeakPolarHBondContact CB-O 3.45Å; K97-I151 HydrophobicContact CB-CD1 3.89Å; K97-I151 HydrophobicContact CD-CD1 4.23Å; I98-I151 HydrophobicContact CG2-CD1 3.93Å; I98-I151 HydrophobicContact CG2-CG1 4.02Å; I98-I151 HydrophobicContact CG2-CG2 3.74Å; K149-I151 PolarHBondContact O-N 3.39Å; I151-L156 HydrophobicContact CB-CD2 3.82Å; I151-L156 HydrophobicContact CB-CG 3.88Å; I151-L156 HydrophobicContact CG1-CD2 4.27Å; I151-L156 HydrophobicContact CG2-CD2 3.86Å; I151-L156 HydrophobicContact CG2-CG 3.82Å; I151-S183 PolarHBondContact N-O 3.46Å
152G98.9Very high98.7Very high0 Ų033.6 Ų33.60%015%0.148CC..Hα-helixtrans83.5163.8-178.700000113.4F150 A154 G155 L156F150-G152 VanDerWaalsContact CE1-CA 3.47Å; F150-G152 PolarHBondContact O-N 2.94Å; G152-A154 PolarHBondContact O-N 3.5Å; G152-G155 PolarHBondContact O-N 3.48Å; G152-L156 WeakPolarHBondContact O-CB 3.42Å; G152-L156 WeakPolarHBondContact O-CG 3.37Å; G152-L156 PolarHBondContact O-N 2.97Å
153P98.9Very high98.8Very high2 Ų233.4 Ų33.41%0.01315%0.146CC..Hα-helixtrans-60.3-40.6-173.123-34.6000114.1C136 S137 C140 L157 C193 P203C136-P153 VanDerWaalsContact C-CG 3.49Å; C136-P153 HydrophobicContact CB-CB 4.19Å; C136-P153 HydrophobicContact CB-CG 3.87Å; S137-P153 VanDerWaalsContact CA-CG 3.49Å; S137-P153 WeakPolarHBondContact OG-CD 3.42Å; C140-P153 HydrophobicContact CB-CG 4.37Å; P153-L157 WeakPolarHBondContact O-CB 3.24Å; P153-L157 PolarHBondContact O-N 3.05Å; P153-C193 HydrophobicContact CB-CB 3.54Å; P153-C193 HydrophobicContact CG-CB 3.78Å; P153-P203 HydrophobicContact CB-CB 3.51Å; P153-P203 HydrophobicContact CB-CG 4.02Å
154A98.9Very high98.8Very high1 Ų134.9 Ų34.91%0.00815%0.154CC..Hα-helixtrans-66.9-46.3179.800000112.3F91 S137 G152 L157 A158F91-A154 HydrophobicContact CE2-CB 3.43Å; F91-A154 VanDerWaalsContact CE2-CB 3.43Å; F91-A154 HydrophobicContact CZ-CB 3.65Å; S137-A154 PolarHBondContact OG-N 3.38Å; G152-A154 PolarHBondContact O-N 3.5Å; A154-L157 PolarHBondContact O-N 3.47Å; A154-A158 PolarHBondContact O-N 2.86Å; A154-A158 VanDerWaalsContact O-N 3.12Å
155G98.8Very high98.8Very high3 Ų330.3 Ų30.33%0.03114%0.137CC..Hα-helixtrans-65.1-39.9178.600000111.6G152 A158 A159G152-G155 PolarHBondContact O-N 3.48Å; G155-A158 CarbonylContact O-C 3.58Å; G155-A158 WeakPolarHBondContact O-CB 3.46Å; G155-A158 PolarHBondContact O-N 2.8Å; G155-A159 PolarHBondContact O-N 2.83Å
156L98.9Very high98.8Very high0 Ų023.3 Ų23.30%012%0.118CC..Hα-helixtrans-70.9-32.4177.4-67.1175.2000113.1F150 I151 G152 A158 A159 Y160 V184 I207 I210F150-L156 HydrophobicContact CE2-CD1 3.66Å; F150-L156 HydrophobicContact CZ-CD1 4.15Å; I151-L156 HydrophobicContact CB-CD2 3.82Å; I151-L156 HydrophobicContact CB-CG 3.88Å; I151-L156 HydrophobicContact CG1-CD2 4.27Å; I151-L156 HydrophobicContact CG2-CD2 3.86Å; I151-L156 HydrophobicContact CG2-CG 3.82Å; G152-L156 WeakPolarHBondContact O-CB 3.42Å; G152-L156 WeakPolarHBondContact O-CG 3.37Å; G152-L156 PolarHBondContact O-N 2.97Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.38Å; L156-A159 PolarHBondContact O-N 3.43Å; L156-Y160 WeakPolarHBondContact O-CB 3.34Å; L156-Y160 PolarHBondContact O-N 3.45Å; L156-V184 HydrophobicContact CD2-CG2 3.82Å; L156-I207 HydrophobicContact CB-CD1 4.19Å; L156-I207 HydrophobicContact CB-CG1 3.65Å; L156-I207 HydrophobicContact CD1-CD1 3.81Å; L156-I207 HydrophobicContact CD1-CG1 3.69Å; L156-I207 HydrophobicContact CD1-CG2 4.45Å; L156-I207 HydrophobicContact CG-CG1 4.3Å; L156-I210 HydrophobicContact CB-CD1 4.12Å; L156-I210 HydrophobicContact CD2-CD1 4.14Å; L156-I210 WeakPolarHBondContact O-CD1 3.36Å
157L98.9Very high98.8Very high4 Ų425.4 Ų25.42%0.02112%0.124CC..Hα-helixtrans-60.6-42.4169.7-171.675.6000110.8L127 C130 P153 A154 Y160 R161 L201 A206L127-L157 HydrophobicContact CD2-CD1 3.54Å; L127-L157 HydrophobicContact CD2-CG 4.32Å; C130-L157 HydrophobicContact CB-CD2 3.96Å; P153-L157 WeakPolarHBondContact O-CB 3.24Å; P153-L157 PolarHBondContact O-N 3.05Å; A154-L157 PolarHBondContact O-N 3.47Å; L157-Y160 PolarHBondContact O-N 2.69Å; L157-R161 PolarHBondContact O-N 3.4Å; L157-L201 HydrophobicContact CD2-CB 4.18Å; L157-L201 HydrophobicContact CD2-CD1 3.73Å; L157-A206 HydrophobicContact CD1-CB 3.7Å
158A98.9Very high98.8Very high8 Ų825 Ų257%0.06612%0.12CC..Hα-helixtrans-69.5-38.4176.200000113.1Y95 I98 A154 G155 L156 Y160 R161 F162Y95-A158 HydrophobicContact CD2-CB 3.89Å; Y95-A158 HydrophobicContact CE2-CB 3.49Å; Y95-A158 VanDerWaalsContact CE2-CB 3.49Å; I98-A158 HydrophobicContact CD1-CB 4.2Å; A154-A158 PolarHBondContact O-N 2.86Å; A154-A158 VanDerWaalsContact O-N 3.12Å; G155-A158 CarbonylContact O-C 3.58Å; G155-A158 WeakPolarHBondContact O-CB 3.46Å; G155-A158 PolarHBondContact O-N 2.8Å; L156-A158 VanDerWaalsContact C-N 3.29Å; L156-A158 PolarHBondContact O-N 3.38Å; A158-Y160 VanDerWaalsContact C-N 3.33Å; A158-Y160 PolarHBondContact O-N 2.8Å; A158-R161 WeakPolarHBondContact O-CB 3.41Å; A158-R161 PolarHBondContact O-N 3.37Å; A158-F162 VanDerWaalsContact O-CD2 3.24Å; A158-F162 WeakPolarHBondContact O-CD2 3.33Å; A158-F162 PolarHBondContact O-N 2.94Å
159A98.9Very high98.9Very high5 Ų523.7 Ų23.74%0.04112%0.116CC..Hα-helixtrans-59.8-47.2173.100000110.5I98 G155 L156 R161 F162 L163 L178 I210I98-A159 HydrophobicContact CB-CB 3.91Å; I98-A159 HydrophobicContact CG1-CB 4.11Å; I98-A159 HydrophobicContact CG2-CB 4.06Å; G155-A159 PolarHBondContact O-N 2.83Å; L156-A159 PolarHBondContact O-N 3.43Å; A159-R161 VanDerWaalsContact C-N 3.31Å; A159-R161 PolarHBondContact O-N 3.44Å; A159-F162 PolarHBondContact O-N 3.12Å; A159-F162 VanDerWaalsContact O-N 3.16Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 2.81Å; A159-L178 HydrophobicContact CB-CD1 4.3Å; A159-I210 HydrophobicContact CB-CD1 4.37Å
160Y98.9Very high98.9Very high35 Ų3522 Ų2214%0.13711%0.109CC..Hα-helixtrans-61-40.2177.9-169-122.7000112.2L127 L156 L157 A158 F162 L163 I164 A206 H209 I210 M213L127-Y160 HydrophobicContact CD1-CD1 3.62Å; L127-Y160 HydrophobicContact CD1-CE1 4.02Å; L127-Y160 HydrophobicContact CD2-CD1 3.85Å; L127-Y160 HydrophobicContact CD2-CE1 4.46Å; L127-Y160 HydrophobicContact CG-CD1 4.43Å; L156-Y160 WeakPolarHBondContact O-CB 3.34Å; L156-Y160 PolarHBondContact O-N 3.45Å; L157-Y160 PolarHBondContact O-N 2.69Å; A158-Y160 VanDerWaalsContact C-N 3.33Å; A158-Y160 PolarHBondContact O-N 2.8Å; Y160-F162 PolarHBondContact O-N 3.35Å; Y160-L163 HydrophobicContact CD2-CB 4.45Å; Y160-L163 PolarHBondContact O-N 3.2Å; Y160-L163 VanDerWaalsContact O-N 3.16Å; Y160-I164 HydrophobicContact CD2-CG2 4.07Å; Y160-I164 HydrophobicContact CE1-CG1 4.36Å; Y160-I164 HydrophobicContact CE1-CG2 4.47Å; Y160-I164 HydrophobicContact CE2-CG1 4.5Å; Y160-I164 HydrophobicContact CE2-CG2 3.37Å; Y160-I164 WeakPolarHBondContact O-CG1 3.46Å; Y160-I164 PolarHBondContact O-N 3.12Å; Y160-A206 HydrophobicContact CD1-CB 3.74Å; Y160-A206 HydrophobicContact CG-CB 4.1Å; Y160-H209 HydrophobicContact CD2-CB 4.03Å; Y160-H209 HydrophobicContact CE1-CB 4.03Å; Y160-H209 AromaticContact CE1-CD2 3.76Å; Y160-H209 HydrophobicContact CE2-CB 3.28Å; Y160-H209 AromaticContact CZ-CD2 3.68Å; Y160-H209 AromaticContact CZ-CG 3.63Å; Y160-H209 WeakPolarHBondContact OH-CB 3.37Å; Y160-H209 PolarHBondContact OH-CD2 2.97Å; Y160-H209 VanDerWaalsContact OH-CG 3.28Å; Y160-I210 HydrophobicContact CD2-CG1 3.83Å; Y160-I210 HydrophobicContact CG-CG1 4.25Å; Y160-M213 HydrophobicContact CD2-SD 4.39Å; Y160-M213 HydrophobicContact CE2-SD 3.96Å
161R98.9Very high98.9Very high81 Ų8123.6 Ų23.631%0.30612%0.119SC..Hα-helixtrans-49.4-44.7173.7176.1-172170154.61.5112.4L124 L127 Y128 L157 A158 A159 D165L124-R161 HydrophobicContact CD2-CG 4.11Å; L124-R161 WeakPolarHBondContact CD2-O 3.19Å; L127-R161 HydrophobicContact CB-CB 3.98Å; L127-R161 HydrophobicContact CB-CG 4.39Å; L127-R161 HydrophobicContact CD1-CB 4.39Å; Y128-R161 VanDerWaalsContact CA-NH1 3.29Å; Y128-R161 VanDerWaalsContact CB-CZ 3.43Å; Y128-R161 VanDerWaalsContact CB-NH1 3.34Å; Y128-R161 PolarHBondContact O-NH1 2.97Å; L157-R161 PolarHBondContact O-N 3.4Å; A158-R161 WeakPolarHBondContact O-CB 3.41Å; A158-R161 PolarHBondContact O-N 3.37Å; A159-R161 VanDerWaalsContact C-N 3.31Å; A159-R161 PolarHBondContact O-N 3.44Å; R161-D165 PolarHBondContact O-N 2.84Å
162F98.9Very high98.9Very high16 Ų1627.7 Ų27.77%0.0714%0.141CC..Hα-helixtrans-81.3-34.6179.6-69.4-74.1000113P100 A158 A159 Y160 I164 D165 D168P100-F162 VanDerWaalsContact CA-CE2 3.42Å; P100-F162 HydrophobicContact CB-CE2 4.1Å; P100-F162 WeakPolarHBondContact O-CE2 3.38Å; P100-F162 WeakPolarHBondContact O-CZ 3.37Å; A158-F162 VanDerWaalsContact O-CD2 3.24Å; A158-F162 WeakPolarHBondContact O-CD2 3.33Å; A158-F162 PolarHBondContact O-N 2.94Å; A159-F162 PolarHBondContact O-N 3.12Å; A159-F162 VanDerWaalsContact O-N 3.16Å; Y160-F162 PolarHBondContact O-N 3.35Å; F162-I164 PolarHBondContact O-N 2.74Å; F162-I164 VanDerWaalsContact O-N 3.15Å; F162-D165 PolarHBondContact O-N 3.4Å; F162-D168 WeakPolarHBondContact O-CB 3.43Å
163L98.9Very high98.8Very high5 Ų530.4 Ų30.43%0.02616%0.16CC..Hα-helixtrans-57.9-29179.5-78167.8000113.8A159 Y160 T171 R174 L175 L178 I210 M213A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 2.81Å; Y160-L163 HydrophobicContact CD2-CB 4.45Å; Y160-L163 PolarHBondContact O-N 3.2Å; Y160-L163 VanDerWaalsContact O-N 3.16Å; L163-T171 HydrophobicContact CD2-CG2 3.96Å; L163-T171 WeakPolarHBondContact O-CG2 3.31Å; L163-T171 PolarHBondContact O-OG1 3.37Å; L163-R174 HydrophobicContact CD2-CB 3.7Å; L163-L175 HydrophobicContact CD1-CD2 4.19Å; L163-L175 HydrophobicContact CD2-CD2 3.83Å; L163-L175 HydrophobicContact CD2-CG 3.82Å; L163-L178 HydrophobicContact CD1-CD1 4.28Å; L163-I210 HydrophobicContact CD1-CD1 4.36Å; L163-I210 HydrophobicContact CD1-CG1 3.86Å; L163-I210 HydrophobicContact CD1-CG2 4.32Å; L163-M213 HydrophobicContact CB-CE 4.01Å; L163-M213 HydrophobicContact CB-SD 4.26Å; L163-M213 HydrophobicContact CD2-CE 4.3Å
164I98.9Very high98.8Very high32 Ų3231.3 Ų31.316%0.16416%0.163CC..THydrogen-bonded Turntrans-112.7-1.5-17761.390.1000113.9K123 L124 L127 Y160 F162 S166 M213K123-I164 HydrophobicContact CB-CD1 3.62Å; K123-I164 VanDerWaalsContact O-CD1 3.22Å; K123-I164 WeakPolarHBondContact O-CD1 3.46Å; L124-I164 HydrophobicContact CD2-CD1 3.51Å; L124-I164 HydrophobicContact CG-CD1 4.22Å; L127-I164 HydrophobicContact CD1-CD1 3.96Å; L127-I164 HydrophobicContact CD1-CG1 4.15Å; Y160-I164 HydrophobicContact CD2-CG2 4.07Å; Y160-I164 HydrophobicContact CE1-CG1 4.36Å; Y160-I164 HydrophobicContact CE1-CG2 4.47Å; Y160-I164 HydrophobicContact CE2-CG1 4.5Å; Y160-I164 HydrophobicContact CE2-CG2 3.37Å; Y160-I164 WeakPolarHBondContact O-CG1 3.46Å; Y160-I164 PolarHBondContact O-N 3.12Å; F162-I164 PolarHBondContact O-N 2.74Å; F162-I164 VanDerWaalsContact O-N 3.15Å; I164-S166 PolarHBondContact O-N 3.02Å; I164-M213 HydrophobicContact CG2-SD 4.35Å
165D98.9Very high98.8Very high6 Ų631.5 Ų31.53%0.03216%0.164CC..  trans-68.4117.2172.7-166.6-33.6000107.9Q116 L124 R161 F162 R167 D168Q116-D165 PolarHBondContact NE2-OD1 3.5Å; L124-D165 HydrophobicContact CD2-CB 3.96Å; R161-D165 PolarHBondContact O-N 2.84Å; F162-D165 PolarHBondContact O-N 3.4Å; D165-R167 PolarHBondContact O-N 3.3Å; D165-R167 WeakPolarHBondContact OD1-CB 3.39Å; D165-R167 IonicContact OD1-CZ 3.53Å; D165-R167 PolarHBondContact OD1-N 3.32Å; D165-R167 VanDerWaalsContact OD1-N 3.11Å; D165-R167 IonicContact OD1-NE 3.42Å; D165-R167 PolarHBondContact OD1-NE 3.42Å; D165-R167 IonicContact OD1-NH2 2.73Å; D165-R167 IonicContact OD2-CZ 3.5Å; D165-R167 IonicContact OD2-NE 2.87Å; D165-R167 IonicContact OD2-NH2 3.63Å; D165-R167 PolarHBondContact OD2-NH2 2.98Å; D165-D168 HydrophobicContact CB-CB 4.43Å; D165-D168 WeakPolarHBondContact O-CB 3.39Å; D165-D168 PolarHBondContact O-N 2.92Å
166S98.8Very high98.8Very high52 Ų5235.3 Ų35.336%0.36418%0.184SC..THydrogen-bonded Turntrans-61.8-10-176.867.10000114.2Q116 I164Q116-S166 PolarHBondContact NE2-OG 3.23Å; I164-S166 PolarHBondContact O-N 3.02Å
167R98.8Very high98.7Very high77 Ų7738 Ų3829%0.29121%0.211SC..THydrogen-bonded Turntrans-94.4-11.5178.2-55.9169.2-65.3-1792.4112.2L102 N104 H114 D165L102-R167 HydrophobicContact CD1-CB 4.01Å; L102-R167 HydrophobicContact CD2-CB 4.18Å; N104-R167 PolarHBondContact ND2-O 3.12Å; H114-R167 HydrophobicContact CB-CG 3.82Å; D165-R167 PolarHBondContact O-N 3.3Å; D165-R167 WeakPolarHBondContact OD1-CB 3.39Å; D165-R167 IonicContact OD1-CZ 3.53Å; D165-R167 PolarHBondContact OD1-N 3.32Å; D165-R167 VanDerWaalsContact OD1-N 3.11Å; D165-R167 IonicContact OD1-NE 3.42Å; D165-R167 PolarHBondContact OD1-NE 3.42Å; D165-R167 IonicContact OD1-NH2 2.73Å; D165-R167 IonicContact OD2-CZ 3.5Å; D165-R167 IonicContact OD2-NE 2.87Å; D165-R167 IonicContact OD2-NH2 3.63Å; D165-R167 PolarHBondContact OD2-NH2 2.98Å
168D98.9Very high98.7Very high11 Ų1138.3 Ų38.36%0.05921%0.213CC..  trans-85.6131.2174-156.6-87.1000109.2L102 L103 F162 D165 E170 R174L102-D168 HydrophobicContact CD1-CB 3.89Å; L103-D168 PolarHBondContact N-OD2 3.1Å; L103-D168 CarbonylContact O-C 3.58Å; L103-D168 WeakPolarHBondContact O-CA 3.36Å; F162-D168 WeakPolarHBondContact O-CB 3.43Å; D165-D168 HydrophobicContact CB-CB 4.43Å; D165-D168 WeakPolarHBondContact O-CB 3.39Å; D165-D168 PolarHBondContact O-N 2.92Å; D168-E170 PolarHBondContact OD1-N 3.15Å; D168-R174 IonicContact OD1-CZ 2.98Å; D168-R174 IonicContact OD1-NE 2.92Å; D168-R174 PolarHBondContact OD1-NE 3.38Å; D168-R174 IonicContact OD1-NH2 2.86Å; D168-R174 IonicContact OD2-CZ 3.91Å; D168-R174 IonicContact OD2-NE 3.83Å; D168-R174 PolarHBondContact OD2-NE 2.88Å; D168-R174 IonicContact OD2-NH2 3.28Å; D168-R174 PolarHBondContact OD2-NH2 3.42Å
169T98.8Very high98.7Very high56 Ų5640 Ų4034%0.34422%0.224SC..  trans-107.50.2-178.162.90000112.7L103 N104 N105L103-T169 PolarHBondContact O-N 3.02Å; L103-T169 PolarHBondContact O-OG1 3.34Å; N104-T169 WeakPolarHBondContact CA-OG1 3.42Å; N105-T169 WeakPolarHBondContact CB-OG1 3.33Å; N105-T169 PolarHBondContact N-OG1 3.26Å
170E98.8Very high98.6Very high61 Ų6143 Ų4329%0.28524%0.239SC..  trans-106.723.2-173.2-61.9-55.2129.200112.5L103 D168 D172 S173 R174L103-E170 HydrophobicContact CB-CB 3.82Å; L103-E170 HydrophobicContact CB-CG 3.46Å; L103-E170 VanDerWaalsContact CB-CG 3.46Å; L103-E170 HydrophobicContact CD1-CB 4.02Å; L103-E170 HydrophobicContact CD1-CG 4.08Å; L103-E170 HydrophobicContact CG-CG 4.35Å; D168-E170 PolarHBondContact OD1-N 3.15Å; E170-D172 PolarHBondContact O-N 3.08Å; E170-S173 PolarHBondContact O-N 3.46Å; E170-S173 VanDerWaalsContact O-N 3.15Å; E170-R174 WeakPolarHBondContact O-CB 3.44Å; E170-R174 VanDerWaalsContact O-CG 3.28Å; E170-R174 WeakPolarHBondContact O-CG 3.34Å; E170-R174 PolarHBondContact O-N 3.06Å
171T98.7Very high98.6Very high36 Ų3644.4 Ų44.422%0.22126%0.259CS..Hα-helixtrans-49.3-46.8-179.7-56.60000112L163 R174 L175 M213L163-T171 HydrophobicContact CD2-CG2 3.96Å; L163-T171 WeakPolarHBondContact O-CG2 3.31Å; L163-T171 PolarHBondContact O-OG1 3.37Å; T171-R174 WeakPolarHBondContact O-CB 3.44Å; T171-R174 PolarHBondContact O-N 3.14Å; T171-L175 HydrophobicContact CG2-CD1 4.2Å; T171-L175 VanDerWaalsContact O-CG 3.32Å; T171-L175 WeakPolarHBondContact O-CG 3.45Å; T171-L175 PolarHBondContact O-N 3.19Å; T171-M213 HydrophobicContact CG2-CE 3.56Å
172D98.5Very high98.6Very high91 Ų9143.2 Ų43.249%0.48726%0.256SS..Hα-helixtrans-62.9-49.5179.8-81.10.8000112.4E170 R174 L175 D176 R217E170-D172 PolarHBondContact O-N 3.08Å; D172-R174 VanDerWaalsContact C-N 3.27Å; D172-R174 PolarHBondContact O-N 3.32Å; D172-L175 PolarHBondContact O-N 2.86Å; D172-L175 VanDerWaalsContact O-N 3.17Å; D172-D176 VanDerWaalsContact O-CG 3.31Å; D172-D176 PolarHBondContact O-N 2.97Å; D172-R217 VanDerWaalsContact CB-NH1 3.29Å; D172-R217 IonicContact OD1-CZ 2.73Å; D172-R217 IonicContact OD1-NH1 3.98Å; D172-R217 PolarHBondContact OD1-NH1 3.41Å; D172-R217 VanDerWaalsContact OD1-NH1 3.11Å; D172-R217 IonicContact OD2-CZ 3.52Å; D172-R217 IonicContact OD2-NH1 3.64Å; D172-R217 PolarHBondContact OD2-NH1 2.75Å
173S98.5Very high98.6Very high56 Ų5643.2 Ų43.239%0.39226%0.258SS..Hα-helixtrans-61.4-37.2177.1-1750000111.9E170 G177E170-S173 PolarHBondContact O-N 3.46Å; E170-S173 VanDerWaalsContact O-N 3.15Å; S173-G177 PolarHBondContact O-N 3.29Å
174R98.7Very high98.6Very high21 Ų2143 Ų438%0.07926%0.257CS..Hα-helixtrans-64.6-43.7175.2-70.1174.9-173.6-74.25.5111.8I98 K99 Y101 L103 L163 D168 E170 T171 D172 G177 L178I98-R174 PolarHBondContact O-NH1 3.43Å; K99-R174 PolarHBondContact O-NH1 3.01Å; Y101-R174 PolarHBondContact O-NH2 2.82Å; L103-R174 VanDerWaalsContact CG-NH2 3.3Å; L163-R174 HydrophobicContact CD2-CB 3.7Å; D168-R174 IonicContact OD1-CZ 2.98Å; D168-R174 IonicContact OD1-NE 2.92Å; D168-R174 PolarHBondContact OD1-NE 3.38Å; D168-R174 IonicContact OD1-NH2 2.86Å; D168-R174 IonicContact OD2-CZ 3.91Å; D168-R174 IonicContact OD2-NE 3.83Å; D168-R174 PolarHBondContact OD2-NE 2.88Å; D168-R174 IonicContact OD2-NH2 3.28Å; D168-R174 PolarHBondContact OD2-NH2 3.42Å; E170-R174 WeakPolarHBondContact O-CB 3.44Å; E170-R174 VanDerWaalsContact O-CG 3.28Å; E170-R174 WeakPolarHBondContact O-CG 3.34Å; E170-R174 PolarHBondContact O-N 3.06Å; T171-R174 WeakPolarHBondContact O-CB 3.44Å; T171-R174 PolarHBondContact O-N 3.14Å; D172-R174 VanDerWaalsContact C-N 3.27Å; D172-R174 PolarHBondContact O-N 3.32Å; R174-G177 PolarHBondContact O-N 2.98Å; R174-L178 WeakPolarHBondContact O-CG 3.49Å; R174-L178 PolarHBondContact O-N 2.85Å
175L98.7Very high98.5Very high5 Ų545.4 Ų45.43%0.02627%0.266CS..Hα-helixtrans-65.1-39.6178.1-70.7171.8000111.9L163 T171 D172 G177 L178 S179 M213 L214L163-L175 HydrophobicContact CD1-CD2 4.19Å; L163-L175 HydrophobicContact CD2-CD2 3.83Å; L163-L175 HydrophobicContact CD2-CG 3.82Å; T171-L175 HydrophobicContact CG2-CD1 4.2Å; T171-L175 VanDerWaalsContact O-CG 3.32Å; T171-L175 WeakPolarHBondContact O-CG 3.45Å; T171-L175 PolarHBondContact O-N 3.19Å; D172-L175 PolarHBondContact O-N 2.86Å; D172-L175 VanDerWaalsContact O-N 3.17Å; L175-G177 VanDerWaalsContact C-N 3.25Å; L175-G177 PolarHBondContact O-N 3.21Å; L175-L178 PolarHBondContact O-N 3.41Å; L175-S179 PolarHBondContact O-N 3.11Å; L175-S179 PolarHBondContact O-OG 3Å; L175-M213 HydrophobicContact CD1-CB 4.05Å; L175-M213 HydrophobicContact CD1-CE 4.27Å; L175-M213 HydrophobicContact CD2-CB 3.76Å; L175-L214 HydrophobicContact CB-CD2 4.12Å; L175-L214 HydrophobicContact CD2-CD2 3.95Å; L175-L214 HydrophobicContact CD2-CG 4.09Å; L175-L214 VanDerWaalsContact O-CD2 3.31Å; L175-L214 WeakPolarHBondContact O-CD2 3.45Å
176D98.2Very high98.5Very high84 Ų8449.5 Ų49.545%0.44928%0.281SS..Hα-helixtrans-57.1-42.5175.1-67-19.7000111D172 L178 S179 R217D172-D176 VanDerWaalsContact O-CG 3.31Å; D172-D176 PolarHBondContact O-N 2.97Å; D176-L178 PolarHBondContact O-N 3.33Å; D176-S179 PolarHBondContact O-N 3.06Å; D176-R217 VanDerWaalsContact CG-NH2 3.28Å; D176-R217 IonicContact OD1-CZ 3.45Å; D176-R217 VanDerWaalsContact OD1-CZ 3.28Å; D176-R217 IonicContact OD1-NE 2.86Å; D176-R217 PolarHBondContact OD1-NE 3.1Å; D176-R217 IonicContact OD1-NH2 3.5Å; D176-R217 PolarHBondContact OD1-NH2 2.98Å; D176-R217 IonicContact OD2-CZ 3.48Å; D176-R217 IonicContact OD2-NE 3.95Å; D176-R217 IonicContact OD2-NH2 2.69Å; D176-R217 PolarHBondContact OD2-NH2 3.37Å
177G97.4Very high98.5Very high56 Ų5647.7 Ų47.758%0.57727%0.268SS*.THydrogen-bonded Turntrans-70.2-6.8175.800000115.8S173 R174 L175S173-G177 PolarHBondContact O-N 3.29Å; R174-G177 PolarHBondContact O-N 2.98Å; L175-G177 VanDerWaalsContact C-N 3.25Å; L175-G177 PolarHBondContact O-N 3.21Å
178L98.6Very high98.5Very high11 Ų1149.7 Ų49.76%0.05828%0.281CS..THydrogen-bonded Turntrans-114.85.1-177.7-70.7174.6000113.5I98 A159 L163 R174 L175 D176 V184 I210 L214I98-L178 HydrophobicContact CG2-CD2 4.19Å; A159-L178 HydrophobicContact CB-CD1 4.3Å; L163-L178 HydrophobicContact CD1-CD1 4.28Å; R174-L178 WeakPolarHBondContact O-CG 3.49Å; R174-L178 PolarHBondContact O-N 2.85Å; L175-L178 PolarHBondContact O-N 3.41Å; D176-L178 PolarHBondContact O-N 3.33Å; L178-V184 HydrophobicContact CB-CG2 3.89Å; L178-V184 HydrophobicContact CD2-CG2 4.09Å; L178-V184 HydrophobicContact CG-CG2 4.42Å; L178-I210 HydrophobicContact CD1-CG2 4.38Å; L178-L214 HydrophobicContact CB-CD2 4.37Å
179S98Very high98.5Very high43 Ų4352.6 Ų52.630%0.30130%0.302SS..  trans-84.1-5.9-170.9-64.90000114.7L175 D176 L214 N218L175-S179 PolarHBondContact O-N 3.11Å; L175-S179 PolarHBondContact O-OG 3Å; D176-S179 PolarHBondContact O-N 3.06Å; S179-L214 WeakPolarHBondContact OG-CD2 3.37Å; S179-N218 PolarHBondContact OG-ND2 3.16Å
180D98.3Very high98.5Very high67 Ų6753.4 Ų53.436%0.35830%0.303SS..SBendtrans-73.2165.2179.876-84.1000113.2F182 S183 F185D180-F182 PolarHBondContact O-N 3.2Å; D180-F182 VanDerWaalsContact O-N 3.1Å; D180-F182 VanDerWaalsContact OD2-CA 3.31Å; D180-F182 WeakPolarHBondContact OD2-CA 3.5Å; D180-F182 WeakPolarHBondContact OD2-CB 3.41Å; D180-F182 PolarHBondContact OD2-N 3.31Å; D180-S183 WeakPolarHBondContact OD1-CB 3.28Å; D180-S183 PolarHBondContact OD1-OG 3.16Å; D180-S183 PolarHBondContact OD2-N 3.29Å; D180-F185 WeakPolarHBondContact O-CD2 3.49Å
181A98.3Very high98.5Very high66 Ų6655.3 Ų55.355%0.54531%0.313SS..THydrogen-bonded Turntrans-66.4-12.3-175.700000115.1
182F98.6Very high98.5Very high56 Ų5656.6 Ų56.625%0.24632%0.319CS..THydrogen-bonded Turntrans-108.1-50.1-175.5-70.2-95.3000113.4K149 F150 D180 V184 R186K149-F182 HydrophobicContact CB-CB 3.73Å; K149-F182 HydrophobicContact CB-CD1 3.76Å; K149-F182 HydrophobicContact CB-CG 3.88Å; K149-F182 HydrophobicContact CD-CD1 3.85Å; K149-F182 HydrophobicContact CD-CE1 3.91Å; K149-F182 HydrophobicContact CD-CG 4.19Å; K149-F182 HydrophobicContact CD-CZ 4.31Å; K149-F182 HydrophobicContact CG-CD1 4.46Å; F150-F182 WeakPolarHBondContact CD2-O 3.38Å; D180-F182 PolarHBondContact O-N 3.2Å; D180-F182 VanDerWaalsContact O-N 3.1Å; D180-F182 VanDerWaalsContact OD2-CA 3.31Å; D180-F182 WeakPolarHBondContact OD2-CA 3.5Å; D180-F182 WeakPolarHBondContact OD2-CB 3.41Å; D180-F182 PolarHBondContact OD2-N 3.31Å; F182-V184 VanDerWaalsContact C-N 3.29Å; F182-V184 PolarHBondContact O-N 3.36Å; F182-V184 VanDerWaalsContact O-N 3.14Å; F182-R186 HydrophobicContact CB-CG 4.44Å; F182-R186 HydrophobicContact CD1-CG 4.01Å; F182-R186 HydrophobicContact CG-CG 4.49Å
183S98.5Very high98.5Very high16 Ų1652.7 Ų52.711%0.11230%0.298CS..THydrogen-bonded Turntrans-51-47.5-166.7-69.70000113.2F150 I151 D180F150-S183 WeakPolarHBondContact CD2-O 3.37Å; I151-S183 PolarHBondContact N-O 3.46Å; D180-S183 WeakPolarHBondContact OD1-CB 3.28Å; D180-S183 PolarHBondContact OD1-OG 3.16Å; D180-S183 PolarHBondContact OD2-N 3.29Å
184V98.8Very high98.5Very high0 Ų052 Ų520%029%0.292CS..THydrogen-bonded Turntrans-113.7-44-179.1-177.30000112.1L156 L178 F182 R186 C187 I207 I210 K211 L214L156-V184 HydrophobicContact CD2-CG2 3.82Å; L178-V184 HydrophobicContact CB-CG2 3.89Å; L178-V184 HydrophobicContact CD2-CG2 4.09Å; L178-V184 HydrophobicContact CG-CG2 4.42Å; F182-V184 VanDerWaalsContact C-N 3.29Å; F182-V184 PolarHBondContact O-N 3.36Å; F182-V184 VanDerWaalsContact O-N 3.14Å; V184-R186 PolarHBondContact O-N 3.01Å; V184-R186 VanDerWaalsContact O-N 3.13Å; V184-C187 WeakPolarHBondContact O-CB 3.37Å; V184-C187 PolarHBondContact O-N 3.32Å; V184-C187 VanDerWaalsContact O-N 3.1Å; V184-I207 HydrophobicContact CG1-CG2 4.18Å; V184-I210 HydrophobicContact CG1-CG2 4.09Å; V184-I210 HydrophobicContact CG2-CG2 3.96Å; V184-K211 HydrophobicContact CG1-CG 3.84Å; V184-L214 HydrophobicContact CB-CD1 4.19Å; V184-L214 HydrophobicContact CG1-CD1 4.23Å; V184-L214 HydrophobicContact CG2-CD1 4.1Å
185F98.5Very high98.5Very high83 Ų8354 Ų5436%0.36431%0.309SS..THydrogen-bonded Turntrans-74.2-6.2-165-68.2-75.3000115.1D180 C187 K211 L214D180-F185 WeakPolarHBondContact O-CD2 3.49Å; F185-C187 PolarHBondContact O-N 3.45Å; F185-K211 HydrophobicContact CD1-CG 4.49Å; F185-K211 HydrophobicContact CE1-CG 4.15Å; F185-L214 HydrophobicContact CE2-CD1 3.82Å; F185-L214 HydrophobicContact CZ-CB 4.3Å; F185-L214 HydrophobicContact CZ-CD1 3.81Å
186R98.6Very high98.5Very high92 Ų9254.4 Ų54.435%0.34731%0.312SS..THydrogen-bonded Turntrans-73.6-7.6167.8-74.6-73.8174.5-175.3-0.2114.3S142 F150 F182 V184 H188S142-R186 VanDerWaalsContact CB-O 3.27Å; S142-R186 WeakPolarHBondContact CB-O 3.5Å; S142-R186 PolarHBondContact OG-O 3.22Å; F150-R186 HydrophobicContact CB-CB 4.05Å; F150-R186 HydrophobicContact CB-CG 4.49Å; F150-R186 HydrophobicContact CD2-CB 3.66Å; F150-R186 HydrophobicContact CE2-CB 4.21Å; F150-R186 HydrophobicContact CG-CB 3.83Å; F182-R186 HydrophobicContact CB-CG 4.44Å; F182-R186 HydrophobicContact CD1-CG 4.01Å; F182-R186 HydrophobicContact CG-CG 4.49Å; V184-R186 PolarHBondContact O-N 3.01Å; V184-R186 VanDerWaalsContact O-N 3.13Å; R186-H188 PolarHBondContact O-CD2 3.1Å; R186-H188 PolarHBondContact O-N 2.94Å; R186-H188 PolarHBondContact O-NE2 2.86Å
187C98.8Very high98.5Very high13 Ų1351.5 Ų51.59%0.08830%0.298CS..  trans-74.2114.4171.1-1790000111F150 V184 F185 I207 K211F150-C187 HydrophobicContact CE2-CB 4.19Å; F150-C187 HydrophobicContact CZ-CB 4.05Å; V184-C187 WeakPolarHBondContact O-CB 3.37Å; V184-C187 PolarHBondContact O-N 3.32Å; V184-C187 VanDerWaalsContact O-N 3.1Å; F185-C187 PolarHBondContact O-N 3.45Å; C187-I207 HydrophobicContact CB-CD1 4.22Å; C187-I207 HydrophobicContact CB-CG2 3.74Å; C187-K211 PolarHBondContact O-NZ 2.93Å
188H98.6Very high98.6Very high120 Ų12050.5 Ų50.556%0.55628%0.281SS*.  trans-103.823.8178.8-61.3-67.8000113.5R186 I190R186-H188 PolarHBondContact O-CD2 3.1Å; R186-H188 PolarHBondContact O-N 2.94Å; R186-H188 PolarHBondContact O-NE2 2.86Å; H188-I190 HydrophobicContact CB-CD1 4.37Å; H188-I190 HydrophobicContact CB-CG1 4.25Å; H188-I190 PolarHBondContact O-N 3.42Å; H188-I190 VanDerWaalsContact O-N 3.14Å
189S98.4Very high98.6Very high72 Ų7253.8 Ų53.850%0.50330%0.295SS..  trans52.339-179.4-58.20000113.7M191S189-M191 WeakPolarHBondContact O-CG 3.34Å; S189-M191 PolarHBondContact O-N 3.49Å
190I98.7Very high98.6Very high73 Ų7355 Ų5537%0.37431%0.314SS..  trans-66.5-21.8176.5-64.9160.7000111.5P141 H188 N192P141-I190 HydrophobicContact CB-CD1 4.21Å; P141-I190 HydrophobicContact CG-CD1 4.07Å; P141-I190 HydrophobicContact CG-CG2 4.44Å; H188-I190 HydrophobicContact CB-CD1 4.37Å; H188-I190 HydrophobicContact CB-CG1 4.25Å; H188-I190 PolarHBondContact O-N 3.42Å; H188-I190 VanDerWaalsContact O-N 3.14Å; I190-N192 HydrophobicContact CG2-CB 4.41Å; I190-N192 PolarHBondContact O-N 3.14Å
191M98.4Very high98.6Very high101 Ų10152.4 Ų52.450%0.49830%0.3SS..  trans62.31.9173.8-63.6-177.377.300117.4S189 C193 V194 S195 T204S189-M191 WeakPolarHBondContact O-CG 3.34Å; S189-M191 PolarHBondContact O-N 3.49Å; M191-C193 PolarHBondContact O-N 3.49Å; M191-C193 VanDerWaalsContact O-N 3.16Å; M191-V194 PolarHBondContact O-N 2.64Å; M191-S195 PolarHBondContact O-N 2.95Å; M191-T204 HydrophobicContact CG-CG2 4.11Å
192N98.8Very high98.7Very high62 Ų6251 Ų5133%0.33228%0.283SS..Hα-helixtrans-50.4-39.5168.5-82.9-4.5000112.5S139 I190 V194 S195 V196S139-N192 VanDerWaalsContact O-CB 3.29Å; S139-N192 WeakPolarHBondContact O-CB 3.39Å; S139-N192 PolarHBondContact O-ND2 3.13Å; I190-N192 HydrophobicContact CG2-CB 4.41Å; I190-N192 PolarHBondContact O-N 3.14Å; N192-V194 PolarHBondContact O-N 2.92Å; N192-S195 PolarHBondContact O-N 3.17Å; N192-S195 PolarHBondContact O-OG 3.17Å; N192-V196 VanDerWaalsContact O-CG2 3.31Å; N192-V196 WeakPolarHBondContact O-CG2 3.44Å; N192-V196 PolarHBondContact O-N 3.03Å
193C98.8Very high98.7Very high9 Ų948.4 Ų48.46%0.06127%0.272CS..Hα-helixtrans-57.9-33.8179.7500000114C136 P153 M191 P203 T204C136-C193 HydrophobicContact CB-CB 3.75Å; P153-C193 HydrophobicContact CB-CB 3.54Å; P153-C193 HydrophobicContact CG-CB 3.78Å; M191-C193 PolarHBondContact O-N 3.49Å; M191-C193 VanDerWaalsContact O-N 3.16Å; C193-P203 HydrophobicContact CB-CB 4.25Å; C193-P203 HydrophobicContact CB-CG 4.21Å; C193-T204 PolarHBondContact SG-OG1 3.49Å; C193-T204 VanDerWaalsContact SG-OG1 3.33Å
194V98.8Very high98.7Very high41 Ų4148.7 Ų48.725%0.24827%0.273CS..Hα-helixtrans-79-40.5179.8-174.40000110.5M191 N192 V196 C197 N202 T204M191-V194 PolarHBondContact O-N 2.64Å; N192-V194 PolarHBondContact O-N 2.92Å; V194-V196 PolarHBondContact O-N 3.32Å; V194-C197 PolarHBondContact O-N 3.4Å; V194-N202 VanDerWaalsContact CG2-OD1 3.26Å; V194-N202 WeakPolarHBondContact CG2-OD1 3.44Å; V194-T204 WeakPolarHBondContact CG2-OG1 3.47Å
195S98.6Very high98.7Very high65 Ų6556.3 Ų56.346%0.45530%0.302SS..Hα-helixtrans-70.9-15.2-175.369.50000114.5K51 M191 N192K51-S195 WeakPolarHBondContact CE-O 3.36Å; K51-S195 PolarHBondContact NZ-O 3.25Å; M191-S195 PolarHBondContact O-N 2.95Å; N192-S195 PolarHBondContact O-N 3.17Å; N192-S195 PolarHBondContact O-OG 3.17Å
196V98.8Very high98.7Very high12 Ų1252.5 Ų52.57%0.07329%0.286CS..THydrogen-bonded Turntrans-115.4-2.4-178-54.10000114.2K51 N52 C135 C136 S139 N192 V194 P198K51-V196 HydrophobicContact CG-CG1 4.12Å; N52-V196 HydrophobicContact CB-CB 4.12Å; N52-V196 HydrophobicContact CB-CG1 4.25Å; N52-V196 HydrophobicContact CB-CG2 4.45Å; C135-V196 HydrophobicContact CB-CG2 4.31Å; C135-V196 WeakPolarHBondContact O-CG2 3.36Å; C136-V196 HydrophobicContact CB-CG2 4.46Å; S139-V196 WeakPolarHBondContact OG-CG2 3.18Å; N192-V196 VanDerWaalsContact O-CG2 3.31Å; N192-V196 WeakPolarHBondContact O-CG2 3.44Å; N192-V196 PolarHBondContact O-N 3.03Å; V194-V196 PolarHBondContact O-N 3.32Å; V196-P198 WeakPolarHBondContact O-CD 3.25Å; V196-P198 VanDerWaalsContact O-N 3.15Å
197C98.9Very high98.7Very high24 Ų2448.3 Ų48.316%0.16227%0.27CS..  trans-67.7114.5-178.9-1750000109.8V194 K199 G200 L201V194-C197 PolarHBondContact O-N 3.4Å; C197-K199 PolarHBondContact O-N 3.25Å; C197-K199 VanDerWaalsContact O-N 3.07Å; C197-G200 PolarHBondContact O-N 2.89Å; C197-L201 PolarHBondContact SG-N 3.42Å; C197-L201 VanDerWaalsContact SG-N 3.35Å
198P98.8Very high98.7Very high34 Ų3449.2 Ų49.222%0.22128%0.282CS..THydrogen-bonded Turntrans-68.9-11.1-177.229.5-36.4000113L54 I57 I131 V196L54-P198 HydrophobicContact CD1-CB 3.8Å; L54-P198 HydrophobicContact CD1-CG 3.87Å; L54-P198 HydrophobicContact CD2-CG 4.47Å; L54-P198 HydrophobicContact CG-CB 3.81Å; L54-P198 HydrophobicContact CG-CG 3.87Å; I57-P198 HydrophobicContact CD1-CB 4.19Å; I131-P198 HydrophobicContact CD1-CG 4.19Å; V196-P198 WeakPolarHBondContact O-CD 3.25Å; V196-P198 VanDerWaalsContact O-N 3.15Å
199K98.8Very high98.7Very high81 Ų8147.3 Ų47.335%0.35227%0.273SS..THydrogen-bonded Turntrans-105.36.2177.9-51.3-52.4-63.8-177.80112.8G39 I131 C197 L201G39-K199 WeakPolarHBondContact O-CD 3.3Å; G39-K199 PolarHBondContact O-NZ 2.84Å; I131-K199 HydrophobicContact CD1-CD 3.93Å; I131-K199 HydrophobicContact CD1-CG 4.02Å; I131-K199 HydrophobicContact CG1-CD 4.38Å; I131-K199 HydrophobicContact CG1-CG 3.98Å; I131-K199 HydrophobicContact CG2-CD 4.23Å; I131-K199 HydrophobicContact CG2-CG 4.11Å; C197-K199 PolarHBondContact O-N 3.25Å; C197-K199 VanDerWaalsContact O-N 3.07Å; K199-L201 HydrophobicContact CB-CD1 4.36Å; K199-L201 HydrophobicContact CB-CD2 4.21Å; K199-L201 HydrophobicContact CB-CG 3.93Å; K199-L201 WeakPolarHBondContact O-CD2 3.35Å; K199-L201 PolarHBondContact O-N 3Å
200G98.6Very high98.8Very high67 Ų6743.9 Ų43.969%0.69125%0.249SC*.  trans67.917.8179.200000114.9C197C197-G200 PolarHBondContact O-N 2.89Å
201L98.8Very high98.8Very high13 Ų1342.9 Ų42.97%0.06824%0.242CC..  trans-76.5159.4-179.7-45.5-175.7000110.9E129 C130 L157 C197 K199 P203E129-L201 HydrophobicContact CB-CD2 4.33Å; C130-L201 HydrophobicContact CB-CD1 4.01Å; L157-L201 HydrophobicContact CD2-CB 4.18Å; L157-L201 HydrophobicContact CD2-CD1 3.73Å; C197-L201 PolarHBondContact SG-N 3.42Å; C197-L201 VanDerWaalsContact SG-N 3.35Å; K199-L201 HydrophobicContact CB-CD1 4.36Å; K199-L201 HydrophobicContact CB-CD2 4.21Å; K199-L201 HydrophobicContact CB-CG 3.93Å; K199-L201 WeakPolarHBondContact O-CD2 3.35Å; K199-L201 PolarHBondContact O-N 3Å; L201-P203 VanDerWaalsContact O-CD 3.3Å; L201-P203 WeakPolarHBondContact O-CD 3.19Å
202N98.9Very high98.8Very high37 Ų3741.6 Ų41.620%0.19824%0.243CC..  trans-121.483.7-176.6-166.6-26.8000112.8V194 T204 R205 A206V194-N202 VanDerWaalsContact CG2-OD1 3.26Å; V194-N202 WeakPolarHBondContact CG2-OD1 3.44Å; N202-T204 VanDerWaalsContact C-N 3.26Å; N202-T204 PolarHBondContact O-N 3.1Å; N202-T204 PolarHBondContact OD1-N 3.37Å; N202-R205 HydrophobicContact CB-CB 4.13Å; N202-R205 PolarHBondContact O-N 3.14Å; N202-R205 PolarHBondContact OD1-N 3.33Å; N202-A206 PolarHBondContact O-N 3.15Å
203P98.9Very high98.8Very high1 Ų140.8 Ų40.81%0.00624%0.238CC..Hα-helixtrans-59.1-33.6174.7-26.535.7000113.9P153 C193 L201 R205 A206 I207P153-P203 HydrophobicContact CB-CB 3.51Å; P153-P203 HydrophobicContact CB-CG 4.02Å; C193-P203 HydrophobicContact CB-CB 4.25Å; C193-P203 HydrophobicContact CB-CG 4.21Å; L201-P203 VanDerWaalsContact O-CD 3.3Å; L201-P203 WeakPolarHBondContact O-CD 3.19Å; P203-R205 VanDerWaalsContact C-N 3.34Å; P203-R205 PolarHBondContact O-N 2.67Å; P203-A206 PolarHBondContact O-N 3.2Å; P203-I207 WeakPolarHBondContact O-CB 3.44Å; P203-I207 WeakPolarHBondContact O-CD1 3.37Å; P203-I207 WeakPolarHBondContact O-CG1 3.32Å; P203-I207 PolarHBondContact O-N 3.13Å
204T98.8Very high98.8Very high22 Ų2240.6 Ų40.614%0.13524%0.236CC..Hα-helixtrans-62-42.9179.1-590000111.4M191 C193 V194 N202 I207 G208M191-T204 HydrophobicContact CG-CG2 4.11Å; C193-T204 PolarHBondContact SG-OG1 3.49Å; C193-T204 VanDerWaalsContact SG-OG1 3.33Å; V194-T204 WeakPolarHBondContact CG2-OG1 3.47Å; N202-T204 VanDerWaalsContact C-N 3.26Å; N202-T204 PolarHBondContact O-N 3.1Å; N202-T204 PolarHBondContact OD1-N 3.37Å; T204-I207 PolarHBondContact O-N 3.17Å; T204-G208 PolarHBondContact O-N 3.31Å
205R98.7Very high98.7Very high161 Ų16143.6 Ų43.661%0.60825%0.25SS*.Hα-helixtrans-62.9-48.4176.1-172.4-172.6-61.2149.6-1.1111.4N202 P203 I207 G208 H209N202-R205 HydrophobicContact CB-CB 4.13Å; N202-R205 PolarHBondContact O-N 3.14Å; N202-R205 PolarHBondContact OD1-N 3.33Å; P203-R205 VanDerWaalsContact C-N 3.34Å; P203-R205 PolarHBondContact O-N 2.67Å; R205-I207 VanDerWaalsContact C-N 3.34Å; R205-I207 PolarHBondContact O-N 2.98Å; R205-G208 WeakPolarHBondContact O-CA 3.38Å; R205-G208 PolarHBondContact O-N 3.39Å; R205-G208 VanDerWaalsContact O-N 3.08Å; R205-H209 PolarHBondContact O-CD2 2.99Å; R205-H209 VanDerWaalsContact O-CD2 3.26Å; R205-H209 PolarHBondContact O-N 3.35Å
206A98.9Very high98.7Very high3 Ų348.3 Ų48.33%0.02527%0.265CS..Hα-helixtrans-58-45.6177.500000112L127 L157 Y160 N202 P203 G208 H209 I210L127-A206 HydrophobicContact CD2-CB 4.29Å; L157-A206 HydrophobicContact CD1-CB 3.7Å; Y160-A206 HydrophobicContact CD1-CB 3.74Å; Y160-A206 HydrophobicContact CG-CB 4.1Å; N202-A206 PolarHBondContact O-N 3.15Å; P203-A206 PolarHBondContact O-N 3.2Å; A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 2.88Å; A206-H209 PolarHBondContact O-N 3.34Å; A206-H209 VanDerWaalsContact O-N 3.15Å; A206-I210 WeakPolarHBondContact O-CG1 3.27Å; A206-I210 PolarHBondContact O-N 2.97Å
207I98.9Very high98.4Very high3 Ų352 Ų522%0.01528%0.278CS..Hα-helixtrans-61.8-37.7175.8-65.6165000111.5L156 V184 C187 P203 T204 R205 H209 I210 K211L156-I207 HydrophobicContact CB-CD1 4.19Å; L156-I207 HydrophobicContact CB-CG1 3.65Å; L156-I207 HydrophobicContact CD1-CD1 3.81Å; L156-I207 HydrophobicContact CD1-CG1 3.69Å; L156-I207 HydrophobicContact CD1-CG2 4.45Å; L156-I207 HydrophobicContact CG-CG1 4.3Å; V184-I207 HydrophobicContact CG1-CG2 4.18Å; C187-I207 HydrophobicContact CB-CD1 4.22Å; C187-I207 HydrophobicContact CB-CG2 3.74Å; P203-I207 WeakPolarHBondContact O-CB 3.44Å; P203-I207 WeakPolarHBondContact O-CD1 3.37Å; P203-I207 WeakPolarHBondContact O-CG1 3.32Å; P203-I207 PolarHBondContact O-N 3.13Å; T204-I207 PolarHBondContact O-N 3.17Å; R205-I207 VanDerWaalsContact C-N 3.34Å; R205-I207 PolarHBondContact O-N 2.98Å; I207-H209 VanDerWaalsContact C-N 3.35Å; I207-I210 PolarHBondContact O-N 3.22Å; I207-K211 WeakPolarHBondContact O-CG 3.31Å; I207-K211 PolarHBondContact O-N 2.96Å
208G98.7Very high98Very high33 Ų3355.1 Ų55.134%0.3429%0.293SS..Hα-helixtrans-56.7-47.6172.900000112.1T204 R205 A206 K211 S212T204-G208 PolarHBondContact O-N 3.31Å; R205-G208 WeakPolarHBondContact O-CA 3.38Å; R205-G208 PolarHBondContact O-N 3.39Å; R205-G208 VanDerWaalsContact O-N 3.08Å; A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 2.88Å; G208-K211 PolarHBondContact O-N 3.26Å; G208-S212 PolarHBondContact O-N 3.38Å; G208-S212 PolarHBondContact O-OG 3.11Å
209H98.8Very high97.5Very high79 Ų7959.6 Ų59.637%0.36633%0.333SS..Hα-helixtrans-64-40.8176.7-66-57.8000113Y160 R205 A206 I207 K211 S212 M213Y160-H209 HydrophobicContact CD2-CB 4.03Å; Y160-H209 HydrophobicContact CE1-CB 4.03Å; Y160-H209 AromaticContact CE1-CD2 3.76Å; Y160-H209 HydrophobicContact CE2-CB 3.28Å; Y160-H209 AromaticContact CZ-CD2 3.68Å; Y160-H209 AromaticContact CZ-CG 3.63Å; Y160-H209 WeakPolarHBondContact OH-CB 3.37Å; Y160-H209 PolarHBondContact OH-CD2 2.97Å; Y160-H209 VanDerWaalsContact OH-CG 3.28Å; R205-H209 PolarHBondContact O-CD2 2.99Å; R205-H209 VanDerWaalsContact O-CD2 3.26Å; R205-H209 PolarHBondContact O-N 3.35Å; A206-H209 PolarHBondContact O-N 3.34Å; A206-H209 VanDerWaalsContact O-N 3.15Å; I207-H209 VanDerWaalsContact C-N 3.35Å; H209-K211 VanDerWaalsContact C-N 3.31Å; H209-K211 PolarHBondContact O-N 2.54Å; H209-S212 WeakPolarHBondContact O-CB 3.34Å; H209-S212 PolarHBondContact O-N 3Å; H209-M213 WeakPolarHBondContact O-CG 3.41Å; H209-M213 PolarHBondContact O-N 3.1Å
210I98.8Very high97.4Very high0 Ų058.5 Ų58.50%033%0.332CS..Hα-helixtrans-58.4-45.6174.1-60.9172.9000110.3L156 A159 Y160 L163 L178 V184 A206 I207 S212 M213 L214L156-I210 HydrophobicContact CB-CD1 4.12Å; L156-I210 HydrophobicContact CD2-CD1 4.14Å; L156-I210 WeakPolarHBondContact O-CD1 3.36Å; A159-I210 HydrophobicContact CB-CD1 4.37Å; Y160-I210 HydrophobicContact CD2-CG1 3.83Å; Y160-I210 HydrophobicContact CG-CG1 4.25Å; L163-I210 HydrophobicContact CD1-CD1 4.36Å; L163-I210 HydrophobicContact CD1-CG1 3.86Å; L163-I210 HydrophobicContact CD1-CG2 4.32Å; L178-I210 HydrophobicContact CD1-CG2 4.38Å; V184-I210 HydrophobicContact CG1-CG2 4.09Å; V184-I210 HydrophobicContact CG2-CG2 3.96Å; A206-I210 WeakPolarHBondContact O-CG1 3.27Å; A206-I210 PolarHBondContact O-N 2.97Å; I207-I210 PolarHBondContact O-N 3.22Å; I210-S212 VanDerWaalsContact C-N 3.31Å; I210-S212 PolarHBondContact O-N 3.39Å; I210-M213 PolarHBondContact O-N 3.42Å; I210-M213 VanDerWaalsContact O-N 3.17Å; I210-L214 HydrophobicContact CG2-CD1 3.93Å; I210-L214 HydrophobicContact CG2-CG 4.28Å; I210-L214 WeakPolarHBondContact O-CG 3.08Å; I210-L214 PolarHBondContact O-N 3.14Å
211K98.7Very high97.3Very high52 Ų5258.1 Ų58.123%0.22631%0.313CS..Hα-helixtrans-60-40.9177.2-71.9179.8178.1-175.70111.9V184 F185 C187 I207 G208 H209 L214 L215V184-K211 HydrophobicContact CG1-CG 3.84Å; F185-K211 HydrophobicContact CD1-CG 4.49Å; F185-K211 HydrophobicContact CE1-CG 4.15Å; C187-K211 PolarHBondContact O-NZ 2.93Å; I207-K211 WeakPolarHBondContact O-CG 3.31Å; I207-K211 PolarHBondContact O-N 2.96Å; G208-K211 PolarHBondContact O-N 3.26Å; H209-K211 VanDerWaalsContact C-N 3.31Å; H209-K211 PolarHBondContact O-N 2.54Å; K211-L214 PolarHBondContact O-N 3.36Å; K211-L215 WeakPolarHBondContact O-CG 3.35Å; K211-L215 PolarHBondContact O-N 2.86Å
212S98.7Very high97.3Very high75 Ų7560.6 Ų60.652%0.52433%0.326SS..Hα-helixtrans-61.4-43.6174.2-61.90000112.3G208 H209 I210 L215 Q216G208-S212 PolarHBondContact O-N 3.38Å; G208-S212 PolarHBondContact O-OG 3.11Å; H209-S212 WeakPolarHBondContact O-CB 3.34Å; H209-S212 PolarHBondContact O-N 3Å; I210-S212 VanDerWaalsContact C-N 3.31Å; I210-S212 PolarHBondContact O-N 3.39Å; S212-L215 PolarHBondContact O-N 2.98Å; S212-Q216 WeakPolarHBondContact O-CB 3.44Å; S212-Q216 PolarHBondContact O-N 2.85Å
213M98.7Very high97.2Very high45 Ų4561.9 Ų61.922%0.22233%0.334CS..Hα-helixtrans-64.5-40.7177.2-65.6174.474.800112.1Y160 L163 I164 T171 L175 H209 I210 Q216 R217Y160-M213 HydrophobicContact CD2-SD 4.39Å; Y160-M213 HydrophobicContact CE2-SD 3.96Å; L163-M213 HydrophobicContact CB-CE 4.01Å; L163-M213 HydrophobicContact CB-SD 4.26Å; L163-M213 HydrophobicContact CD2-CE 4.3Å; I164-M213 HydrophobicContact CG2-SD 4.35Å; T171-M213 HydrophobicContact CG2-CE 3.56Å; L175-M213 HydrophobicContact CD1-CB 4.05Å; L175-M213 HydrophobicContact CD1-CE 4.27Å; L175-M213 HydrophobicContact CD2-CB 3.76Å; H209-M213 WeakPolarHBondContact O-CG 3.41Å; H209-M213 PolarHBondContact O-N 3.1Å; I210-M213 PolarHBondContact O-N 3.42Å; I210-M213 VanDerWaalsContact O-N 3.17Å; M213-Q216 PolarHBondContact O-N 3.32Å; M213-R217 WeakPolarHBondContact O-CB 3.23Å; M213-R217 PolarHBondContact O-N 3.49Å; M213-R217 VanDerWaalsContact O-N 3.1Å
214L98.5Very high97Very high4 Ų465.8 Ų65.82%0.02135%0.354CS..Hα-helixtrans-62.7-42.8175.7-73169.5000111.9L175 L178 S179 V184 F185 I210 K211 R217 N218L175-L214 HydrophobicContact CB-CD2 4.12Å; L175-L214 HydrophobicContact CD2-CD2 3.95Å; L175-L214 HydrophobicContact CD2-CG 4.09Å; L175-L214 VanDerWaalsContact O-CD2 3.31Å; L175-L214 WeakPolarHBondContact O-CD2 3.45Å; L178-L214 HydrophobicContact CB-CD2 4.37Å; S179-L214 WeakPolarHBondContact OG-CD2 3.37Å; V184-L214 HydrophobicContact CB-CD1 4.19Å; V184-L214 HydrophobicContact CG1-CD1 4.23Å; V184-L214 HydrophobicContact CG2-CD1 4.1Å; F185-L214 HydrophobicContact CE2-CD1 3.82Å; F185-L214 HydrophobicContact CZ-CB 4.3Å; F185-L214 HydrophobicContact CZ-CD1 3.81Å; I210-L214 HydrophobicContact CG2-CD1 3.93Å; I210-L214 HydrophobicContact CG2-CG 4.28Å; I210-L214 WeakPolarHBondContact O-CG 3.08Å; I210-L214 PolarHBondContact O-N 3.14Å; K211-L214 PolarHBondContact O-N 3.36Å; L214-R217 PolarHBondContact O-N 3.33Å; L214-N218 WeakPolarHBondContact O-CB 3.4Å; L214-N218 PolarHBondContact O-N 2.98Å
215L98Very high96.9Very high105 Ų10568.7 Ų68.755%0.5537%0.369SS..Hα-helixtrans-64.7-45.6174.7-71.2174.1000111.5K211 S212 R217 N218 A219K211-L215 WeakPolarHBondContact O-CG 3.35Å; K211-L215 PolarHBondContact O-N 2.86Å; S212-L215 PolarHBondContact O-N 2.98Å; L215-R217 PolarHBondContact O-N 2.92Å; L215-R217 VanDerWaalsContact O-N 3.16Å; L215-N218 PolarHBondContact O-N 2.73Å; L215-A219 HydrophobicContact CD2-CB 4.35Å; L215-A219 VanDerWaalsContact O-CB 3.23Å; L215-A219 WeakPolarHBondContact O-CB 3.31Å; L215-A219 PolarHBondContact O-N 2.9Å
216Q97.4Very high96.8Very high164 Ų16462.1 Ų62.177%0.76635%0.352SS*.Hα-helixtrans-59.8-27.9179.3-176.259.256.100113.2S212 M213S212-Q216 WeakPolarHBondContact O-CB 3.44Å; S212-Q216 PolarHBondContact O-N 2.85Å; M213-Q216 PolarHBondContact O-N 3.32Å
217R94Very high96.6Very high88 Ų8866.6 Ų66.633%0.33238%0.377SS..Hα-helixtrans-89.3-39.1-179.9-173.5179171.469.3-0.7113.4D172 D176 M213 L214 L215D172-R217 VanDerWaalsContact CB-NH1 3.29Å; D172-R217 IonicContact OD1-CZ 2.73Å; D172-R217 IonicContact OD1-NH1 3.98Å; D172-R217 PolarHBondContact OD1-NH1 3.41Å; D172-R217 VanDerWaalsContact OD1-NH1 3.11Å; D172-R217 IonicContact OD2-CZ 3.52Å; D172-R217 IonicContact OD2-NH1 3.64Å; D172-R217 PolarHBondContact OD2-NH1 2.75Å; D176-R217 VanDerWaalsContact CG-NH2 3.28Å; D176-R217 IonicContact OD1-CZ 3.45Å; D176-R217 VanDerWaalsContact OD1-CZ 3.28Å; D176-R217 IonicContact OD1-NE 2.86Å; D176-R217 PolarHBondContact OD1-NE 3.1Å; D176-R217 IonicContact OD1-NH2 3.5Å; D176-R217 PolarHBondContact OD1-NH2 2.98Å; D176-R217 IonicContact OD2-CZ 3.48Å; D176-R217 IonicContact OD2-NE 3.95Å; D176-R217 IonicContact OD2-NH2 2.69Å; D176-R217 PolarHBondContact OD2-NH2 3.37Å; M213-R217 WeakPolarHBondContact O-CB 3.23Å; M213-R217 PolarHBondContact O-N 3.49Å; M213-R217 VanDerWaalsContact O-N 3.1Å; L214-R217 PolarHBondContact O-N 3.33Å; L215-R217 PolarHBondContact O-N 2.92Å; L215-R217 VanDerWaalsContact O-N 3.16Å
218N90.7Very high96.5Very high90 Ų9071.9 Ų71.948%0.48141%0.407SS..Hα-helixtrans-117.30.5-164.6-61.4-23.2000115.1S179 L214 L215S179-N218 PolarHBondContact OG-ND2 3.16Å; L214-N218 WeakPolarHBondContact O-CB 3.4Å; L214-N218 PolarHBondContact O-N 2.98Å; L215-N218 PolarHBondContact O-N 2.73Å
219A86.5Confident96.3Very high128 Ų12875.5 Ų75.5100%1.05841%0.413SS*.  trans-110.90176.300000111L215L215-A219 HydrophobicContact CD2-CB 4.35Å; L215-A219 VanDerWaalsContact O-CB 3.23Å; L215-A219 WeakPolarHBondContact O-CB 3.31Å; L215-A219 PolarHBondContact O-N 2.9Å

Retrieved 219 of 219 residues in 210.1 ms (Link to these results)

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