A0A087Y3Y1_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11

AlphaFold DB , UniProt , Accession A0A087Y3Y1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 141 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1A34.6Very low59.8Low143 Ų143114.9 Ų114.9100%1.18264%0.637SS**  0128000000107.8
2P34.2Very low61.9Low121 Ų121105.9 Ų105.979%0.78659%0.588SS**  trans-62142.7176.827.5-32.4000109.1R4P2-R4 PolarHBondContact O-N 3.08Å
3P46.2Very low63.7Low120 Ų120103.8 Ų103.878%0.77958%0.581SS**  trans-60.6129.1179.224.9-31.3000108.7I5P3-I5 PolarHBondContact O-N 3.36Å
4R46.8Very low65.3Low236 Ų23698 Ų9889%0.89155%0.548SS*.  trans-53.4109.4172.5-167.9-177.6-74.3166.7-5.2106.5P2 V6P2-R4 PolarHBondContact O-N 3.08Å; R4-V6 PolarHBondContact O-N 3.4Å
5I49.5Very low66.3Low159 Ų15992.4 Ų92.482%0.81552%0.521SS*.  trans-56.4110.2178.2-61.5179.9000105.7P3 M7P3-I5 PolarHBondContact O-N 3.36Å; I5-M7 PolarHBondContact O-N 3.35Å; I5-M7 VanDerWaalsContact O-N 3.16Å
6V53.6Low67.4Low113 Ų11390.3 Ų90.369%0.68551%0.511SS*.PPolyproline II helixtrans-60.7118.8176.1177.80000105.5R4 G8R4-V6 PolarHBondContact O-N 3.4Å; V6-G8 PolarHBondContact O-N 2.9Å
7M59Low68.6Low104 Ų10490.9 Ų90.951%0.51251%0.512SS..PPolyproline II helixtrans-52.2116.5173-151.7168.7-61.600107.5I5 D11 V12 I24I5-M7 PolarHBondContact O-N 3.35Å; I5-M7 VanDerWaalsContact O-N 3.16Å; M7-D11 HydrophobicContact CG-CB 4.01Å; M7-V12 HydrophobicContact CG-CG2 4.41Å; M7-V12 HydrophobicContact SD-CG2 4.33Å; M7-I24 WeakPolarHBondContact O-CD1 3.29Å
8G74.9Confident69.7Low25 Ų2586.9 Ų86.926%0.25849%0.491SS..PPolyproline II helixtrans-72.2155.4-174.500000110.6V6 W10 D11V6-G8 PolarHBondContact O-N 2.9Å; G8-W10 PolarHBondContact O-N 3.04Å; G8-D11 WeakPolarHBondContact CA-OD2 3.25Å; G8-D11 PolarHBondContact N-OD2 2.83Å; G8-D11 WeakPolarHBondContact O-CB 3.48Å; G8-D11 PolarHBondContact O-N 3.39Å
9Y84.3Confident70.9Confident24 Ų2488.7 Ų88.79%0.09450%0.504CS..THydrogen-bonded Turntrans-52.3-32.1176.7179.3-99.8000113.2K21 I24 A25 F70 Y90Y9-K21 HydrophobicContact CD2-CG 4.46Å; Y9-K21 HydrophobicContact CE2-CB 4.35Å; Y9-K21 HydrophobicContact CE2-CG 4.3Å; Y9-K21 PolarHBondContact O-NZ 3.33Å; Y9-I24 HydrophobicContact CD2-CG2 4.28Å; Y9-A25 HydrophobicContact CE2-CB 4.3Å; Y9-F70 WeakPolarHBondContact OH-CE1 3.44Å; Y9-Y90 HydrophobicContact CE1-CE1 4.05Å; Y9-Y90 WeakPolarHBondContact CE1-OH 3.34Å; Y9-Y90 PolarHBondContact OH-OH 3.44Å
10W88.1Confident71.9Confident105 Ų10588.2 Ų88.240%0.39850%0.497SS..THydrogen-bonded Turntrans-87.4-9.4179.6-60.2113.6000114.8G8 Y90 K126 K129G8-W10 PolarHBondContact O-N 3.04Å; W10-Y90 AromaticContact CH2-CE1 3.79Å; W10-Y90 HydrophobicContact CH2-CE1 3.79Å; W10-Y90 HydrophobicContact CZ3-CE1 4.16Å; W10-Y90 AromaticContact CZ3-CZ 3.97Å; W10-Y90 VanDerWaalsContact CZ3-OH 3.24Å; W10-Y90 WeakPolarHBondContact CZ3-OH 3.45Å; W10-K126 HydrophobicContact CZ3-CD 4.27Å; W10-K129 HydrophobicContact CD2-CD 4.42Å; W10-K129 HydrophobicContact CD2-CG 4.29Å; W10-K129 HydrophobicContact CE3-CG 3.99Å; W10-K129 HydrophobicContact CH2-CB 4.22Å; W10-K129 HydrophobicContact CH2-CG 4.27Å; W10-K129 HydrophobicContact CZ3-CB 4.35Å; W10-K129 HydrophobicContact CZ3-CG 3.99Å
11D86.8Confident72.7Confident114 Ų11484 Ų8461%0.6147%0.473SS*.THydrogen-bonded Turntrans-83.4-23.1179.2-60.4-32.8000111.4M7 G8M7-D11 HydrophobicContact CG-CB 4.01Å; G8-D11 WeakPolarHBondContact CA-OD2 3.25Å; G8-D11 PolarHBondContact N-OD2 2.83Å; G8-D11 WeakPolarHBondContact O-CB 3.48Å; G8-D11 PolarHBondContact O-N 3.39Å
12V85.1Confident75.6Confident7 Ų777.9 Ų77.94%0.04242%0.421CS..SBendtrans-83.5131.9174.3-174.80000109.3M7 D17 E20 K21 I24M7-V12 HydrophobicContact CG-CG2 4.41Å; M7-V12 HydrophobicContact SD-CG2 4.33Å; V12-D17 HydrophobicContact CG1-CB 3.92Å; V12-E20 HydrophobicContact CG2-CG 4.47Å; V12-K21 HydrophobicContact CB-CD 4.36Å; V12-K21 HydrophobicContact CB-CG 3.91Å; V12-K21 HydrophobicContact CG1-CD 4.17Å; V12-K21 HydrophobicContact CG1-CG 3.88Å; V12-K21 WeakPolarHBondContact O-CE 3.38Å; V12-K21 PolarHBondContact O-NZ 3.38Å; V12-I24 HydrophobicContact CG2-CD1 4.44Å
13P85.3Confident78.4Confident78 Ų7879.3 Ų79.351%0.50641%0.411SS..PPolyproline II helixtrans-61.1148.9176.7-8.918000112.1T16 K21P13-T16 HydrophobicContact CB-CG2 4.44Å; P13-T16 WeakPolarHBondContact CB-OG1 3.44Å; P13-T16 WeakPolarHBondContact CD-OG1 3.31Å; P13-T16 WeakPolarHBondContact CG-OG1 3.5Å; P13-T16 PolarHBondContact O-OG1 3.46Å; P13-K21 VanDerWaalsContact C-CE 3.5Å; P13-K21 WeakPolarHBondContact O-CE 3.46Å
14E85.5Confident80.6Confident23 Ų2374.6 Ų74.611%0.10738%0.379CS..THydrogen-bonded Turntrans-68.6140173.5-64.1-56.4142.200111.1T16 K21 P84 Y90E14-T16 VanDerWaalsContact C-N 3.26Å; E14-T16 PolarHBondContact O-N 3.41Å; E14-K21 IonicContact OE1-NZ 2.73Å; E14-K21 PolarHBondContact OE1-NZ 3.09Å; E14-K21 IonicContact OE2-NZ 3.83Å; E14-P84 HydrophobicContact CB-CB 3.94Å; E14-P84 VanDerWaalsContact CB-O 3.27Å; E14-P84 WeakPolarHBondContact CB-O 2.91Å; E14-Y90 VanDerWaalsContact CD-OH 3.26Å; E14-Y90 PolarHBondContact OE1-OH 3.39Å; E14-Y90 WeakPolarHBondContact OE2-CE2 3.48Å; E14-Y90 PolarHBondContact OE2-OH 2.89Å
15G80Confident82.8Confident14 Ų1463.7 Ų63.714%0.14434%0.339CS..THydrogen-bonded Turntrans79.6-3.1-17900000115.4Q79G15-Q79 VanDerWaalsContact O-CG 3.28Å; G15-Q79 WeakPolarHBondContact O-CG 3.39Å
16T84.6Confident85Confident59 Ų5957.2 Ų57.236%0.36231%0.307SS..SBendtrans-113.8160.817367.20000111.4P13 E14 C18P13-T16 HydrophobicContact CB-CG2 4.44Å; P13-T16 WeakPolarHBondContact CB-OG1 3.44Å; P13-T16 WeakPolarHBondContact CD-OG1 3.31Å; P13-T16 WeakPolarHBondContact CG-OG1 3.5Å; P13-T16 PolarHBondContact O-OG1 3.46Å; E14-T16 VanDerWaalsContact C-N 3.26Å; E14-T16 PolarHBondContact O-N 3.41Å; T16-C18 VanDerWaalsContact C-N 3.28Å; T16-C18 PolarHBondContact O-N 3.23Å; T16-C18 VanDerWaalsContact O-N 3.12Å
17D87.1Confident87Confident101 Ų10156.9 Ų56.954%0.5430%0.296SS..  trans46.747.7173.5-57.5-60.5000113.9V12 V19 E20 K21V12-D17 HydrophobicContact CG1-CB 3.92Å; D17-V19 PolarHBondContact O-N 2.9Å; D17-V19 VanDerWaalsContact O-N 3.08Å; D17-E20 HydrophobicContact CB-CB 4.25Å; D17-E20 PolarHBondContact O-N 3.47Å; D17-K21 PolarHBondContact O-N 3Å; D17-K21 VanDerWaalsContact O-N 3.1Å
18C89.4Confident88.6Confident19 Ų1956.6 Ų56.613%0.12830%0.296CS..Hα-helixtrans-53.7-36.8-173.4-61.10000113.6T16 E20 T22 C75 Q79T16-C18 VanDerWaalsContact C-N 3.28Å; T16-C18 PolarHBondContact O-N 3.23Å; T16-C18 VanDerWaalsContact O-N 3.12Å; C18-E20 VanDerWaalsContact C-N 3.33Å; C18-T22 WeakPolarHBondContact O-CB 3.4Å; C18-T22 PolarHBondContact O-N 2.9Å; C18-T22 PolarHBondContact O-OG1 3.34Å; C18-C75 WeakPolarHBondContact CA-SG 3.37Å; C18-C75 HydrophobicContact CB-CB 3.63Å; C18-C75 WeakPolarHBondContact CB-SG 3.28Å; C18-C75 WeakPolarHBondContact SG-CB 3.37Å; C18-C75 CovalentContact SG-SG 2.03Å; C18-C75 PolarHBondContact SG-SG 3.23Å; C18-Q79 PolarHBondContact SG-NE2 2.89Å
19V92Very high89.5Confident120 Ų12055.7 Ų55.773%0.72729%0.288SS*.Hα-helixtrans-63.7-42.2179.2178.40000110.4D17 W23D17-V19 PolarHBondContact O-N 2.9Å; D17-V19 VanDerWaalsContact O-N 3.08Å; V19-W23 VanDerWaalsContact O-CB 3.22Å; V19-W23 WeakPolarHBondContact O-CB 3.29Å; V19-W23 PolarHBondContact O-N 2.93Å
20E90.9Very high90Very high78 Ų7856.7 Ų56.736%0.36430%0.296SS..Hα-helixtrans-69-48.9179.6-177164.1-166.600111.5V12 D17 C18 T22 W23 I24V12-E20 HydrophobicContact CG2-CG 4.47Å; D17-E20 HydrophobicContact CB-CB 4.25Å; D17-E20 PolarHBondContact O-N 3.47Å; C18-E20 VanDerWaalsContact C-N 3.33Å; E20-T22 VanDerWaalsContact C-N 3.3Å; E20-T22 PolarHBondContact O-N 3.28Å; E20-W23 WeakPolarHBondContact O-CB 3.37Å; E20-W23 PolarHBondContact O-N 3.42Å; E20-W23 VanDerWaalsContact O-N 3.12Å; E20-I24 HydrophobicContact CG-CD1 4Å; E20-I24 VanDerWaalsContact O-CG1 3.31Å; E20-I24 WeakPolarHBondContact O-CG1 3.45Å; E20-I24 PolarHBondContact O-N 2.97Å
21K89.6Confident90.3Very high0 Ų053.9 Ų53.90%030%0.296CS..Hα-helixtrans-58.3-42.6175.1-92.7-177.4-178.2-78.80112.4Y9 V12 P13 E14 D17 W23 I24 A25Y9-K21 HydrophobicContact CD2-CG 4.46Å; Y9-K21 HydrophobicContact CE2-CB 4.35Å; Y9-K21 HydrophobicContact CE2-CG 4.3Å; Y9-K21 PolarHBondContact O-NZ 3.33Å; V12-K21 HydrophobicContact CB-CD 4.36Å; V12-K21 HydrophobicContact CB-CG 3.91Å; V12-K21 HydrophobicContact CG1-CD 4.17Å; V12-K21 HydrophobicContact CG1-CG 3.88Å; V12-K21 WeakPolarHBondContact O-CE 3.38Å; V12-K21 PolarHBondContact O-NZ 3.38Å; P13-K21 VanDerWaalsContact C-CE 3.5Å; P13-K21 WeakPolarHBondContact O-CE 3.46Å; E14-K21 IonicContact OE1-NZ 2.73Å; E14-K21 PolarHBondContact OE1-NZ 3.09Å; E14-K21 IonicContact OE2-NZ 3.83Å; D17-K21 PolarHBondContact O-N 3Å; D17-K21 VanDerWaalsContact O-N 3.1Å; K21-W23 VanDerWaalsContact C-N 3.35Å; K21-I24 PolarHBondContact O-N 2.93Å; K21-A25 WeakPolarHBondContact O-CB 3.29Å; K21-A25 PolarHBondContact O-N 3.27Å
22T93.9Very high90.6Very high15 Ų1553.6 Ų53.69%0.09229%0.293CS..Hα-helixtrans-62.2-44.1175.9-640000111.1C18 E20 I24 A25 T26 A68 G71 M72C18-T22 WeakPolarHBondContact O-CB 3.4Å; C18-T22 PolarHBondContact O-N 2.9Å; C18-T22 PolarHBondContact O-OG1 3.34Å; E20-T22 VanDerWaalsContact C-N 3.3Å; E20-T22 PolarHBondContact O-N 3.28Å; T22-I24 PolarHBondContact O-N 3.27Å; T22-A25 PolarHBondContact O-N 2.9Å; T22-T26 WeakPolarHBondContact O-CB 3.19Å; T22-T26 PolarHBondContact O-N 3.47Å; T22-T26 PolarHBondContact O-OG1 3.43Å; T22-A68 HydrophobicContact CG2-CB 4.16Å; T22-A68 WeakPolarHBondContact CG2-O 3.49Å; T22-G71 VanDerWaalsContact OG1-C 3.28Å; T22-M72 HydrophobicContact CG2-CG 3.59Å; T22-M72 HydrophobicContact CG2-SD 4.06Å; T22-M72 WeakPolarHBondContact OG1-CG 3.5Å; T22-M72 PolarHBondContact OG1-N 3.3Å; T22-M72 VanDerWaalsContact OG1-N 3.17Å; T22-M72 PolarHBondContact OG1-SD 2.89Å
23W93.3Very high91Very high152 Ų15253.4 Ų53.458%0.57629%0.293SS*.Hα-helixtrans-63.8-41.3178.6-179-125000112.2V19 E20 K21 T26 K27V19-W23 VanDerWaalsContact O-CB 3.22Å; V19-W23 WeakPolarHBondContact O-CB 3.29Å; V19-W23 PolarHBondContact O-N 2.93Å; E20-W23 WeakPolarHBondContact O-CB 3.37Å; E20-W23 PolarHBondContact O-N 3.42Å; E20-W23 VanDerWaalsContact O-N 3.12Å; K21-W23 VanDerWaalsContact C-N 3.35Å; W23-T26 PolarHBondContact O-N 3.22Å; W23-K27 VanDerWaalsContact NE1-NZ 3.1Å; W23-K27 WeakPolarHBondContact O-CG 3.27Å; W23-K27 PolarHBondContact O-N 3.04Å
24I93Very high91.4Very high21 Ų2154.3 Ų54.311%0.10829%0.293CS..Hα-helixtrans-62.9-47.4174.3-63.8163.5000110.3M7 Y9 V12 E20 K21 T22 T26 K27 L28M7-I24 WeakPolarHBondContact O-CD1 3.29Å; Y9-I24 HydrophobicContact CD2-CG2 4.28Å; V12-I24 HydrophobicContact CG2-CD1 4.44Å; E20-I24 HydrophobicContact CG-CD1 4Å; E20-I24 VanDerWaalsContact O-CG1 3.31Å; E20-I24 WeakPolarHBondContact O-CG1 3.45Å; E20-I24 PolarHBondContact O-N 2.97Å; K21-I24 PolarHBondContact O-N 2.93Å; T22-I24 PolarHBondContact O-N 3.27Å; I24-T26 VanDerWaalsContact C-N 3.32Å; I24-T26 PolarHBondContact O-N 3.29Å; I24-K27 WeakPolarHBondContact O-CB 3.43Å; I24-K27 PolarHBondContact O-N 2.85Å; I24-L28 HydrophobicContact CG2-CD1 4.34Å; I24-L28 WeakPolarHBondContact O-CG 3.2Å; I24-L28 PolarHBondContact O-N 2.86Å
25A93.8Very high91.9Very high7 Ų757.7 Ų57.76%0.05831%0.311CS..Hα-helixtrans-62.7-38.5177.700000112.4Y9 K21 T22 L28 G29 G67 F70Y9-A25 HydrophobicContact CE2-CB 4.3Å; K21-A25 WeakPolarHBondContact O-CB 3.29Å; K21-A25 PolarHBondContact O-N 3.27Å; T22-A25 PolarHBondContact O-N 2.9Å; A25-L28 PolarHBondContact O-N 3.25Å; A25-G29 PolarHBondContact O-N 2.98Å; A25-G67 VanDerWaalsContact CB-O 3.27Å; A25-G67 WeakPolarHBondContact CB-O 3.47Å; A25-F70 HydrophobicContact CB-CD1 4.44Å
26T95.3Very high92.5Very high23 Ų2358.9 Ų58.914%0.14132%0.323CS..Hα-helixtrans-63-46.2175.2-56.80000110.6T22 W23 I24 L28 G29 T30 A64 A68T22-T26 WeakPolarHBondContact O-CB 3.19Å; T22-T26 PolarHBondContact O-N 3.47Å; T22-T26 PolarHBondContact O-OG1 3.43Å; W23-T26 PolarHBondContact O-N 3.22Å; I24-T26 VanDerWaalsContact C-N 3.32Å; I24-T26 PolarHBondContact O-N 3.29Å; T26-L28 VanDerWaalsContact C-N 3.33Å; T26-L28 PolarHBondContact O-N 2.62Å; T26-G29 PolarHBondContact O-N 3.48Å; T26-T30 PolarHBondContact O-N 3.36Å; T26-T30 PolarHBondContact O-OG1 2.94Å; T26-A64 HydrophobicContact CG2-CB 4.15Å; T26-A68 WeakPolarHBondContact OG1-CA 3.37Å; T26-A68 VanDerWaalsContact OG1-CB 3.3Å; T26-A68 WeakPolarHBondContact OG1-CB 3.24Å
27K94.3Very high92.9Very high105 Ų10556.3 Ų56.346%0.45731%0.307SS..Hα-helixtrans-59.1-43.4175.8-78.8173.4166.7173.20112.2W23 I24 T30 A31W23-K27 VanDerWaalsContact NE1-NZ 3.1Å; W23-K27 WeakPolarHBondContact O-CG 3.27Å; W23-K27 PolarHBondContact O-N 3.04Å; I24-K27 WeakPolarHBondContact O-CB 3.43Å; I24-K27 PolarHBondContact O-N 2.85Å; K27-T30 PolarHBondContact O-N 3.42Å; K27-A31 WeakPolarHBondContact O-CB 3.35Å; K27-A31 PolarHBondContact O-N 3.26Å
28L93.5Very high93.2Very high98 Ų9854.1 Ų54.151%0.51330%0.303SS..Hα-helixtrans-61.8-45.3175-70.4170.9000110.9I24 A25 T26 T30 A31 L32I24-L28 HydrophobicContact CG2-CD1 4.34Å; I24-L28 WeakPolarHBondContact O-CG 3.2Å; I24-L28 PolarHBondContact O-N 2.86Å; A25-L28 PolarHBondContact O-N 3.25Å; T26-L28 VanDerWaalsContact C-N 3.33Å; T26-L28 PolarHBondContact O-N 2.62Å; L28-T30 PolarHBondContact O-N 3.37Å; L28-A31 PolarHBondContact O-N 2.91Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.91Å
29G94.1Very high93.4Very high7 Ų761.4 Ų61.47%0.07233%0.329CS..Hα-helixtrans-58.2-46.4174.400000112.8A25 T26 A31 L32 G33 M63A25-G29 PolarHBondContact O-N 2.98Å; T26-G29 PolarHBondContact O-N 3.48Å; G29-A31 PolarHBondContact O-N 2.7Å; G29-L32 PolarHBondContact O-N 3.4Å; G29-G33 PolarHBondContact O-N 2.96Å; G29-M63 VanDerWaalsContact O-CB 3.25Å; G29-M63 WeakPolarHBondContact O-CB 3.35Å
30T94.5Very high93.4Very high44 Ų4460 Ų6027%0.2731%0.314SS..Hα-helixtrans-60-46175.9-57.70000111.6T26 K27 L28 G33 L34 T60 A64T26-T30 PolarHBondContact O-N 3.36Å; T26-T30 PolarHBondContact O-OG1 2.94Å; K27-T30 PolarHBondContact O-N 3.42Å; L28-T30 PolarHBondContact O-N 3.37Å; T30-G33 PolarHBondContact O-N 3.49Å; T30-L34 HydrophobicContact CG2-CD1 4.32Å; T30-L34 WeakPolarHBondContact O-CG 3.25Å; T30-L34 PolarHBondContact O-N 3.3Å; T30-T60 HydrophobicContact CG2-CG2 3.69Å; T30-A64 VanDerWaalsContact OG1-CB 3.25Å; T30-A64 WeakPolarHBondContact OG1-CB 3.34Å
31A94.6Very high93.6Very high47 Ų4758.4 Ų58.439%0.38831%0.308SS..Hα-helixtrans-61.6-45.917900000111.4K27 L28 G29 G33 L34 I35K27-A31 WeakPolarHBondContact O-CB 3.35Å; K27-A31 PolarHBondContact O-N 3.26Å; L28-A31 PolarHBondContact O-N 2.91Å; G29-A31 PolarHBondContact O-N 2.7Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 2.67Å; A31-L34 PolarHBondContact O-N 3.39Å; A31-I35 VanDerWaalsContact O-CG1 3.29Å; A31-I35 WeakPolarHBondContact O-CG1 3.39Å; A31-I35 PolarHBondContact O-N 3.5Å
32L93.6Very high93.7Very high107 Ų10763.9 Ų63.956%0.5634%0.341SS*.Hα-helixtrans-63.5-39.1175.5-68.7173.7000112.1L28 G29 I35 G36L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.91Å; G29-L32 PolarHBondContact O-N 3.4Å; L32-I35 PolarHBondContact O-N 2.97Å; L32-G36 PolarHBondContact O-N 3.07Å
33G93.6Very high93.8Very high3 Ų366.5 Ų66.53%0.03136%0.364CS..Hα-helixtrans-63.7-40.9176.200000113G29 T30 A31 S37G29-G33 PolarHBondContact O-N 2.96Å; T30-G33 PolarHBondContact O-N 3.49Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-G33 PolarHBondContact O-N 2.67Å; G33-S37 VanDerWaalsContact O-CB 3.24Å; G33-S37 WeakPolarHBondContact O-CB 3.41Å; G33-S37 PolarHBondContact O-N 2.92Å; G33-S37 PolarHBondContact O-OG 2.91Å
34L94Very high93.8Very high98 Ų9865.6 Ų65.651%0.51337%0.365SS..Hα-helixtrans-66.1-45.2175.2-74.8171.7000111.8T30 A31 S37 A38 T60T30-L34 HydrophobicContact CG2-CD1 4.32Å; T30-L34 WeakPolarHBondContact O-CG 3.25Å; T30-L34 PolarHBondContact O-N 3.3Å; A31-L34 PolarHBondContact O-N 3.39Å; L34-S37 PolarHBondContact O-N 3.46Å; L34-A38 WeakPolarHBondContact O-CB 3.31Å; L34-A38 PolarHBondContact O-N 3.16Å; L34-T60 HydrophobicContact CD2-CG2 4.03Å; L34-T60 HydrophobicContact CG-CG2 3.85Å
35I94.7Very high93.7Very high94 Ų9472.5 Ų72.548%0.48240%0.396SS..Hα-helixtrans-60.9-48.6176.7-66.8165.5000110.1A31 L32 S37 A38 Y39A31-I35 VanDerWaalsContact O-CG1 3.29Å; A31-I35 WeakPolarHBondContact O-CG1 3.39Å; A31-I35 PolarHBondContact O-N 3.5Å; L32-I35 PolarHBondContact O-N 2.97Å; I35-S37 VanDerWaalsContact C-N 3.33Å; I35-S37 PolarHBondContact O-N 3.16Å; I35-A38 WeakPolarHBondContact O-CB 3.37Å; I35-A38 PolarHBondContact O-N 2.88Å; I35-Y39 HydrophobicContact CG2-CD2 3.86Å; I35-Y39 HydrophobicContact CG2-CE2 3.69Å; I35-Y39 VanDerWaalsContact O-CD2 3.25Å; I35-Y39 WeakPolarHBondContact O-CD2 3.48Å; I35-Y39 PolarHBondContact O-N 3.49Å; I35-Y39 VanDerWaalsContact O-N 3.09Å
36G92.4Very high93.5Very high38 Ų3873.4 Ų73.439%0.39240%0.402SS..Hα-helixtrans-60.7-41.7177.800000112.4L32 Y39 H40L32-G36 PolarHBondContact O-N 3.07Å; G36-Y39 PolarHBondContact O-N 3.35Å; G36-H40 WeakPolarHBondContact O-CB 3.33Å; G36-H40 PolarHBondContact O-N 3.43Å
37S92.8Very high93.3Very high5 Ų579.7 Ų79.74%0.03544%0.435CS..Hα-helixtrans-63.3-41.5175.9-60.80000112.2G33 L34 I35 H40 I41 A56 A59G33-S37 VanDerWaalsContact O-CB 3.24Å; G33-S37 WeakPolarHBondContact O-CB 3.41Å; G33-S37 PolarHBondContact O-N 2.92Å; G33-S37 PolarHBondContact O-OG 2.91Å; L34-S37 PolarHBondContact O-N 3.46Å; I35-S37 VanDerWaalsContact C-N 3.33Å; I35-S37 PolarHBondContact O-N 3.16Å; S37-H40 PolarHBondContact O-N 3.38Å; S37-I41 WeakPolarHBondContact O-CB 3.49Å; S37-I41 VanDerWaalsContact O-CG1 3.31Å; S37-I41 WeakPolarHBondContact O-CG1 3.47Å; S37-I41 PolarHBondContact O-N 2.83Å; S37-A56 PolarHBondContact OG-O 2.82Å; S37-A59 WeakPolarHBondContact OG-CB 3.49Å
38A93.3Very high93.3Very high55 Ų5578.4 Ų78.446%0.45544%0.435SS..Hα-helixtrans-61-47.8177.300000111.1L34 I35 H40 I41 V42L34-A38 WeakPolarHBondContact O-CB 3.31Å; L34-A38 PolarHBondContact O-N 3.16Å; I35-A38 WeakPolarHBondContact O-CB 3.37Å; I35-A38 PolarHBondContact O-N 2.88Å; A38-H40 PolarHBondContact O-N 3.29Å; A38-I41 PolarHBondContact O-N 3.18Å; A38-V42 VanDerWaalsContact O-CG2 3.29Å; A38-V42 WeakPolarHBondContact O-CG2 3.2Å; A38-V42 PolarHBondContact O-N 3.32Å
39Y94.9Very high93.3Very high173 Ų17377.7 Ų77.768%0.67844%0.444SS*.Hα-helixtrans-61.5-42.9174.5-79.8-70.3000112.3I35 G36 I41 V42 A43I35-Y39 HydrophobicContact CG2-CD2 3.86Å; I35-Y39 HydrophobicContact CG2-CE2 3.69Å; I35-Y39 VanDerWaalsContact O-CD2 3.25Å; I35-Y39 WeakPolarHBondContact O-CD2 3.48Å; I35-Y39 PolarHBondContact O-N 3.49Å; I35-Y39 VanDerWaalsContact O-N 3.09Å; G36-Y39 PolarHBondContact O-N 3.35Å; Y39-I41 PolarHBondContact O-N 3.01Å; Y39-V42 PolarHBondContact O-N 3.02Å; Y39-A43 WeakPolarHBondContact O-CB 3.34Å; Y39-A43 PolarHBondContact O-N 3.43Å
40H92.5Very high93.3Very high90 Ų9082.7 Ų82.742%0.41747%0.468SS..Hα-helixtrans-62.2-42179.1-175-78.5000112.1G36 S37 A38 F44G36-H40 WeakPolarHBondContact O-CB 3.33Å; G36-H40 PolarHBondContact O-N 3.43Å; S37-H40 PolarHBondContact O-N 3.38Å; A38-H40 PolarHBondContact O-N 3.29Å; H40-F44 AromaticContact NE2-CD2 3.91Å; H40-F44 WeakPolarHBondContact O-CA 3.25Å; H40-F44 WeakPolarHBondContact O-CB 3.25Å; H40-F44 PolarHBondContact O-N 2.88Å
41I93.5Very high93.1Very high45 Ų4583.3 Ų83.323%0.23147%0.468CS..Hα-helixtrans-68.5-38178.2-70.7167000111.5S37 A38 Y39 F44 Q45 P46 A52 A56S37-I41 WeakPolarHBondContact O-CB 3.49Å; S37-I41 VanDerWaalsContact O-CG1 3.31Å; S37-I41 WeakPolarHBondContact O-CG1 3.47Å; S37-I41 PolarHBondContact O-N 2.83Å; A38-I41 PolarHBondContact O-N 3.18Å; Y39-I41 PolarHBondContact O-N 3.01Å; I41-F44 CarbonylContact O-C 3.35Å; I41-Q45 WeakPolarHBondContact O-CA 3.37Å; I41-Q45 PolarHBondContact O-N 2.81Å; I41-P46 HydrophobicContact CG2-CG 4.37Å; I41-A52 HydrophobicContact CD1-CB 4.34Å; I41-A56 HydrophobicContact CD1-CB 3.99Å
42V93.2Very high93Very high114 Ų11481.9 Ų81.969%0.69146%0.456SS*.Hα-helixtrans-68.1-41.4177.1171.60000111.2A38 Y39A38-V42 VanDerWaalsContact O-CG2 3.29Å; A38-V42 WeakPolarHBondContact O-CG2 3.2Å; A38-V42 PolarHBondContact O-N 3.32Å; Y39-V42 PolarHBondContact O-N 3.02Å
43A94.3Very high93Very high70 Ų7083.4 Ų83.458%0.57946%0.462SS*.Hα-helixtrans-74.1-37.6178.800000112.8Y39Y39-A43 WeakPolarHBondContact O-CB 3.34Å; Y39-A43 PolarHBondContact O-N 3.43Å
44F93.5Very high93Very high134 Ų13489 Ų8959%0.58849%0.488SS*.SBendtrans-126.185.6-178.3-57.9-72.6000109.8H40 I41H40-F44 AromaticContact NE2-CD2 3.91Å; H40-F44 WeakPolarHBondContact O-CA 3.25Å; H40-F44 WeakPolarHBondContact O-CB 3.25Å; H40-F44 PolarHBondContact O-N 2.88Å; I41-F44 CarbonylContact O-C 3.35Å
45Q90.6Very high92.9Very high165 Ų16588.2 Ų88.277%0.77148%0.478SS*.  trans-60.7127.2-177.4-70.6-169.6-21.800110.9I41I41-Q45 WeakPolarHBondContact O-CA 3.37Å; I41-Q45 PolarHBondContact O-N 2.81Å
46P90.7Very high92.9Very high26 Ų2684.9 Ų84.917%0.16946%0.464CS..  trans-78.7151.5172.230.6-30.7000110.4I41 T48 E51 A52I41-P46 HydrophobicContact CG2-CG 4.37Å; P46-T48 PolarHBondContact O-N 3.44Å; P46-E51 HydrophobicContact CB-CB 4.24Å; P46-E51 HydrophobicContact CB-CG 4.22Å; P46-A52 HydrophobicContact CB-CB 4.27Å; P46-A52 HydrophobicContact CG-CB 3.41Å; P46-A52 VanDerWaalsContact CG-CB 3.41Å
47D91.9Very high93Very high156 Ų15685.6 Ų85.683%0.83447%0.467SS*.SBendtrans-72.8-21.3-179.6-63-43.9000112
48T94.1Very high93Very high77 Ų7787.8 Ų87.847%0.47248%0.482SS..SBendtrans-137.3152.4-178.770.30000113P46 L50 E51 A52P46-T48 PolarHBondContact O-N 3.44Å; T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 3.25Å; T48-E51 PolarHBondContact O-N 3.08Å; T48-E51 VanDerWaalsContact OG1-CB 3.29Å; T48-E51 WeakPolarHBondContact OG1-CB 3.48Å; T48-E51 PolarHBondContact OG1-N 3.48Å; T48-A52 PolarHBondContact O-N 3.36Å; T48-A52 VanDerWaalsContact O-N 3.08Å
49A91.8Very high93.1Very high83 Ų8387.1 Ų87.169%0.68648%0.476SS*.Hα-helixtrans-63.7-33.4175.500000112.8A52 M53A49-A52 WeakPolarHBondContact O-CB 3.3Å; A49-A52 PolarHBondContact O-N 3.03Å; A49-M53 PolarHBondContact O-N 3.42Å
50L93.9Very high93.1Very high112 Ų11279.6 Ų79.659%0.58645%0.448SS*.Hα-helixtrans-66.9-42.6178-178.760.8000111.2T48 A52 M53 Q54T48-L50 VanDerWaalsContact C-N 3.29Å; T48-L50 PolarHBondContact O-N 3.25Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-M53 PolarHBondContact O-N 3.41Å; L50-Q54 WeakPolarHBondContact O-CG 3.45Å; L50-Q54 PolarHBondContact O-N 2.96Å
51E91.8Very high93.2Very high57 Ų5779.6 Ų79.627%0.26645%0.454SS..Hα-helixtrans-64.4-40.3175.4-174.5179.2-16600111.4P46 T48 M53 Q54 R55P46-E51 HydrophobicContact CB-CB 4.24Å; P46-E51 HydrophobicContact CB-CG 4.22Å; T48-E51 PolarHBondContact O-N 3.08Å; T48-E51 VanDerWaalsContact OG1-CB 3.29Å; T48-E51 WeakPolarHBondContact OG1-CB 3.48Å; T48-E51 PolarHBondContact OG1-N 3.48Å; E51-M53 VanDerWaalsContact C-N 3.32Å; E51-M53 PolarHBondContact O-N 2.99Å; E51-Q54 PolarHBondContact O-N 2.7Å; E51-R55 HydrophobicContact CG-CG 4.38Å; E51-R55 WeakPolarHBondContact O-CB 3.41Å; E51-R55 VanDerWaalsContact O-CG 3.28Å; E51-R55 WeakPolarHBondContact O-CG 3.27Å; E51-R55 PolarHBondContact O-N 2.76Å; E51-R55 IonicContact OE1-CZ 3.23Å; E51-R55 VanDerWaalsContact OE1-CZ 3.23Å; E51-R55 IonicContact OE1-NE 3.25Å; E51-R55 PolarHBondContact OE1-NE 3.04Å; E51-R55 IonicContact OE1-NH2 2.62Å; E51-R55 PolarHBondContact OE1-NH2 3.47Å; E51-R55 IonicContact OE2-NH2 3.89Å
52A91.4Very high93.4Very high18 Ų1878.3 Ų78.315%0.14945%0.448CS..Hα-helixtrans-55.2-48.4172.600000111.6I41 P46 T48 A49 L50 R55 A56I41-A52 HydrophobicContact CD1-CB 4.34Å; P46-A52 HydrophobicContact CB-CB 4.27Å; P46-A52 HydrophobicContact CG-CB 3.41Å; P46-A52 VanDerWaalsContact CG-CB 3.41Å; T48-A52 PolarHBondContact O-N 3.36Å; T48-A52 VanDerWaalsContact O-N 3.08Å; A49-A52 WeakPolarHBondContact O-CB 3.3Å; A49-A52 PolarHBondContact O-N 3.03Å; L50-A52 VanDerWaalsContact C-N 3.33Å; A52-R55 PolarHBondContact O-N 3.26Å; A52-A56 WeakPolarHBondContact O-CB 3.33Å; A52-A56 PolarHBondContact O-N 2.94Å
53M94.1Very high93.5Very high138 Ų13876.1 Ų76.168%0.6843%0.431SS*.Hα-helixtrans-62.4-44.9177.7-89.4-170.163.800112.3A49 L50 E51 A56 A57A49-M53 PolarHBondContact O-N 3.42Å; L50-M53 PolarHBondContact O-N 3.41Å; E51-M53 VanDerWaalsContact C-N 3.32Å; E51-M53 PolarHBondContact O-N 2.99Å; M53-A56 PolarHBondContact O-N 3.22Å; M53-A57 WeakPolarHBondContact O-CB 3.45Å; M53-A57 PolarHBondContact O-N 3.48Å
54Q93.9Very high93.6Very high121 Ų12173.4 Ų73.457%0.56541%0.409SS*.Hα-helixtrans-64.2-42.7179.5-73.3176.6-12.900111.8L50 E51 S58L50-Q54 WeakPolarHBondContact O-CG 3.45Å; L50-Q54 PolarHBondContact O-N 2.96Å; E51-Q54 PolarHBondContact O-N 2.7Å; Q54-S58 VanDerWaalsContact O-CB 3.27Å; Q54-S58 WeakPolarHBondContact O-CB 3.35Å; Q54-S58 PolarHBondContact O-N 2.88Å; Q54-S58 PolarHBondContact O-OG 2.87Å
55R91.9Very high93.7Very high82 Ų8269.3 Ų69.331%0.30940%0.395SS..Hα-helixtrans-60.9-49.8174.6-71.4175.7-177.9-170.81.2110.8E51 A52 A57 S58 A59E51-R55 HydrophobicContact CG-CG 4.38Å; E51-R55 WeakPolarHBondContact O-CB 3.41Å; E51-R55 VanDerWaalsContact O-CG 3.28Å; E51-R55 WeakPolarHBondContact O-CG 3.27Å; E51-R55 PolarHBondContact O-N 2.76Å; E51-R55 IonicContact OE1-CZ 3.23Å; E51-R55 VanDerWaalsContact OE1-CZ 3.23Å; E51-R55 IonicContact OE1-NE 3.25Å; E51-R55 PolarHBondContact OE1-NE 3.04Å; E51-R55 IonicContact OE1-NH2 2.62Å; E51-R55 PolarHBondContact OE1-NH2 3.47Å; E51-R55 IonicContact OE2-NH2 3.89Å; A52-R55 PolarHBondContact O-N 3.26Å; R55-A57 PolarHBondContact O-N 3.41Å; R55-S58 PolarHBondContact O-N 2.92Å; R55-S58 PolarHBondContact O-OG 3.04Å; R55-A59 WeakPolarHBondContact O-CB 3.33Å; R55-A59 PolarHBondContact O-N 2.88Å; R55-A59 VanDerWaalsContact O-N 3.07Å
56A93.6Very high94Very high23 Ų2362.3 Ų62.319%0.1936%0.363CS..Hα-helixtrans-62.3-45.7178.500000112.7S37 I41 A52 M53 T60S37-A56 PolarHBondContact OG-O 2.82Å; I41-A56 HydrophobicContact CD1-CB 3.99Å; A52-A56 WeakPolarHBondContact O-CB 3.33Å; A52-A56 PolarHBondContact O-N 2.94Å; M53-A56 PolarHBondContact O-N 3.22Å; A56-T60 WeakPolarHBondContact O-CB 3.39Å; A56-T60 PolarHBondContact O-N 3.39Å; A56-T60 PolarHBondContact O-OG1 2.9Å
57A94.8Very high94.3Very high54 Ų5461.6 Ų61.645%0.44636%0.36SS..Hα-helixtrans-62.9-47.4179.800000111M53 R55 A59 T60 V61M53-A57 WeakPolarHBondContact O-CB 3.45Å; M53-A57 PolarHBondContact O-N 3.48Å; R55-A57 PolarHBondContact O-N 3.41Å; A57-A59 PolarHBondContact O-N 3.36Å; A57-T60 PolarHBondContact O-N 3.39Å; A57-V61 WeakPolarHBondContact O-CB 3.18Å; A57-V61 VanDerWaalsContact O-CG2 3.25Å; A57-V61 WeakPolarHBondContact O-CG2 3.47Å; A57-V61 PolarHBondContact O-N 3.5Å
58S94.4Very high94.5Very high51 Ų5155.3 Ų55.336%0.35733%0.33SS..Hα-helixtrans-63.4-43-17965.10000112.9Q54 R55 T62Q54-S58 VanDerWaalsContact O-CB 3.27Å; Q54-S58 WeakPolarHBondContact O-CB 3.35Å; Q54-S58 PolarHBondContact O-N 2.88Å; Q54-S58 PolarHBondContact O-OG 2.87Å; R55-S58 PolarHBondContact O-N 2.92Å; R55-S58 PolarHBondContact O-OG 3.04Å; S58-T62 WeakPolarHBondContact O-CB 3.22Å; S58-T62 PolarHBondContact O-N 2.93Å; S58-T62 VanDerWaalsContact O-N 3.08Å; S58-T62 PolarHBondContact O-OG1 2.97Å
59A93.4Very high94.7Very high40 Ų4053.8 Ų53.833%0.33132%0.318SS..Hα-helixtrans-66.5-45.2175.900000111.5S37 R55 A57 T62 M63S37-A59 WeakPolarHBondContact OG-CB 3.49Å; R55-A59 WeakPolarHBondContact O-CB 3.33Å; R55-A59 PolarHBondContact O-N 2.88Å; R55-A59 VanDerWaalsContact O-N 3.07Å; A57-A59 PolarHBondContact O-N 3.36Å; A59-T62 PolarHBondContact O-N 2.99Å; A59-M63 WeakPolarHBondContact O-CG 3.24Å; A59-M63 PolarHBondContact O-N 3.31Å
60T95.1Very high94.9Very high16 Ų1651.6 Ų51.610%0.09829%0.294CS..Hα-helixtrans-62.6-46.4179.8-58.40000112T30 L34 A56 A57 T62 M63 A64T30-T60 HydrophobicContact CG2-CG2 3.69Å; L34-T60 HydrophobicContact CD2-CG2 4.03Å; L34-T60 HydrophobicContact CG-CG2 3.85Å; A56-T60 WeakPolarHBondContact O-CB 3.39Å; A56-T60 PolarHBondContact O-N 3.39Å; A56-T60 PolarHBondContact O-OG1 2.9Å; A57-T60 PolarHBondContact O-N 3.39Å; T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 2.69Å; T60-M63 PolarHBondContact O-N 3.23Å; T60-A64 WeakPolarHBondContact O-CB 3.35Å; T60-A64 PolarHBondContact O-N 2.87Å
61V96.3Very high94.9Very high90 Ų9046.3 Ų46.355%0.54527%0.266SS..Hα-helixtrans-61.6-42.1176.8169.90000110.5A57 M63 A64 T65A57-V61 WeakPolarHBondContact O-CB 3.18Å; A57-V61 VanDerWaalsContact O-CG2 3.25Å; A57-V61 WeakPolarHBondContact O-CG2 3.47Å; A57-V61 PolarHBondContact O-N 3.5Å; V61-M63 PolarHBondContact O-N 2.94Å; V61-A64 PolarHBondContact O-N 3.1Å; V61-T65 WeakPolarHBondContact O-CB 3.34Å; V61-T65 PolarHBondContact O-N 2.89Å; V61-T65 PolarHBondContact O-OG1 3.35Å
62T95.8Very high95.1Very high17 Ų1747.2 Ų47.210%0.10427%0.271CS..Hα-helixtrans-59-48.1177.9-57.70000111.1S58 A59 T60 T65 M66 F100 L101 R104S58-T62 WeakPolarHBondContact O-CB 3.22Å; S58-T62 PolarHBondContact O-N 2.93Å; S58-T62 VanDerWaalsContact O-N 3.08Å; S58-T62 PolarHBondContact O-OG1 2.97Å; A59-T62 PolarHBondContact O-N 2.99Å; T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 2.69Å; T62-T65 PolarHBondContact O-N 2.79Å; T62-M66 HydrophobicContact CG2-SD 4.42Å; T62-M66 WeakPolarHBondContact O-CG 3.39Å; T62-M66 PolarHBondContact O-N 2.92Å; T62-F100 HydrophobicContact CG2-CE1 4.27Å; T62-L101 HydrophobicContact CG2-CD1 4.05Å; T62-R104 HydrophobicContact CG2-CG 3.88Å
63M95.6Very high95.3Very high68 Ų6847.8 Ų47.834%0.33527%0.273SS..Hα-helixtrans-67.9-37179.2-63.5-55.9-6500112.7G29 A59 T60 V61 M66 G67G29-M63 VanDerWaalsContact O-CB 3.25Å; G29-M63 WeakPolarHBondContact O-CB 3.35Å; A59-M63 WeakPolarHBondContact O-CG 3.24Å; A59-M63 PolarHBondContact O-N 3.31Å; T60-M63 PolarHBondContact O-N 3.23Å; V61-M63 PolarHBondContact O-N 2.94Å; M63-M66 PolarHBondContact O-N 2.87Å; M63-M66 HydrophobicContact SD-SD 3.91Å; M63-G67 PolarHBondContact O-N 3Å
64A96.4Very high95.4Very high14 Ų1441.2 Ų41.212%0.11624%0.24CC..Hα-helixtrans-61.2-46.8174.100000111.1T26 T30 T60 V61 M66 G67 A68T26-A64 HydrophobicContact CG2-CB 4.15Å; T30-A64 VanDerWaalsContact OG1-CB 3.25Å; T30-A64 WeakPolarHBondContact OG1-CB 3.34Å; T60-A64 WeakPolarHBondContact O-CB 3.35Å; T60-A64 PolarHBondContact O-N 2.87Å; V61-A64 PolarHBondContact O-N 3.1Å; A64-M66 PolarHBondContact O-N 3.42Å; A64-G67 PolarHBondContact O-N 2.95Å; A64-A68 PolarHBondContact O-N 3.05Å
65T97Very high95.3Very high48 Ų4835.4 Ų35.429%0.29421%0.213SC..Hα-helixtrans-64.7-38.7177.8-54.30000111.8V61 T62 G67 A68 I69 F100V61-T65 WeakPolarHBondContact O-CB 3.34Å; V61-T65 PolarHBondContact O-N 2.89Å; V61-T65 PolarHBondContact O-OG1 3.35Å; T62-T65 PolarHBondContact O-N 2.79Å; T65-G67 VanDerWaalsContact C-N 3.34Å; T65-G67 PolarHBondContact O-N 3.16Å; T65-A68 PolarHBondContact O-N 3.36Å; T65-I69 HydrophobicContact CG2-CD1 3.88Å; T65-I69 HydrophobicContact CG2-CG1 4.31Å; T65-I69 WeakPolarHBondContact O-CG1 3.21Å; T65-I69 PolarHBondContact O-N 3.12Å; T65-F100 HydrophobicContact CG2-CD1 4.37Å; T65-F100 HydrophobicContact CG2-CD2 4.33Å; T65-F100 HydrophobicContact CG2-CE1 3.7Å; T65-F100 HydrophobicContact CG2-CE2 3.66Å; T65-F100 HydrophobicContact CG2-CZ 3.3Å
66M97.3Very high95.4Very high17 Ų1736 Ų368%0.08422%0.222CC..Hα-helixtrans-59.2-44.6172.9-73175.670.400111.9T62 M63 A64 A68 I69 F70 F100 L101 L118T62-M66 HydrophobicContact CG2-SD 4.42Å; T62-M66 WeakPolarHBondContact O-CG 3.39Å; T62-M66 PolarHBondContact O-N 2.92Å; M63-M66 PolarHBondContact O-N 2.87Å; M63-M66 HydrophobicContact SD-SD 3.91Å; A64-M66 PolarHBondContact O-N 3.42Å; M66-A68 VanDerWaalsContact C-N 3.34Å; M66-A68 PolarHBondContact O-N 2.83Å; M66-I69 PolarHBondContact O-N 3.37Å; M66-F70 VanDerWaalsContact O-CB 3.28Å; M66-F70 WeakPolarHBondContact O-CB 3.38Å; M66-F70 PolarHBondContact O-N 2.82Å; M66-F100 HydrophobicContact CG-CD1 3.7Å; M66-F100 HydrophobicContact CG-CE1 4.05Å; M66-L101 HydrophobicContact CE-CB 4.16Å; M66-L101 HydrophobicContact CE-CD2 4.12Å; M66-L101 HydrophobicContact SD-CB 4.09Å; M66-L101 HydrophobicContact SD-CD1 4.05Å; M66-L101 HydrophobicContact SD-CD2 4.34Å; M66-L101 HydrophobicContact SD-CG 4.39Å; M66-L118 HydrophobicContact CE-CD1 3.54Å
67G95.4Very high95.4Very high11 Ų1136.1 Ų36.111%0.11322%0.22CC..Hα-helixtrans-62.8-38.7175.100000113.1A25 M63 A64 T65 G71A25-G67 VanDerWaalsContact CB-O 3.27Å; A25-G67 WeakPolarHBondContact CB-O 3.47Å; M63-G67 PolarHBondContact O-N 3Å; A64-G67 PolarHBondContact O-N 2.95Å; T65-G67 VanDerWaalsContact C-N 3.34Å; T65-G67 PolarHBondContact O-N 3.16Å; G67-G71 PolarHBondContact O-N 3.02Å
68A96.8Very high95.3Very high25 Ų2533.6 Ų33.621%0.20720%0.2CC..Hα-helixtrans-65.7-47.7176.100000112.1T22 T26 A64 T65 M66 F70 G71 M72T22-A68 HydrophobicContact CG2-CB 4.16Å; T22-A68 WeakPolarHBondContact CG2-O 3.49Å; T26-A68 WeakPolarHBondContact OG1-CA 3.37Å; T26-A68 VanDerWaalsContact OG1-CB 3.3Å; T26-A68 WeakPolarHBondContact OG1-CB 3.24Å; A64-A68 PolarHBondContact O-N 3.05Å; T65-A68 PolarHBondContact O-N 3.36Å; M66-A68 VanDerWaalsContact C-N 3.34Å; M66-A68 PolarHBondContact O-N 2.83Å; A68-F70 VanDerWaalsContact C-N 3.33Å; A68-F70 PolarHBondContact O-N 3.43Å; A68-G71 PolarHBondContact O-N 3.26Å; A68-M72 WeakPolarHBondContact O-CB 3.24Å; A68-M72 WeakPolarHBondContact O-CG 3.42Å; A68-M72 PolarHBondContact O-N 3.48Å
69I97.6Very high95.1Very high44 Ų4436.1 Ų36.123%0.22621%0.206CC..Hα-helixtrans-60.8-46.7177-70.2170.3000109.8T65 M66 G71 M72 T73 A96 F100T65-I69 HydrophobicContact CG2-CD1 3.88Å; T65-I69 HydrophobicContact CG2-CG1 4.31Å; T65-I69 WeakPolarHBondContact O-CG1 3.21Å; T65-I69 PolarHBondContact O-N 3.12Å; M66-I69 PolarHBondContact O-N 3.37Å; I69-G71 PolarHBondContact O-N 2.9Å; I69-M72 PolarHBondContact O-N 2.98Å; I69-T73 WeakPolarHBondContact O-CB 3.24Å; I69-T73 PolarHBondContact O-N 3.15Å; I69-T73 PolarHBondContact O-OG1 3.44Å; I69-A96 HydrophobicContact CG2-CB 3.79Å; I69-F100 HydrophobicContact CD1-CB 3.51Å; I69-F100 HydrophobicContact CD1-CD1 3.94Å; I69-F100 HydrophobicContact CD1-CD2 3.5Å; I69-F100 HydrophobicContact CD1-CE2 4.21Å; I69-F100 HydrophobicContact CD1-CG 3.34Å
70F96.8Very high95Very high38 Ų3838.3 Ų38.317%0.16722%0.224CC..Hα-helixtrans-53.2-57.6175.6175.3-99.7000111.2Y9 A25 M66 A68 M72 T73 T74 Y90 A122Y9-F70 WeakPolarHBondContact OH-CE1 3.44Å; A25-F70 HydrophobicContact CB-CD1 4.44Å; M66-F70 VanDerWaalsContact O-CB 3.28Å; M66-F70 WeakPolarHBondContact O-CB 3.38Å; M66-F70 PolarHBondContact O-N 2.82Å; A68-F70 VanDerWaalsContact C-N 3.33Å; A68-F70 PolarHBondContact O-N 3.43Å; F70-M72 PolarHBondContact O-N 3.38Å; F70-T73 PolarHBondContact O-N 2.95Å; F70-T74 HydrophobicContact CD2-CG2 4.1Å; F70-T74 HydrophobicContact CE1-CG2 4.23Å; F70-T74 HydrophobicContact CE2-CG2 3.71Å; F70-T74 HydrophobicContact CG-CG2 4.49Å; F70-T74 HydrophobicContact CZ-CG2 3.79Å; F70-T74 WeakPolarHBondContact O-CG2 3.37Å; F70-T74 PolarHBondContact O-N 3.48Å; F70-T74 PolarHBondContact O-OG1 3.37Å; F70-Y90 HydrophobicContact CE2-CD1 4.38Å; F70-Y90 AromaticContact CZ-CD1 3.67Å; F70-Y90 HydrophobicContact CZ-CD1 3.67Å; F70-Y90 AromaticContact CZ-CE1 3.96Å; F70-Y90 HydrophobicContact CZ-CE1 3.96Å; F70-Y90 HydrophobicContact CZ-CG 4.37Å; F70-A122 HydrophobicContact CE2-CB 3.8Å; F70-A122 HydrophobicContact CZ-CB 4.41Å
71G94.4Very high94.8Very high0 Ų043 Ų430%024%0.24CC..Hα-helixtrans-62.6-39.4-176.500000114.3T22 G67 A68 I69 T74 C75T22-G71 VanDerWaalsContact OG1-C 3.28Å; G67-G71 PolarHBondContact O-N 3.02Å; A68-G71 PolarHBondContact O-N 3.26Å; I69-G71 PolarHBondContact O-N 2.9Å; G71-T74 PolarHBondContact O-OG1 2.86Å; G71-T74 VanDerWaalsContact O-OG1 3.11Å; G71-C75 WeakPolarHBondContact O-CB 3.24Å; G71-C75 PolarHBondContact O-N 3.5Å
72M95.2Very high94.3Very high76 Ų7647.3 Ų47.337%0.37425%0.254SS..Hα-helixtrans-67.7-47.7176.5-75-64.7-68.200111T22 A68 I69 F70 C75 L76T22-M72 HydrophobicContact CG2-CG 3.59Å; T22-M72 HydrophobicContact CG2-SD 4.06Å; T22-M72 WeakPolarHBondContact OG1-CG 3.5Å; T22-M72 PolarHBondContact OG1-N 3.3Å; T22-M72 VanDerWaalsContact OG1-N 3.17Å; T22-M72 PolarHBondContact OG1-SD 2.89Å; A68-M72 WeakPolarHBondContact O-CB 3.24Å; A68-M72 WeakPolarHBondContact O-CG 3.42Å; A68-M72 PolarHBondContact O-N 3.48Å; I69-M72 PolarHBondContact O-N 2.98Å; F70-M72 PolarHBondContact O-N 3.38Å; M72-C75 PolarHBondContact O-N 3.19Å; M72-L76 HydrophobicContact CE-CD1 4.37Å; M72-L76 WeakPolarHBondContact O-CB 3.32Å; M72-L76 VanDerWaalsContact O-CG 3.25Å; M72-L76 WeakPolarHBondContact O-CG 3.45Å; M72-L76 PolarHBondContact O-N 3Å
73T96.1Very high94Very high30 Ų3048 Ų4818%0.18426%0.262CS..Hα-helixtrans-65.8-42.4-177.4-61.90000111.4I69 F70 C75 L76 T77 V92 A96I69-T73 WeakPolarHBondContact O-CB 3.24Å; I69-T73 PolarHBondContact O-N 3.15Å; I69-T73 PolarHBondContact O-OG1 3.44Å; F70-T73 PolarHBondContact O-N 2.95Å; T73-C75 VanDerWaalsContact C-N 3.32Å; T73-C75 PolarHBondContact O-N 2.82Å; T73-L76 PolarHBondContact O-N 3.1Å; T73-T77 HydrophobicContact CG2-CG2 4.17Å; T73-T77 WeakPolarHBondContact O-CB 3.44Å; T73-T77 VanDerWaalsContact O-CG2 3.23Å; T73-T77 WeakPolarHBondContact O-CG2 3.49Å; T73-T77 PolarHBondContact O-N 3.28Å; T73-T77 PolarHBondContact O-OG1 3Å; T73-V92 HydrophobicContact CG2-CG1 3.79Å; T73-A96 HydrophobicContact CG2-CB 3.99Å
74T94.9Very high93.4Very high0 Ų047.2 Ų47.20%026%0.261CS..Hα-helixtrans-61.7-41.6175.258.80000111.5F70 G71 T77 A78 Y90F70-T74 HydrophobicContact CD2-CG2 4.1Å; F70-T74 HydrophobicContact CE1-CG2 4.23Å; F70-T74 HydrophobicContact CE2-CG2 3.71Å; F70-T74 HydrophobicContact CG-CG2 4.49Å; F70-T74 HydrophobicContact CZ-CG2 3.79Å; F70-T74 WeakPolarHBondContact O-CG2 3.37Å; F70-T74 PolarHBondContact O-N 3.48Å; F70-T74 PolarHBondContact O-OG1 3.37Å; G71-T74 PolarHBondContact O-OG1 2.86Å; G71-T74 VanDerWaalsContact O-OG1 3.11Å; T74-T77 WeakPolarHBondContact CA-OG1 3.47Å; T74-T77 PolarHBondContact O-OG1 3.29Å; T74-T77 VanDerWaalsContact O-OG1 3.07Å; T74-A78 VanDerWaalsContact O-CB 3.25Å; T74-A78 WeakPolarHBondContact O-CB 3.46Å; T74-A78 PolarHBondContact O-N 2.65Å; T74-Y90 HydrophobicContact CG2-CD2 4.22Å; T74-Y90 HydrophobicContact CG2-CG 4.26Å
75C93.2Very high92.9Very high0 Ų051.1 Ų51.10%028%0.28CS..Hα-helixtrans-69.5-43.3-179.9-162.10000112.9C18 G71 M72 T73 A78 Q79C18-C75 WeakPolarHBondContact CA-SG 3.37Å; C18-C75 HydrophobicContact CB-CB 3.63Å; C18-C75 WeakPolarHBondContact CB-SG 3.28Å; C18-C75 WeakPolarHBondContact SG-CB 3.37Å; C18-C75 CovalentContact SG-SG 2.03Å; C18-C75 PolarHBondContact SG-SG 3.23Å; G71-C75 WeakPolarHBondContact O-CB 3.24Å; G71-C75 PolarHBondContact O-N 3.5Å; M72-C75 PolarHBondContact O-N 3.19Å; T73-C75 VanDerWaalsContact C-N 3.32Å; T73-C75 PolarHBondContact O-N 2.82Å; C75-A78 PolarHBondContact O-N 2.7Å; C75-Q79 PolarHBondContact O-N 3.49Å
76L93.7Very high92.6Very high94 Ų9450.8 Ų50.849%0.49228%0.277SS..Hα-helixtrans-67.4-39.4178.8-70.8173.6000111.8M72 T73 Q79 A80M72-L76 HydrophobicContact CE-CD1 4.37Å; M72-L76 WeakPolarHBondContact O-CB 3.32Å; M72-L76 VanDerWaalsContact O-CG 3.25Å; M72-L76 WeakPolarHBondContact O-CG 3.45Å; M72-L76 PolarHBondContact O-N 3Å; T73-L76 PolarHBondContact O-N 3.1Å; L76-Q79 PolarHBondContact O-N 2.97Å; L76-A80 VanDerWaalsContact O-CB 3.24Å; L76-A80 WeakPolarHBondContact O-CB 3.28Å; L76-A80 PolarHBondContact O-N 3.15Å
77T93.7Very high92.4Very high25 Ų2550.7 Ų50.715%0.15328%0.277CS..Hα-helixtrans-69.1-38.2176.851.20000112T73 T74 Q79 A80 R81 N89 V92T73-T77 HydrophobicContact CG2-CG2 4.17Å; T73-T77 WeakPolarHBondContact O-CB 3.44Å; T73-T77 VanDerWaalsContact O-CG2 3.23Å; T73-T77 WeakPolarHBondContact O-CG2 3.49Å; T73-T77 PolarHBondContact O-N 3.28Å; T73-T77 PolarHBondContact O-OG1 3Å; T74-T77 WeakPolarHBondContact CA-OG1 3.47Å; T74-T77 PolarHBondContact O-OG1 3.29Å; T74-T77 VanDerWaalsContact O-OG1 3.07Å; T77-Q79 VanDerWaalsContact C-N 3.34Å; T77-Q79 PolarHBondContact O-N 3.44Å; T77-A80 PolarHBondContact O-N 3.43Å; T77-R81 WeakPolarHBondContact O-CB 3.41Å; T77-R81 WeakPolarHBondContact O-CG 3.35Å; T77-R81 PolarHBondContact O-N 3.47Å; T77-N89 WeakPolarHBondContact OG1-CB 3.04Å; T77-V92 HydrophobicContact CG2-CB 4.19Å; T77-V92 HydrophobicContact CG2-CG1 3.8Å
78A92.5Very high92.4Very high2 Ų253.7 Ų53.72%0.01729%0.29CS..Hα-helixtrans-58.7-44.1172.100000112.3T74 C75 E82 A83 N89T74-A78 VanDerWaalsContact O-CB 3.25Å; T74-A78 WeakPolarHBondContact O-CB 3.46Å; T74-A78 PolarHBondContact O-N 2.65Å; C75-A78 PolarHBondContact O-N 2.7Å; A78-E82 PolarHBondContact O-N 3.09Å; A78-A83 PolarHBondContact O-N 2.92Å; A78-N89 WeakPolarHBondContact CA-ND2 3.3Å
79Q90Very high92.3Very high103 Ų10352.6 Ų52.648%0.48128%0.281SS..Hα-helixtrans-68.6-47.6176.1-75.2-179.168.100112.5G15 C18 C75 L76 T77 R81 E82G15-Q79 VanDerWaalsContact O-CG 3.28Å; G15-Q79 WeakPolarHBondContact O-CG 3.39Å; C18-Q79 PolarHBondContact SG-NE2 2.89Å; C75-Q79 PolarHBondContact O-N 3.49Å; L76-Q79 PolarHBondContact O-N 2.97Å; T77-Q79 VanDerWaalsContact C-N 3.34Å; T77-Q79 PolarHBondContact O-N 3.44Å; Q79-R81 VanDerWaalsContact C-N 3.27Å; Q79-R81 PolarHBondContact O-N 3.16Å; Q79-E82 PolarHBondContact O-N 3.42Å
80A91.8Very high92.2Very high86 Ų8650.6 Ų50.671%0.71127%0.271SS*.Hα-helixtrans-66.9-27.4-175.300000113.5L76 T77L76-A80 VanDerWaalsContact O-CB 3.24Å; L76-A80 WeakPolarHBondContact O-CB 3.28Å; L76-A80 PolarHBondContact O-N 3.15Å; T77-A80 PolarHBondContact O-N 3.43Å
81R89.7Confident92.2Very high115 Ų11551.5 Ų51.543%0.43428%0.275SS..THydrogen-bonded Turntrans-97.6-3179.8-63.4178.768.7-145.2-3113.4T77 Q79 A83 D86 L88 N89T77-R81 WeakPolarHBondContact O-CB 3.41Å; T77-R81 WeakPolarHBondContact O-CG 3.35Å; T77-R81 PolarHBondContact O-N 3.47Å; Q79-R81 VanDerWaalsContact C-N 3.27Å; Q79-R81 PolarHBondContact O-N 3.16Å; R81-A83 HydrophobicContact CB-CB 4.28Å; R81-A83 WeakPolarHBondContact O-CB 3.42Å; R81-A83 PolarHBondContact O-N 3.26Å; R81-D86 IonicContact CZ-OD2 3.18Å; R81-D86 IonicContact NH1-OD2 2.87Å; R81-D86 PolarHBondContact NH1-OD2 2.91Å; R81-D86 IonicContact NH2-OD2 2.75Å; R81-D86 PolarHBondContact NH2-OD2 3.31Å; R81-L88 VanDerWaalsContact NH1-CB 3.33Å; R81-N89 PolarHBondContact NH1-OD1 3.45Å
82E87.5Confident92.3Very high180 Ų18054.4 Ų54.484%0.84129%0.293SS*.THydrogen-bonded Turntrans50.126.6-175-58.8179173.500113A78 Q79 P84A78-E82 PolarHBondContact O-N 3.09Å; Q79-E82 PolarHBondContact O-N 3.42Å; E82-P84 WeakPolarHBondContact O-CD 2.97Å
83A88.1Confident92.4Very high32 Ų3250.8 Ų50.826%0.26428%0.275SS..  trans-130.769.2-172.300000109.3A78 R81 D85 D86 N89A78-A83 PolarHBondContact O-N 2.92Å; R81-A83 HydrophobicContact CB-CB 4.28Å; R81-A83 WeakPolarHBondContact O-CB 3.42Å; R81-A83 PolarHBondContact O-N 3.26Å; A83-D85 VanDerWaalsContact C-N 3.28Å; A83-D85 PolarHBondContact O-N 2.73Å; A83-D86 HydrophobicContact CB-CB 4.12Å; A83-D86 WeakPolarHBondContact O-CB 3.36Å; A83-D86 PolarHBondContact O-N 3.25Å; A83-N89 PolarHBondContact O-ND2 3.43Å
84P83Confident92.4Very high51 Ų5149.5 Ų49.533%0.33127%0.267SS..THydrogen-bonded Turntrans-64.1-29.8-167.723.8-33.9000113.9E14 E82E14-P84 HydrophobicContact CB-CB 3.94Å; E14-P84 VanDerWaalsContact CB-O 3.27Å; E14-P84 WeakPolarHBondContact CB-O 2.91Å; E82-P84 WeakPolarHBondContact O-CD 2.97Å
85D86.6Confident92.5Very high96 Ų9650.5 Ų50.551%0.51327%0.274SS..THydrogen-bonded Turntrans-90-3.3-178.8-72.7-51.5000114.8A83 P87 K126 M130A83-D85 VanDerWaalsContact C-N 3.28Å; A83-D85 PolarHBondContact O-N 2.73Å; D85-P87 VanDerWaalsContact O-CD 3.28Å; D85-P87 WeakPolarHBondContact O-CD 3.47Å; D85-K126 WeakPolarHBondContact O-CE 3.5Å; D85-K126 IonicContact OD1-NZ 2.94Å; D85-K126 PolarHBondContact OD1-NZ 2.67Å; D85-M130 HydrophobicContact CB-SD 4.24Å
86D91.3Very high92.7Very high41 Ų4151.8 Ų51.822%0.21929%0.285CS..  trans-66.8119.3179.6-175.1-3.9000111.4R81 A83 L88 N89R81-D86 IonicContact CZ-OD2 3.18Å; R81-D86 IonicContact NH1-OD2 2.87Å; R81-D86 PolarHBondContact NH1-OD2 2.91Å; R81-D86 IonicContact NH2-OD2 2.75Å; R81-D86 PolarHBondContact NH2-OD2 3.31Å; A83-D86 HydrophobicContact CB-CB 4.12Å; A83-D86 WeakPolarHBondContact O-CB 3.36Å; A83-D86 PolarHBondContact O-N 3.25Å; D86-L88 PolarHBondContact O-N 2.9Å; D86-L88 VanDerWaalsContact O-N 3.08Å; D86-L88 WeakPolarHBondContact OD1-CB 3.44Å; D86-L88 WeakPolarHBondContact OD1-CG 3.1Å; D86-L88 PolarHBondContact OD1-N 3.49Å; D86-N89 WeakPolarHBondContact O-CB 3.21Å; D86-N89 PolarHBondContact O-N 3.11Å; D86-N89 PolarHBondContact O-ND2 3.2Å
87P93.1Very high92.9Very high15 Ų1547.7 Ų47.710%0.09726%0.264CS..Hα-helixtrans-60.4-18.6177.5-23.435.4000114.1D85 N89 Y90 F91 F123 K126 A127 M130D85-P87 VanDerWaalsContact O-CD 3.28Å; D85-P87 WeakPolarHBondContact O-CD 3.47Å; P87-N89 PolarHBondContact O-N 3.4Å; P87-Y90 WeakPolarHBondContact O-CB 3.37Å; P87-Y90 PolarHBondContact O-N 3.5Å; P87-Y90 VanDerWaalsContact O-N 3.1Å; P87-F91 PolarHBondContact O-N 3.09Å; P87-F91 VanDerWaalsContact O-N 3.09Å; P87-F123 HydrophobicContact CB-CD1 4.49Å; P87-F123 HydrophobicContact CB-CD2 3.59Å; P87-F123 HydrophobicContact CB-CE1 4.43Å; P87-F123 HydrophobicContact CB-CE2 3.55Å; P87-F123 HydrophobicContact CB-CG 4.08Å; P87-F123 HydrophobicContact CB-CZ 3.97Å; P87-F123 HydrophobicContact CG-CE2 4.42Å; P87-F123 WeakPolarHBondContact O-CD2 3.41Å; P87-K126 HydrophobicContact CB-CB 4.22Å; P87-K126 HydrophobicContact CB-CG 4.12Å; P87-K126 HydrophobicContact CG-CG 4.16Å; P87-A127 HydrophobicContact CG-CB 4.4Å; P87-M130 HydrophobicContact CG-CE 3.32Å
88L94.3Very high93Very high74 Ų7446.5 Ų46.539%0.38726%0.257SS..Hα-helixtrans-61.6-27.2173.4-69176000112.6R81 D86 Y90 F91 V92 F123R81-L88 VanDerWaalsContact NH1-CB 3.33Å; D86-L88 PolarHBondContact O-N 2.9Å; D86-L88 VanDerWaalsContact O-N 3.08Å; D86-L88 WeakPolarHBondContact OD1-CB 3.44Å; D86-L88 WeakPolarHBondContact OD1-CG 3.1Å; D86-L88 PolarHBondContact OD1-N 3.49Å; L88-Y90 VanDerWaalsContact C-N 3.27Å; L88-Y90 PolarHBondContact O-N 3.01Å; L88-F91 WeakPolarHBondContact O-CB 3.18Å; L88-F91 PolarHBondContact O-N 2.85Å; L88-V92 WeakPolarHBondContact O-CG2 3.5Å; L88-V92 PolarHBondContact O-N 2.89Å; L88-F123 HydrophobicContact CD2-CD2 4.1Å; L88-F123 HydrophobicContact CD2-CE2 3.81Å; L88-F123 HydrophobicContact CG-CE2 4.13Å
89N94.6Very high93.2Very high2 Ų251.1 Ų51.11%0.01128%0.28CS..Hα-helixtrans-63.1-39.3174.7-59.2-26.3000110.9T77 A78 R81 A83 D86 P87 V92 G93T77-N89 WeakPolarHBondContact OG1-CB 3.04Å; A78-N89 WeakPolarHBondContact CA-ND2 3.3Å; R81-N89 PolarHBondContact NH1-OD1 3.45Å; A83-N89 PolarHBondContact O-ND2 3.43Å; D86-N89 WeakPolarHBondContact O-CB 3.21Å; D86-N89 PolarHBondContact O-N 3.11Å; D86-N89 PolarHBondContact O-ND2 3.2Å; P87-N89 PolarHBondContact O-N 3.4Å; N89-V92 PolarHBondContact O-N 3.17Å; N89-G93 PolarHBondContact O-N 3.43Å
90Y95.8Very high93.5Very high2 Ų248.9 Ų48.91%0.00827%0.269CS..Hα-helixtrans-69.3-37174.9-83.7-120.8000111.9Y9 W10 E14 F70 T74 P87 L88 G93 G94 A122 K126Y9-Y90 HydrophobicContact CE1-CE1 4.05Å; Y9-Y90 WeakPolarHBondContact CE1-OH 3.34Å; Y9-Y90 PolarHBondContact OH-OH 3.44Å; W10-Y90 AromaticContact CH2-CE1 3.79Å; W10-Y90 HydrophobicContact CH2-CE1 3.79Å; W10-Y90 HydrophobicContact CZ3-CE1 4.16Å; W10-Y90 AromaticContact CZ3-CZ 3.97Å; W10-Y90 VanDerWaalsContact CZ3-OH 3.24Å; W10-Y90 WeakPolarHBondContact CZ3-OH 3.45Å; E14-Y90 VanDerWaalsContact CD-OH 3.26Å; E14-Y90 PolarHBondContact OE1-OH 3.39Å; E14-Y90 WeakPolarHBondContact OE2-CE2 3.48Å; E14-Y90 PolarHBondContact OE2-OH 2.89Å; F70-Y90 HydrophobicContact CE2-CD1 4.38Å; F70-Y90 AromaticContact CZ-CD1 3.67Å; F70-Y90 HydrophobicContact CZ-CD1 3.67Å; F70-Y90 AromaticContact CZ-CE1 3.96Å; F70-Y90 HydrophobicContact CZ-CE1 3.96Å; F70-Y90 HydrophobicContact CZ-CG 4.37Å; T74-Y90 HydrophobicContact CG2-CD2 4.22Å; T74-Y90 HydrophobicContact CG2-CG 4.26Å; P87-Y90 WeakPolarHBondContact O-CB 3.37Å; P87-Y90 PolarHBondContact O-N 3.5Å; P87-Y90 VanDerWaalsContact O-N 3.1Å; L88-Y90 VanDerWaalsContact C-N 3.27Å; L88-Y90 PolarHBondContact O-N 3.01Å; Y90-G93 PolarHBondContact O-N 3.43Å; Y90-G94 PolarHBondContact O-N 2.78Å; Y90-A122 WeakPolarHBondContact CB-O 3.46Å; Y90-A122 VanDerWaalsContact O-CB 3.24Å; Y90-A122 WeakPolarHBondContact O-CB 3.25Å; Y90-K126 HydrophobicContact CD1-CB 3.82Å; Y90-K126 HydrophobicContact CD2-CB 3.99Å; Y90-K126 HydrophobicContact CD2-CD 4.28Å; Y90-K126 HydrophobicContact CD2-CG 4Å; Y90-K126 HydrophobicContact CE1-CB 4.2Å; Y90-K126 HydrophobicContact CE2-CB 4.37Å; Y90-K126 HydrophobicContact CE2-CD 3.94Å; Y90-K126 HydrophobicContact CE2-CG 4.19Å; Y90-K126 HydrophobicContact CG-CB 3.71Å; Y90-K126 HydrophobicContact CG-CG 4.26Å
91F96.9Very high93.7Very high58 Ų5847 Ų4725%0.25425%0.246SC..Hα-helixtrans-58.3-47.9172.2-178.3-91.6000111.7P87 L88 G94 C95 L116 G119 F123P87-F91 PolarHBondContact O-N 3.09Å; P87-F91 VanDerWaalsContact O-N 3.09Å; L88-F91 WeakPolarHBondContact O-CB 3.18Å; L88-F91 PolarHBondContact O-N 2.85Å; F91-G94 PolarHBondContact O-N 3.22Å; F91-C95 WeakPolarHBondContact O-CB 3.31Å; F91-C95 PolarHBondContact O-N 3.17Å; F91-L116 HydrophobicContact CZ-CD2 4.48Å; F91-G119 WeakPolarHBondContact CA-O 3.38Å; F91-G119 WeakPolarHBondContact CD2-O 3.25Å; F91-G119 WeakPolarHBondContact O-CA 3.41Å; F91-F123 HydrophobicContact CB-CB 4.2Å; F91-F123 HydrophobicContact CB-CD2 4.26Å; F91-F123 HydrophobicContact CD2-CB 4.4Å
92V96.9Very high94Very high61 Ų6141.7 Ų41.737%0.3723%0.228SC..Hα-helixtrans-65.3-41.1179.9179.60000110.9T73 T77 L88 N89 C95 A96T73-V92 HydrophobicContact CG2-CG1 3.79Å; T77-V92 HydrophobicContact CG2-CB 4.19Å; T77-V92 HydrophobicContact CG2-CG1 3.8Å; L88-V92 WeakPolarHBondContact O-CG2 3.5Å; L88-V92 PolarHBondContact O-N 2.89Å; N89-V92 PolarHBondContact O-N 3.17Å; V92-C95 PolarHBondContact O-N 2.98Å; V92-A96 WeakPolarHBondContact O-CB 3.48Å; V92-A96 PolarHBondContact O-N 3.48Å
93G96.5Very high94.4Very high0 Ų036.1 Ų36.10%021%0.212CC..Hα-helixtrans-60.6-45.8173.600000113.1N89 Y90 A96 S97N89-G93 PolarHBondContact O-N 3.43Å; Y90-G93 PolarHBondContact O-N 3.43Å; G93-A96 PolarHBondContact O-N 3.38Å; G93-S97 PolarHBondContact O-N 2.96Å; G93-S97 VanDerWaalsContact O-N 3.09Å
94G96.6Very high94.7Very high2 Ų240 Ų402%0.02122%0.22CC..Hα-helixtrans-62.2-44.3175.800000111.5Y90 F91 A96 S97 G98Y90-G94 PolarHBondContact O-N 2.78Å; F91-G94 PolarHBondContact O-N 3.22Å; G94-A96 PolarHBondContact O-N 3.17Å; G94-S97 PolarHBondContact O-N 3.46Å; G94-S97 PolarHBondContact O-OG 3.12Å; G94-G98 PolarHBondContact O-N 3.08Å
95C97.1Very high95.2Very high21 Ų2140.9 Ų40.914%0.14222%0.224CC..Hα-helixtrans-61.4-46177.6179.40000112.4F91 V92 S97 G98 I99 C115F91-C95 WeakPolarHBondContact O-CB 3.31Å; F91-C95 PolarHBondContact O-N 3.17Å; V92-C95 PolarHBondContact O-N 2.98Å; C95-S97 VanDerWaalsContact C-N 3.31Å; C95-S97 PolarHBondContact O-N 3.18Å; C95-G98 PolarHBondContact O-N 2.66Å; C95-G98 VanDerWaalsContact O-N 3.1Å; C95-I99 WeakPolarHBondContact O-CG1 3.47Å; C95-I99 PolarHBondContact O-N 3.35Å; C95-C115 HydrophobicContact CB-CB 3.97Å; C95-C115 WeakPolarHBondContact CB-SG 3.4Å; C95-C115 WeakPolarHBondContact SG-CB 3.43Å; C95-C115 CovalentContact SG-SG 2.04Å; C95-C115 PolarHBondContact SG-SG 3.02Å
96A97.6Very high95.7Very high28 Ų2844.5 Ų44.523%0.23124%0.238CC..Hα-helixtrans-59.2-42.5177.400000111.9I69 T73 V92 G93 G94 G98 I99 F100I69-A96 HydrophobicContact CG2-CB 3.79Å; T73-A96 HydrophobicContact CG2-CB 3.99Å; V92-A96 WeakPolarHBondContact O-CB 3.48Å; V92-A96 PolarHBondContact O-N 3.48Å; G93-A96 PolarHBondContact O-N 3.38Å; G94-A96 PolarHBondContact O-N 3.17Å; A96-G98 VanDerWaalsContact C-N 3.34Å; A96-G98 PolarHBondContact O-N 3.3Å; A96-I99 PolarHBondContact O-N 2.87Å; A96-F100 PolarHBondContact O-N 2.94Å
97S96.8Very high95.9Very high8 Ų846 Ų466%0.05625%0.246CC..Hα-helixtrans-64.5-36.6175.376.10000112.8G93 G94 C95 F100 L101G93-S97 PolarHBondContact O-N 2.96Å; G93-S97 VanDerWaalsContact O-N 3.09Å; G94-S97 PolarHBondContact O-N 3.46Å; G94-S97 PolarHBondContact O-OG 3.12Å; C95-S97 VanDerWaalsContact C-N 3.31Å; C95-S97 PolarHBondContact O-N 3.18Å; S97-F100 PolarHBondContact O-N 2.88Å; S97-L101 PolarHBondContact O-N 2.9Å
98G95.9Very high95.9Very high0 Ų049.2 Ų49.20%027%0.274CS..Hα-helixtrans-68.8-41175.900000113.3G94 C95 A96 F100 L101 G102G94-G98 PolarHBondContact O-N 3.08Å; C95-G98 PolarHBondContact O-N 2.66Å; C95-G98 VanDerWaalsContact O-N 3.1Å; A96-G98 VanDerWaalsContact C-N 3.34Å; A96-G98 PolarHBondContact O-N 3.3Å; G98-F100 VanDerWaalsContact C-N 3.33Å; G98-F100 PolarHBondContact O-N 2.9Å; G98-L101 WeakPolarHBondContact O-CB 3.34Å; G98-L101 PolarHBondContact O-N 3.04Å; G98-G102 PolarHBondContact O-N 3.33Å
99I97.3Very high96Very high99 Ų9952.1 Ų52.151%0.50829%0.287SS..Hα-helixtrans-62-43.5173.3-67.2169.5000110.3C95 A96 L101 G102 A103 C115C95-I99 WeakPolarHBondContact O-CG1 3.47Å; C95-I99 PolarHBondContact O-N 3.35Å; A96-I99 PolarHBondContact O-N 2.87Å; I99-L101 VanDerWaalsContact C-N 3.32Å; I99-L101 PolarHBondContact O-N 2.88Å; I99-G102 PolarHBondContact O-N 3.45Å; I99-G102 VanDerWaalsContact O-N 3.15Å; I99-A103 PolarHBondContact O-N 3.3Å; I99-C115 HydrophobicContact CG1-CB 4.14Å
100F97.3Very high96Very high56 Ų5654.1 Ų54.125%0.24630%0.299CS..Hα-helixtrans-58.9-43.1174.7168.7-97.2000112T62 T65 M66 I69 A96 S97 G98 G102 A103 R104T62-F100 HydrophobicContact CG2-CE1 4.27Å; T65-F100 HydrophobicContact CG2-CD1 4.37Å; T65-F100 HydrophobicContact CG2-CD2 4.33Å; T65-F100 HydrophobicContact CG2-CE1 3.7Å; T65-F100 HydrophobicContact CG2-CE2 3.66Å; T65-F100 HydrophobicContact CG2-CZ 3.3Å; M66-F100 HydrophobicContact CG-CD1 3.7Å; M66-F100 HydrophobicContact CG-CE1 4.05Å; I69-F100 HydrophobicContact CD1-CB 3.51Å; I69-F100 HydrophobicContact CD1-CD1 3.94Å; I69-F100 HydrophobicContact CD1-CD2 3.5Å; I69-F100 HydrophobicContact CD1-CE2 4.21Å; I69-F100 HydrophobicContact CD1-CG 3.34Å; A96-F100 PolarHBondContact O-N 2.94Å; S97-F100 PolarHBondContact O-N 2.88Å; G98-F100 VanDerWaalsContact C-N 3.33Å; G98-F100 PolarHBondContact O-N 2.9Å; F100-G102 VanDerWaalsContact C-N 3.31Å; F100-G102 PolarHBondContact O-N 2.97Å; F100-A103 WeakPolarHBondContact O-CB 3.19Å; F100-A103 PolarHBondContact O-N 3.5Å; F100-R104 WeakPolarHBondContact O-CB 3.32Å; F100-R104 PolarHBondContact O-N 3.45Å
101L95.4Very high96Very high46 Ų4654.3 Ų54.324%0.24130%0.302CS..Hα-helixtrans-59-45175.1-178.861.7000111.1T62 M66 S97 G98 I99 A103 R104 T105 T110T62-L101 HydrophobicContact CG2-CD1 4.05Å; M66-L101 HydrophobicContact CE-CB 4.16Å; M66-L101 HydrophobicContact CE-CD2 4.12Å; M66-L101 HydrophobicContact SD-CB 4.09Å; M66-L101 HydrophobicContact SD-CD1 4.05Å; M66-L101 HydrophobicContact SD-CD2 4.34Å; M66-L101 HydrophobicContact SD-CG 4.39Å; S97-L101 PolarHBondContact O-N 2.9Å; G98-L101 WeakPolarHBondContact O-CB 3.34Å; G98-L101 PolarHBondContact O-N 3.04Å; I99-L101 VanDerWaalsContact C-N 3.32Å; I99-L101 PolarHBondContact O-N 2.88Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.39Å; L101-R104 WeakPolarHBondContact O-CB 3.46Å; L101-R104 PolarHBondContact O-N 3.13Å; L101-R104 VanDerWaalsContact O-N 3.16Å; L101-T105 HydrophobicContact CD1-CG2 4.24Å; L101-T105 WeakPolarHBondContact O-CG2 3.39Å; L101-T105 PolarHBondContact O-N 2.85Å; L101-T105 PolarHBondContact O-OG1 2.87Å; L101-T105 VanDerWaalsContact O-OG1 3.09Å; L101-T110 HydrophobicContact CG-CG2 4.44Å
102G95.1Very high95.9Very high4 Ų455.6 Ų55.64%0.04132%0.315CS..Hα-helixtrans-59.4-40.2174.500000113.5G98 I99 F100 T105 H106 N107G98-G102 PolarHBondContact O-N 3.33Å; I99-G102 PolarHBondContact O-N 3.45Å; I99-G102 VanDerWaalsContact O-N 3.15Å; F100-G102 VanDerWaalsContact C-N 3.31Å; F100-G102 PolarHBondContact O-N 2.97Å; G102-T105 CarbonylContact O-C 3.58Å; G102-T105 PolarHBondContact O-N 3.31Å; G102-T105 PolarHBondContact O-OG1 3.4Å; G102-H106 WeakPolarHBondContact O-CA 3.35Å; G102-H106 PolarHBondContact O-N 3.12Å; G102-N107 WeakPolarHBondContact CA-O 3.3Å; G102-N107 PolarHBondContact O-N 3.22Å
103A96.4Very high95.9Very high63 Ų6356.4 Ų56.452%0.52132%0.32SS..Hα-helixtrans-64.4-43174.100000111.4I99 F100 L101 T105 H106I99-A103 PolarHBondContact O-N 3.3Å; F100-A103 WeakPolarHBondContact O-CB 3.19Å; F100-A103 PolarHBondContact O-N 3.5Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.39Å; A103-T105 VanDerWaalsContact C-N 3.31Å; A103-T105 PolarHBondContact O-N 3.43Å; A103-H106 PolarHBondContact O-N 3.1Å; A103-H106 VanDerWaalsContact O-N 3.17Å
104R94.4Very high95.9Very high114 Ų11456.9 Ų56.943%0.4333%0.325SS..Hα-helixtrans-65.2-33.6178.2177.460.5-172.392.7-3.8112.8T62 F100 L101T62-R104 HydrophobicContact CG2-CG 3.88Å; F100-R104 WeakPolarHBondContact O-CB 3.32Å; F100-R104 PolarHBondContact O-N 3.45Å; L101-R104 WeakPolarHBondContact O-CB 3.46Å; L101-R104 PolarHBondContact O-N 3.13Å; L101-R104 VanDerWaalsContact O-N 3.16Å
105T94.4Very high95.9Very high68 Ų6857.6 Ų57.642%0.41733%0.329SS..THydrogen-bonded Turntrans-922.2176.461.30000113.2L101 G102 A103 N107L101-T105 HydrophobicContact CD1-CG2 4.24Å; L101-T105 WeakPolarHBondContact O-CG2 3.39Å; L101-T105 PolarHBondContact O-N 2.85Å; L101-T105 PolarHBondContact O-OG1 2.87Å; L101-T105 VanDerWaalsContact O-OG1 3.09Å; G102-T105 CarbonylContact O-C 3.58Å; G102-T105 PolarHBondContact O-N 3.31Å; G102-T105 PolarHBondContact O-OG1 3.4Å; A103-T105 VanDerWaalsContact C-N 3.31Å; A103-T105 PolarHBondContact O-N 3.43Å; T105-N107 PolarHBondContact O-N 3.41Å
106H95.9Very high95.9Very high172 Ų17261.7 Ų61.780%0.79635%0.349SS*.THydrogen-bonded Turntrans52.537.7-176.4-56.9-80.1000113.9G102 A103G102-H106 WeakPolarHBondContact O-CA 3.35Å; G102-H106 PolarHBondContact O-N 3.12Å; A103-H106 PolarHBondContact O-N 3.1Å; A103-H106 VanDerWaalsContact O-N 3.17Å
107N95.5Very high95.9Very high74 Ų7462.9 Ų62.940%0.39636%0.359SS..  trans-137.3114.6-176.4-172.1-17.6000111.7G102 T105 M109 T110 G111G102-N107 WeakPolarHBondContact CA-O 3.3Å; G102-N107 PolarHBondContact O-N 3.22Å; T105-N107 PolarHBondContact O-N 3.41Å; N107-M109 VanDerWaalsContact C-N 3.3Å; N107-M109 PolarHBondContact O-N 3.28Å; N107-M109 VanDerWaalsContact OD1-CB 3.32Å; N107-M109 WeakPolarHBondContact OD1-CB 3.28Å; N107-M109 PolarHBondContact OD1-N 3.09Å; N107-T110 PolarHBondContact ND2-OG1 3.2Å; N107-T110 PolarHBondContact O-N 2.97Å; N107-T110 PolarHBondContact OD1-N 3.42Å; N107-G111 PolarHBondContact O-N 3.38Å
108A94.3Very high95.9Very high82 Ų8265.2 Ų65.268%0.67837%0.37SS*.Hα-helixtrans-63-35178.700000112.7G111 T112A108-G111 PolarHBondContact O-N 3.35Å; A108-T112 WeakPolarHBondContact O-CG2 3.41Å; A108-T112 PolarHBondContact O-N 3.48Å; A108-T112 PolarHBondContact O-OG1 2.86Å
109M95.6Very high95.9Very high134 Ų13465.2 Ų65.266%0.6637%0.37SS*.Hα-helixtrans-67.1-41.9178-171.3-176.7-66.900111.2N107 G111 T112 T113N107-M109 VanDerWaalsContact C-N 3.3Å; N107-M109 PolarHBondContact O-N 3.28Å; N107-M109 VanDerWaalsContact OD1-CB 3.32Å; N107-M109 WeakPolarHBondContact OD1-CB 3.28Å; N107-M109 PolarHBondContact OD1-N 3.09Å; M109-G111 VanDerWaalsContact C-N 3.26Å; M109-G111 PolarHBondContact O-N 3.32Å; M109-T112 PolarHBondContact O-N 2.87Å; M109-T112 PolarHBondContact O-OG1 2.9Å; M109-T112 VanDerWaalsContact O-OG1 3.12Å; M109-T113 HydrophobicContact CG-CG2 4.39Å; M109-T113 WeakPolarHBondContact O-CB 3.41Å; M109-T113 VanDerWaalsContact O-CG2 3.31Å; M109-T113 WeakPolarHBondContact O-CG2 3.36Å; M109-T113 PolarHBondContact O-N 3.43Å; M109-T113 PolarHBondContact O-OG1 2.92Å
110T94.5Very high95.9Very high44 Ų4463.3 Ų63.327%0.2736%0.364SS..Hα-helixtrans-62.5-37.4173.3-52.40000111L101 N107 T113 G114L101-T110 HydrophobicContact CG-CG2 4.44Å; N107-T110 PolarHBondContact ND2-OG1 3.2Å; N107-T110 PolarHBondContact O-N 2.97Å; N107-T110 PolarHBondContact OD1-N 3.42Å; T110-T113 WeakPolarHBondContact CA-OG1 3.39Å; T110-T113 PolarHBondContact O-OG1 3.24Å; T110-G114 WeakPolarHBondContact O-CA 3.09Å; T110-G114 PolarHBondContact O-N 2.82Å
111G94.7Very high95.9Very high6 Ų666 Ų666%0.06238%0.38CS..Hα-helixtrans-64.9-48.517600000113.5N107 A108 M109 C115N107-G111 PolarHBondContact O-N 3.38Å; A108-G111 PolarHBondContact O-N 3.35Å; M109-G111 VanDerWaalsContact C-N 3.26Å; M109-G111 PolarHBondContact O-N 3.32Å; G111-C115 VanDerWaalsContact O-CB 3.31Å; G111-C115 WeakPolarHBondContact O-CB 3.27Å; G111-C115 PolarHBondContact O-N 3.07Å
112T95.6Very high95.9Very high85 Ų8564.1 Ų64.152%0.52137%0.371SS..Hα-helixtrans-69.4-45.3-178.953.20000112A108 M109 C115 L116A108-T112 WeakPolarHBondContact O-CG2 3.41Å; A108-T112 PolarHBondContact O-N 3.48Å; A108-T112 PolarHBondContact O-OG1 2.86Å; M109-T112 PolarHBondContact O-N 2.87Å; M109-T112 PolarHBondContact O-OG1 2.9Å; M109-T112 VanDerWaalsContact O-OG1 3.12Å; T112-C115 PolarHBondContact O-N 3.29Å; T112-L116 PolarHBondContact O-N 3.44Å; T112-L116 VanDerWaalsContact O-N 3.13Å
113T96.6Very high96Very high79 Ų7966.9 Ų66.949%0.48538%0.382SS..Hα-helixtrans-64-44.1175.853.80000111.4M109 T110 C115 L116 A117M109-T113 HydrophobicContact CG-CG2 4.39Å; M109-T113 WeakPolarHBondContact O-CB 3.41Å; M109-T113 VanDerWaalsContact O-CG2 3.31Å; M109-T113 WeakPolarHBondContact O-CG2 3.36Å; M109-T113 PolarHBondContact O-N 3.43Å; M109-T113 PolarHBondContact O-OG1 2.92Å; T110-T113 WeakPolarHBondContact CA-OG1 3.39Å; T110-T113 PolarHBondContact O-OG1 3.24Å; T113-C115 VanDerWaalsContact C-N 3.32Å; T113-C115 PolarHBondContact O-N 3.39Å; T113-L116 PolarHBondContact O-N 2.89Å; T113-A117 VanDerWaalsContact O-CB 3.24Å; T113-A117 WeakPolarHBondContact O-CB 3.47Å; T113-A117 PolarHBondContact O-N 3.02Å
114G96.3Very high96Very high10 Ų1069 Ų6910%0.10338%0.38CS..Hα-helixtrans-60.1-41.4174.600000112.2T110 L118T110-G114 WeakPolarHBondContact O-CA 3.09Å; T110-G114 PolarHBondContact O-N 2.82Å; G114-L118 WeakPolarHBondContact O-CB 3.31Å; G114-L118 WeakPolarHBondContact O-CG 3.15Å; G114-L118 PolarHBondContact O-N 3.38Å
115C96.8Very high95.9Very high16 Ų1667.2 Ų67.211%0.10838%0.382CS..Hα-helixtrans-60.6-50.8177.8158.20000111.9C95 I99 G111 T112 T113 G119C95-C115 HydrophobicContact CB-CB 3.97Å; C95-C115 WeakPolarHBondContact CB-SG 3.4Å; C95-C115 WeakPolarHBondContact SG-CB 3.43Å; C95-C115 CovalentContact SG-SG 2.04Å; C95-C115 PolarHBondContact SG-SG 3.02Å; I99-C115 HydrophobicContact CG1-CB 4.14Å; G111-C115 VanDerWaalsContact O-CB 3.31Å; G111-C115 WeakPolarHBondContact O-CB 3.27Å; G111-C115 PolarHBondContact O-N 3.07Å; T112-C115 PolarHBondContact O-N 3.29Å; T113-C115 VanDerWaalsContact C-N 3.32Å; T113-C115 PolarHBondContact O-N 3.39Å; C115-G119 VanDerWaalsContact O-CA 3.3Å; C115-G119 WeakPolarHBondContact O-CA 3.47Å; C115-G119 PolarHBondContact O-N 2.94Å
116L97.5Very high95.8Very high107 Ų10764.5 Ų64.556%0.5636%0.364SS*.Hα-helixtrans-66.9-46.5-179.3-65.7176000111.1F91 T112 T113 T120F91-L116 HydrophobicContact CZ-CD2 4.48Å; T112-L116 PolarHBondContact O-N 3.44Å; T112-L116 VanDerWaalsContact O-N 3.13Å; T113-L116 PolarHBondContact O-N 2.89Å; L116-T120 WeakPolarHBondContact O-CB 3.06Å; L116-T120 PolarHBondContact O-N 3.49Å; L116-T120 PolarHBondContact O-OG1 2.87Å
117A97.4Very high95.7Very high53 Ų5357.1 Ų57.144%0.43833%0.333SS..Hα-helixtrans-63.9-54-178.400000111.9T113 L121T113-A117 VanDerWaalsContact O-CB 3.24Å; T113-A117 WeakPolarHBondContact O-CB 3.47Å; T113-A117 PolarHBondContact O-N 3.02Å; A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 WeakPolarHBondContact O-CD1 3.33Å; A117-L121 WeakPolarHBondContact O-CG 3.23Å; A117-L121 PolarHBondContact O-N 3.07Å
118L96.9Very high95.5Very high57 Ų5753.9 Ų53.930%0.29832%0.317SS..Hα-helixtrans-70.7-36.6-178.5-62.5176.1000111.9M66 G114 A122M66-L118 HydrophobicContact CE-CD1 3.54Å; G114-L118 WeakPolarHBondContact O-CB 3.31Å; G114-L118 WeakPolarHBondContact O-CG 3.15Å; G114-L118 PolarHBondContact O-N 3.38Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.28Å; L118-A122 PolarHBondContact O-N 3Å
119G96.8Very high95.3Very high0 Ų055.6 Ų55.60%031%0.31CS..Hα-helixtrans-61.3-51.4174.600000111.7F91 C115 L121 A122 F123F91-G119 WeakPolarHBondContact CA-O 3.38Å; F91-G119 WeakPolarHBondContact CD2-O 3.25Å; F91-G119 WeakPolarHBondContact O-CA 3.41Å; C115-G119 VanDerWaalsContact O-CA 3.3Å; C115-G119 WeakPolarHBondContact O-CA 3.47Å; C115-G119 PolarHBondContact O-N 2.94Å; G119-L121 PolarHBondContact O-N 3.45Å; G119-A122 PolarHBondContact O-N 2.93Å; G119-F123 WeakPolarHBondContact O-CB 3.48Å; G119-F123 PolarHBondContact O-N 2.03Å
120T97.3Very high95.1Very high60 Ų6053.6 Ų53.637%0.36830%0.3SS..Hα-helixtrans-64.2-41.3178.7-62.50000111.7L116 A122 F123 F124L116-T120 WeakPolarHBondContact O-CB 3.06Å; L116-T120 PolarHBondContact O-N 3.49Å; L116-T120 PolarHBondContact O-OG1 2.87Å; T120-A122 PolarHBondContact O-N 2.97Å; T120-F123 WeakPolarHBondContact O-CB 3.48Å; T120-F123 PolarHBondContact O-N 2.96Å; T120-F124 HydrophobicContact CG2-CD2 3.65Å; T120-F124 HydrophobicContact CG2-CE2 3.41Å; T120-F124 VanDerWaalsContact CG2-CE2 3.41Å; T120-F124 WeakPolarHBondContact O-CD2 3.36Å; T120-F124 PolarHBondContact O-N 2.75Å
121L96.6Very high94.9Very high111 Ų11158.1 Ų58.158%0.58132%0.318SS*.Hα-helixtrans-59.2-46.5173.9-74.8169.7000111.5A117 G119 F123 F124 T125A117-L121 WeakPolarHBondContact O-CB 3.36Å; A117-L121 WeakPolarHBondContact O-CD1 3.33Å; A117-L121 WeakPolarHBondContact O-CG 3.23Å; A117-L121 PolarHBondContact O-N 3.07Å; G119-L121 PolarHBondContact O-N 3.45Å; L121-F123 PolarHBondContact O-N 3.44Å; L121-F124 PolarHBondContact O-N 3.29Å; L121-T125 WeakPolarHBondContact O-CG2 3.38Å; L121-T125 PolarHBondContact O-N 2.87Å
122A95.9Very high94.7Very high8 Ų860.3 Ų60.37%0.06634%0.34CS..Hα-helixtrans-66.1-36.9178.900000113F70 Y90 L118 G119 T120 T125 K126F70-A122 HydrophobicContact CE2-CB 3.8Å; F70-A122 HydrophobicContact CZ-CB 4.41Å; Y90-A122 WeakPolarHBondContact CB-O 3.46Å; Y90-A122 VanDerWaalsContact O-CB 3.24Å; Y90-A122 WeakPolarHBondContact O-CB 3.25Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.28Å; L118-A122 PolarHBondContact O-N 3Å; G119-A122 PolarHBondContact O-N 2.93Å; T120-A122 PolarHBondContact O-N 2.97Å; A122-T125 WeakPolarHBondContact CA-OG1 3.46Å; A122-T125 PolarHBondContact O-N 3.31Å; A122-T125 PolarHBondContact O-OG1 2.04Å; A122-K126 PolarHBondContact O-N 3.22Å
123F96.5Very high94.4Very high62 Ų6264 Ų6427%0.27235%0.345SS..Hα-helixtrans-58.1-50.3172.6-178.7-85.4000110.7P87 L88 F91 G119 T120 L121 T125 K126 A127P87-F123 HydrophobicContact CB-CD1 4.49Å; P87-F123 HydrophobicContact CB-CD2 3.59Å; P87-F123 HydrophobicContact CB-CE1 4.43Å; P87-F123 HydrophobicContact CB-CE2 3.55Å; P87-F123 HydrophobicContact CB-CG 4.08Å; P87-F123 HydrophobicContact CB-CZ 3.97Å; P87-F123 HydrophobicContact CG-CE2 4.42Å; P87-F123 WeakPolarHBondContact O-CD2 3.41Å; L88-F123 HydrophobicContact CD2-CD2 4.1Å; L88-F123 HydrophobicContact CD2-CE2 3.81Å; L88-F123 HydrophobicContact CG-CE2 4.13Å; F91-F123 HydrophobicContact CB-CB 4.2Å; F91-F123 HydrophobicContact CB-CD2 4.26Å; F91-F123 HydrophobicContact CD2-CB 4.4Å; G119-F123 WeakPolarHBondContact O-CB 3.48Å; G119-F123 PolarHBondContact O-N 2.03Å; T120-F123 WeakPolarHBondContact O-CB 3.48Å; T120-F123 PolarHBondContact O-N 2.96Å; L121-F123 PolarHBondContact O-N 3.44Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3.03Å; F123-K126 PolarHBondContact O-N 3.08Å; F123-A127 HydrophobicContact CE1-CB 4.42Å; F123-A127 WeakPolarHBondContact O-CB 3.24Å; F123-A127 PolarHBondContact O-N 3.25Å
124F95.7Very high93.8Very high107 Ų10769 Ų6947%0.46936%0.355SS..Hα-helixtrans-68.7-29.3-179.5-76.4-60.2000113.3T120 L121 G128T120-F124 HydrophobicContact CG2-CD2 3.65Å; T120-F124 HydrophobicContact CG2-CE2 3.41Å; T120-F124 VanDerWaalsContact CG2-CE2 3.41Å; T120-F124 WeakPolarHBondContact O-CD2 3.36Å; T120-F124 PolarHBondContact O-N 2.75Å; L121-F124 PolarHBondContact O-N 3.29Å; F124-G128 PolarHBondContact O-N 2.74Å
125T92.9Very high93Very high76 Ų7676.8 Ų76.847%0.46639%0.393SS..Hα-helixtrans-67-41.8174.256.40000111.7L121 A122 F123 K129L121-T125 WeakPolarHBondContact O-CG2 3.38Å; L121-T125 PolarHBondContact O-N 2.87Å; A122-T125 WeakPolarHBondContact CA-OG1 3.46Å; A122-T125 PolarHBondContact O-N 3.31Å; A122-T125 PolarHBondContact O-OG1 2.04Å; F123-T125 VanDerWaalsContact C-N 3.33Å; F123-T125 PolarHBondContact O-N 3.03Å; T125-K129 WeakPolarHBondContact O-CB 3.42Å; T125-K129 PolarHBondContact O-N 2.68Å
126K93Very high92.3Very high11 Ų1182.2 Ų82.25%0.04843%0.426CS..Hα-helixtrans-68.5-46.1173.7178.964.5177.4-177.40111.4W10 D85 P87 Y90 A122 F123 G128 K129 M130W10-K126 HydrophobicContact CZ3-CD 4.27Å; D85-K126 WeakPolarHBondContact O-CE 3.5Å; D85-K126 IonicContact OD1-NZ 2.94Å; D85-K126 PolarHBondContact OD1-NZ 2.67Å; P87-K126 HydrophobicContact CB-CB 4.22Å; P87-K126 HydrophobicContact CB-CG 4.12Å; P87-K126 HydrophobicContact CG-CG 4.16Å; Y90-K126 HydrophobicContact CD1-CB 3.82Å; Y90-K126 HydrophobicContact CD2-CB 3.99Å; Y90-K126 HydrophobicContact CD2-CD 4.28Å; Y90-K126 HydrophobicContact CD2-CG 4Å; Y90-K126 HydrophobicContact CE1-CB 4.2Å; Y90-K126 HydrophobicContact CE2-CB 4.37Å; Y90-K126 HydrophobicContact CE2-CD 3.94Å; Y90-K126 HydrophobicContact CE2-CG 4.19Å; Y90-K126 HydrophobicContact CG-CB 3.71Å; Y90-K126 HydrophobicContact CG-CG 4.26Å; A122-K126 PolarHBondContact O-N 3.22Å; F123-K126 PolarHBondContact O-N 3.08Å; K126-G128 PolarHBondContact O-N 3.05Å; K126-K129 WeakPolarHBondContact O-CB 3.39Å; K126-K129 PolarHBondContact O-N 3.07Å; K126-K129 VanDerWaalsContact O-N 3.15Å; K126-M130 HydrophobicContact CD-CG 4.38Å; K126-M130 WeakPolarHBondContact O-CG 3.49Å; K126-M130 PolarHBondContact O-N 2.97Å
127A94.1Very high91.3Very high17 Ų1779.6 Ų79.614%0.1443%0.425CS..Hα-helixtrans-57.7-48.2177.100000111.8P87 F123 K129 M130 E131P87-A127 HydrophobicContact CG-CB 4.4Å; F123-A127 HydrophobicContact CE1-CB 4.42Å; F123-A127 WeakPolarHBondContact O-CB 3.24Å; F123-A127 PolarHBondContact O-N 3.25Å; A127-K129 VanDerWaalsContact C-N 3.3Å; A127-K129 PolarHBondContact O-N 3.44Å; A127-M130 PolarHBondContact O-N 3.29Å; A127-M130 VanDerWaalsContact O-N 3.16Å; A127-E131 WeakPolarHBondContact O-CG 3.35Å; A127-E131 PolarHBondContact O-N 3.44Å
128G91.5Very high90.5Very high7 Ų781.9 Ų81.97%0.07244%0.435CS..Hα-helixtrans-63.1-34.1176.800000113.2F124 K126 G132 W133F124-G128 PolarHBondContact O-N 2.74Å; K126-G128 PolarHBondContact O-N 3.05Å; G128-G132 PolarHBondContact O-N 2.86Å; G128-W133 PolarHBondContact O-N 3.4Å
129K90.1Very high89.8Confident118 Ų11885.4 Ų85.451%0.51346%0.461SS..Hα-helixtrans-66-40.2174177.961.5-179.3178.90112W10 T125 K126 A127W10-K129 HydrophobicContact CD2-CD 4.42Å; W10-K129 HydrophobicContact CD2-CG 4.29Å; W10-K129 HydrophobicContact CE3-CG 3.99Å; W10-K129 HydrophobicContact CH2-CB 4.22Å; W10-K129 HydrophobicContact CH2-CG 4.27Å; W10-K129 HydrophobicContact CZ3-CB 4.35Å; W10-K129 HydrophobicContact CZ3-CG 3.99Å; T125-K129 WeakPolarHBondContact O-CB 3.42Å; T125-K129 PolarHBondContact O-N 2.68Å; K126-K129 WeakPolarHBondContact O-CB 3.39Å; K126-K129 PolarHBondContact O-N 3.07Å; K126-K129 VanDerWaalsContact O-N 3.15Å; A127-K129 VanDerWaalsContact C-N 3.3Å; A127-K129 PolarHBondContact O-N 3.44Å
130M90.3Very high88.8Confident91 Ų9193.7 Ų93.745%0.44850%0.497SS..Hα-helixtrans-69.3-42.4177.7-65.4-169.2-49.800112D85 P87 K126 A127 G132D85-M130 HydrophobicContact CB-SD 4.24Å; P87-M130 HydrophobicContact CG-CE 3.32Å; K126-M130 HydrophobicContact CD-CG 4.38Å; K126-M130 WeakPolarHBondContact O-CG 3.49Å; K126-M130 PolarHBondContact O-N 2.97Å; A127-M130 PolarHBondContact O-N 3.29Å; A127-M130 VanDerWaalsContact O-N 3.16Å; M130-G132 PolarHBondContact O-N 3.48Å
131E91.5Very high87.4Confident140 Ų140102.7 Ų102.765%0.65454%0.542SS*.THydrogen-bonded Turntrans-80-2.2178.9-63.9-63.7165.100113.5A127 W133A127-E131 WeakPolarHBondContact O-CG 3.35Å; A127-E131 PolarHBondContact O-N 3.44Å; E131-W133 VanDerWaalsContact C-N 3.34Å; E131-W133 HydrophobicContact CB-CG 4.45Å; E131-W133 PolarHBondContact O-N 3.02Å
132G88.9Confident86.9Confident52 Ų52102.3 Ų102.354%0.53654%0.54SS..THydrogen-bonded Turntrans68.827.6178.600000114.7G128 M130 R134G128-G132 PolarHBondContact O-N 2.86Å; M130-G132 PolarHBondContact O-N 3.48Å; G132-R134 PolarHBondContact O-N 3.26Å
133W89.4Confident86.5Confident161 Ų161107.3 Ų107.361%0.6157%0.565SS**  trans-59.8131.9176.7-67.37.6000110.8G128 E131G128-W133 PolarHBondContact O-N 3.4Å; E131-W133 VanDerWaalsContact C-N 3.34Å; E131-W133 HydrophobicContact CB-CG 4.45Å; E131-W133 PolarHBondContact O-N 3.02Å
134R83.6Confident85.9Confident185 Ų185109.8 Ų109.870%0.69858%0.581SS**  trans-107.5103.2177.7-68.5-176.5170.5-176.5-2.7109.5G132 T136G132-R134 PolarHBondContact O-N 3.26Å; R134-T136 VanDerWaalsContact C-N 3.34Å
135L79.4Confident85.3Confident173 Ų173109.9 Ų109.991%0.90659%0.588SS**SBendtrans-68.9-35.9175.3-72168.6000112
136T82.1Confident84.9Confident131 Ų131112.1 Ų112.180%0.80460%0.596SS**SBendtrans-130.9138174.759.70000108.2R134R134-T136 VanDerWaalsContact C-N 3.34Å
137G77.4Confident84.3Confident51 Ų51118.8 Ų118.853%0.52663%0.632SS.*  trans-168160.8-178.600000110.4
138P81.7Confident83.6Confident101 Ų101126.1 Ų126.166%0.65667%0.667SS**PPolyproline II helixtrans-57.4140.1173.225.6-32.6000108.7K140P138-K140 PolarHBondContact O-N 3.31Å; P138-K140 VanDerWaalsContact O-N 3.16Å
139P80.8Confident83Confident132 Ų132135.2 Ų135.286%0.85771%0.713SS**PPolyproline II helixtrans-55.3126.2176.523.8-32.3000108.3
140K76.9Confident82.4Confident173 Ų173136.7 Ų136.775%0.75273%0.73SS**PPolyproline II helixtrans-92131.7170.9-67.8-175.3176.2-177.90107.2P138P138-K140 PolarHBondContact O-N 3.31Å; P138-K140 VanDerWaalsContact O-N 3.16Å
141L67Low81.7Confident250 Ų250140.8 Ų140.8100%1.30976%0.755SS**  trans-71.40172-69.3162.4000110.4

Retrieved 141 of 141 residues in 244.2 ms (Link to these results)