A0A077ZGZ7_TRITR Loading...

Sumo conjugating enzyme ubc sumo-conjugating en zyme ubc

AlphaFold DB , UniProt , Accession A0A077ZGZ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 106 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
1M62.5Low68.7Low185 Ų18594.7 Ų94.791%0.91152%0.515SS*.  0-58.60-164.4168.869.500112.1L3 E4 I5M1-L3 PolarHBondContact O-N 3.47Å; M1-E4 PolarHBondContact O-N 3.45Å; M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 WeakPolarHBondContact O-CG1 3.42Å; M1-I5 PolarHBondContact O-N 3.4Å
2V66.2Low69.4Low119 Ų11997.1 Ų97.172%0.72152%0.52SS*.Hα-helixtrans-61.7-42.9-178.7-177.70000112.9E4 I5 A6V2-E4 PolarHBondContact O-N 3.24Å; V2-I5 PolarHBondContact O-N 2.91Å; V2-A6 PolarHBondContact O-N 3.34Å
3L63.3Low69.4Low113 Ų11394.5 Ų94.559%0.59250%0.502SS*.Hα-helixtrans-60.7-44.1179-174.962.5000112.7M1 I5 A6 L7 L33M1-L3 PolarHBondContact O-N 3.47Å; L3-I5 PolarHBondContact O-N 2.94Å; L3-A6 PolarHBondContact O-N 3.33Å; L3-L7 HydrophobicContact CG-CD1 4.35Å; L3-L7 WeakPolarHBondContact O-CG 3.46Å; L3-L7 PolarHBondContact O-N 2.91Å; L3-L33 HydrophobicContact CD1-CD1 3.82Å
4E68.5Low69.4Low126 Ų12694.1 Ų94.159%0.58949%0.49SS*.Hα-helixtrans-62.9-41.7178-64.9-59.2147.200112.4M1 V2 A6 L7 A8M1-E4 PolarHBondContact O-N 3.45Å; V2-E4 PolarHBondContact O-N 3.24Å; E4-A6 VanDerWaalsContact C-N 3.34Å; E4-L7 PolarHBondContact O-N 3.45Å; E4-A8 WeakPolarHBondContact O-CB 3.34Å; E4-A8 PolarHBondContact O-N 3.32Å
5I69.8Low69.6Low109 Ų10992 Ų9256%0.55949%0.492SS*.Hα-helixtrans-64.4-42.1177-65.1167.5000110.2M1 V2 L3 A8 R9M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 WeakPolarHBondContact O-CG1 3.42Å; M1-I5 PolarHBondContact O-N 3.4Å; V2-I5 PolarHBondContact O-N 2.91Å; L3-I5 PolarHBondContact O-N 2.94Å; I5-A8 PolarHBondContact O-N 3.04Å; I5-R9 WeakPolarHBondContact O-CB 3.4Å; I5-R9 PolarHBondContact O-N 3.49Å
6A66.6Low69.7Low37 Ų3793.1 Ų93.131%0.30650%0.495SS..Hα-helixtrans-64-41.4176.600000111.9V2 L3 E4 R9 L10 L33V2-A6 PolarHBondContact O-N 3.34Å; L3-A6 PolarHBondContact O-N 3.33Å; E4-A6 VanDerWaalsContact C-N 3.34Å; A6-R9 PolarHBondContact O-N 2.98Å; A6-L10 PolarHBondContact O-N 2.91Å; A6-L33 HydrophobicContact CB-CD1 3.92Å; A6-L33 HydrophobicContact CB-CD2 4.18Å
7L69.8Low69.2Low70 Ų7091.5 Ų91.537%0.36648%0.481SS..Hα-helixtrans-63.2-46.9175.9-76.4171.8000111.5L3 E4 R9 L10 A11 L33L3-L7 HydrophobicContact CG-CD1 4.35Å; L3-L7 WeakPolarHBondContact O-CG 3.46Å; L3-L7 PolarHBondContact O-N 2.91Å; E4-L7 PolarHBondContact O-N 3.45Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.33Å; L7-L10 PolarHBondContact O-N 3.44Å; L7-A11 WeakPolarHBondContact O-CB 3.46Å; L7-A11 PolarHBondContact O-N 3.39Å; L7-L33 HydrophobicContact CB-CD1 4.29Å; L7-L33 HydrophobicContact CD2-CB 4.34Å; L7-L33 HydrophobicContact CD2-CD1 3.33Å; L7-L33 HydrophobicContact CD2-CG 3.8Å; L7-L33 HydrophobicContact CG-CD1 3.45Å; L7-L33 VanDerWaalsContact CG-CD1 3.45Å; L7-L33 HydrophobicContact CG-CG 4.4Å
8A73Confident69.1Low55 Ų5593.8 Ų93.846%0.45549%0.486SS..Hα-helixtrans-61.3-41.6177.500000111.6E4 I5 A11 Q12E4-A8 WeakPolarHBondContact O-CB 3.34Å; E4-A8 PolarHBondContact O-N 3.32Å; I5-A8 PolarHBondContact O-N 3.04Å; A8-A11 PolarHBondContact O-N 3.2Å; A8-Q12 WeakPolarHBondContact O-CG 3.41Å; A8-Q12 PolarHBondContact O-N 3.5Å
9R74.8Confident69.3Low142 Ų14298 Ų9854%0.53650%0.5SS..Hα-helixtrans-64.4-45176.8178.557.3-176.9-93.5-10.3112I5 A6 L7 A11 Q12 E13I5-R9 WeakPolarHBondContact O-CB 3.4Å; I5-R9 PolarHBondContact O-N 3.49Å; A6-R9 PolarHBondContact O-N 2.98Å; L7-R9 VanDerWaalsContact C-N 3.31Å; L7-R9 PolarHBondContact O-N 3.33Å; R9-A11 VanDerWaalsContact C-N 3.33Å; R9-A11 PolarHBondContact O-N 3.45Å; R9-Q12 WeakPolarHBondContact O-CB 3.49Å; R9-Q12 PolarHBondContact O-N 3.08Å; R9-E13 IonicContact CZ-OE1 2.77Å; R9-E13 VanDerWaalsContact CZ-OE1 3.25Å; R9-E13 IonicContact NE-OE1 3.21Å; R9-E13 PolarHBondContact NE-OE1 3.26Å; R9-E13 IonicContact NH2-OE1 3.69Å; R9-E13 PolarHBondContact NH2-OE1 3.08Å; R9-E13 WeakPolarHBondContact O-CG 3.4Å; R9-E13 PolarHBondContact O-N 3.42Å
10L69.4Low69.4Low28 Ų2898.8 Ų98.815%0.14751%0.506CS..Hα-helixtrans-61.7-40.5174-84.7-158.9000112.3A6 L7 Q12 E13 R14 L33A6-L10 PolarHBondContact O-N 2.91Å; L7-L10 PolarHBondContact O-N 3.44Å; L10-Q12 VanDerWaalsContact C-N 3.29Å; L10-Q12 PolarHBondContact O-N 3.27Å; L10-E13 PolarHBondContact O-N 3.03Å; L10-R14 WeakPolarHBondContact O-CB 3.36Å; L10-R14 WeakPolarHBondContact O-CG 3.5Å; L10-R14 PolarHBondContact O-N 2.67Å; L10-L33 HydrophobicContact CD1-CB 4.2Å; L10-L33 HydrophobicContact CD1-CD2 3.23Å; L10-L33 HydrophobicContact CD1-CG 3.46Å; L10-L33 VanDerWaalsContact CD1-CG 3.46Å; L10-L33 HydrophobicContact CG-CD2 3.62Å; L10-L33 HydrophobicContact CG-CG 4.18Å
11A72.3Confident69.1Low58 Ų5897.8 Ų97.848%0.47950%0.499SS..Hα-helixtrans-61.1-39.8177.200000111.5L7 A8 R9 A15L7-A11 WeakPolarHBondContact O-CB 3.46Å; L7-A11 PolarHBondContact O-N 3.39Å; A8-A11 PolarHBondContact O-N 3.2Å; R9-A11 VanDerWaalsContact C-N 3.33Å; R9-A11 PolarHBondContact O-N 3.45Å; A11-A15 PolarHBondContact O-N 3.46Å; A11-A15 VanDerWaalsContact O-N 3.08Å
12Q76.4Confident69.1Low123 Ų12393.3 Ų93.358%0.57548%0.484SS*.Hα-helixtrans-65.5-44.2173.7-71.5175.8-44.200112.3A8 R9 L10 R14 A15 M16A8-Q12 WeakPolarHBondContact O-CG 3.41Å; A8-Q12 PolarHBondContact O-N 3.5Å; R9-Q12 WeakPolarHBondContact O-CB 3.49Å; R9-Q12 PolarHBondContact O-N 3.08Å; L10-Q12 VanDerWaalsContact C-N 3.29Å; L10-Q12 PolarHBondContact O-N 3.27Å; Q12-R14 PolarHBondContact O-N 2.88Å; Q12-A15 PolarHBondContact O-N 3.42Å; Q12-M16 WeakPolarHBondContact O-CG 3.49Å; Q12-M16 PolarHBondContact O-N 3.25Å
13E69.4Low68.9Low63 Ų6397.1 Ų97.129%0.29449%0.491SS..Hα-helixtrans-62.4-42.4177.4-73.2179.3179.400111.8R9 L10 A15 M16 W17R9-E13 IonicContact CZ-OE1 2.77Å; R9-E13 VanDerWaalsContact CZ-OE1 3.25Å; R9-E13 IonicContact NE-OE1 3.21Å; R9-E13 PolarHBondContact NE-OE1 3.26Å; R9-E13 IonicContact NH2-OE1 3.69Å; R9-E13 PolarHBondContact NH2-OE1 3.08Å; R9-E13 WeakPolarHBondContact O-CG 3.4Å; R9-E13 PolarHBondContact O-N 3.42Å; L10-E13 PolarHBondContact O-N 3.03Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A15 PolarHBondContact O-N 2.89Å; E13-M16 HydrophobicContact CG-CE 4.06Å; E13-M16 PolarHBondContact O-N 2.93Å; E13-W17 WeakPolarHBondContact O-CB 3.38Å; E13-W17 PolarHBondContact O-N 2.95Å
14R69.2Low68.3Low89 Ų8994.5 Ų94.534%0.33648%0.482SS..Hα-helixtrans-59.9-41.3172.7-73.4177.7-179.2-177.3-3.3112.4L10 Q12 K18 L29 L31 S32L10-R14 WeakPolarHBondContact O-CB 3.36Å; L10-R14 WeakPolarHBondContact O-CG 3.5Å; L10-R14 PolarHBondContact O-N 2.67Å; Q12-R14 PolarHBondContact O-N 2.88Å; R14-K18 WeakPolarHBondContact O-CG 3.42Å; R14-K18 PolarHBondContact O-N 3.43Å; R14-K18 VanDerWaalsContact O-N 3.08Å; R14-L29 HydrophobicContact CB-CD2 4.17Å; R14-L29 HydrophobicContact CG-CD2 4.22Å; R14-L29 PolarHBondContact NE-O 2.9Å; R14-L31 PolarHBondContact NH2-O 3.33Å; R14-S32 VanDerWaalsContact NH2-CA 3.29Å
15A72.7Confident67.5Low63 Ų6390.9 Ų90.952%0.52148%0.478SS..Hα-helixtrans-66.9-40.717900000112.1A11 Q12 E13 K19A11-A15 PolarHBondContact O-N 3.46Å; A11-A15 VanDerWaalsContact O-N 3.08Å; Q12-A15 PolarHBondContact O-N 3.42Å; E13-A15 VanDerWaalsContact C-N 3.33Å; E13-A15 PolarHBondContact O-N 2.89Å; A15-K19 PolarHBondContact O-N 2.77Å
16M71.2Confident66.5Low109 Ų10991.2 Ų91.254%0.53749%0.486SS..Hα-helixtrans-65.6-45.6174.4-70.3-174.8-6100111.6Q12 E13 K18 K19 D20Q12-M16 WeakPolarHBondContact O-CG 3.49Å; Q12-M16 PolarHBondContact O-N 3.25Å; E13-M16 HydrophobicContact CG-CE 4.06Å; E13-M16 PolarHBondContact O-N 2.93Å; M16-K18 VanDerWaalsContact C-N 3.33Å; M16-K18 PolarHBondContact O-N 3.12Å; M16-K19 WeakPolarHBondContact O-CA 3.5Å; M16-K19 VanDerWaalsContact O-CB 3.27Å; M16-K19 WeakPolarHBondContact O-CB 3.27Å; M16-K19 PolarHBondContact O-N 3.23Å; M16-D20 PolarHBondContact O-N 3.32Å; M16-D20 VanDerWaalsContact O-N 3.14Å
17W62.2Low65.7Low67 Ų6792.4 Ų92.425%0.25449%0.491SS..Hα-helixtrans-63.7-37.7-178.6-166.297000112.4E13 K19 D20 H21 V28 L29E13-W17 WeakPolarHBondContact O-CB 3.38Å; E13-W17 PolarHBondContact O-N 2.95Å; W17-K19 PolarHBondContact O-N 3.14Å; W17-D20 PolarHBondContact O-N 2.98Å; W17-H21 AromaticContact CD1-CE1 3.74Å; W17-H21 AromaticContact CD1-ND1 3.7Å; W17-H21 HydrophobicContact CD2-CB 4.2Å; W17-H21 AromaticContact CD2-CG 3.98Å; W17-H21 AromaticContact CD2-ND1 3.58Å; W17-H21 AromaticContact CE2-CE1 3.9Å; W17-H21 AromaticContact CE2-CG 3.78Å; W17-H21 AromaticContact CE2-ND1 3.56Å; W17-H21 HydrophobicContact CE3-CB 3.9Å; W17-H21 AromaticContact CG-ND1 3.74Å; W17-H21 HydrophobicContact CH2-CB 4Å; W17-H21 HydrophobicContact CZ2-CB 4.21Å; W17-H21 AromaticContact CZ2-CG 3.93Å; W17-H21 HydrophobicContact CZ3-CB 3.82Å; W17-H21 AromaticContact NE1-CE1 3.51Å; W17-H21 AromaticContact NE1-ND1 3.58Å; W17-H21 WeakPolarHBondContact O-CB 3.49Å; W17-H21 PolarHBondContact O-N 3.35Å; W17-H21 PolarHBondContact O-ND1 2.91Å; W17-H21 VanDerWaalsContact O-ND1 3.12Å; W17-V28 HydrophobicContact CH2-CB 3.66Å; W17-V28 HydrophobicContact CH2-CG1 4.13Å; W17-V28 HydrophobicContact CH2-CG2 4Å; W17-V28 HydrophobicContact CZ2-CB 3.96Å; W17-V28 HydrophobicContact CZ2-CG1 3.9Å; W17-V28 HydrophobicContact CZ2-CG2 4.31Å; W17-V28 HydrophobicContact CZ3-CB 4.34Å; W17-L29 HydrophobicContact CB-CD2 4.05Å; W17-L29 HydrophobicContact CD2-CD2 3.97Å; W17-L29 HydrophobicContact CD2-CG 4.36Å; W17-L29 HydrophobicContact CE3-CD1 3.56Å; W17-L29 HydrophobicContact CE3-CD2 3.48Å; W17-L29 VanDerWaalsContact CE3-CD2 3.48Å; W17-L29 HydrophobicContact CE3-CG 3.47Å; W17-L29 VanDerWaalsContact CE3-CG 3.47Å; W17-L29 HydrophobicContact CG-CD2 4.25Å; W17-L29 HydrophobicContact CZ3-CD1 3.68Å; W17-L29 HydrophobicContact CZ3-CD2 4.17Å; W17-L29 HydrophobicContact CZ3-CG 3.64Å
18K66.8Low64.9Low133 Ų13392.4 Ų92.458%0.57849%0.494SS*.Hα-helixtrans-56.7-35.6170.9-80-179179.8-175.50113.2R14 M16 L29R14-K18 WeakPolarHBondContact O-CG 3.42Å; R14-K18 PolarHBondContact O-N 3.43Å; R14-K18 VanDerWaalsContact O-N 3.08Å; M16-K18 VanDerWaalsContact C-N 3.33Å; M16-K18 PolarHBondContact O-N 3.12Å; K18-L29 HydrophobicContact CB-CD1 4.43Å; K18-L29 HydrophobicContact CD-CD1 4.13Å; K18-L29 HydrophobicContact CG-CD1 3.25Å; K18-L29 HydrophobicContact CG-CD2 4.43Å; K18-L29 HydrophobicContact CG-CG 4.44Å
19K72.2Confident64.1Low173 Ų17391.1 Ų91.175%0.75248%0.479SS*.Hα-helixtrans-71.5-41.1179.1-176.2-175.4174.6-175.50111.3A15 M16 W17A15-K19 PolarHBondContact O-N 2.77Å; M16-K19 WeakPolarHBondContact O-CA 3.5Å; M16-K19 VanDerWaalsContact O-CB 3.27Å; M16-K19 WeakPolarHBondContact O-CB 3.27Å; M16-K19 PolarHBondContact O-N 3.23Å; W17-K19 PolarHBondContact O-N 3.14Å
20D71.1Confident63.3Low114 Ų11485.1 Ų85.161%0.6146%0.46SS*.Hα-helixtrans-79.2-24.7-177.6-63-21.6000112.5M16 W17 P22M16-D20 PolarHBondContact O-N 3.32Å; M16-D20 VanDerWaalsContact O-N 3.14Å; W17-D20 PolarHBondContact O-N 2.98Å; D20-P22 VanDerWaalsContact C-CD 3.44Å; D20-P22 WeakPolarHBondContact O-CD 3.42Å
21H63.5Low63.1Low77 Ų7784.8 Ų84.836%0.35646%0.458SS..  trans-126.863.5-176.1-52.178.5000112.2W17 F23 S24W17-H21 AromaticContact CD1-CE1 3.74Å; W17-H21 AromaticContact CD1-ND1 3.7Å; W17-H21 HydrophobicContact CD2-CB 4.2Å; W17-H21 AromaticContact CD2-CG 3.98Å; W17-H21 AromaticContact CD2-ND1 3.58Å; W17-H21 AromaticContact CE2-CE1 3.9Å; W17-H21 AromaticContact CE2-CG 3.78Å; W17-H21 AromaticContact CE2-ND1 3.56Å; W17-H21 HydrophobicContact CE3-CB 3.9Å; W17-H21 AromaticContact CG-ND1 3.74Å; W17-H21 HydrophobicContact CH2-CB 4Å; W17-H21 HydrophobicContact CZ2-CB 4.21Å; W17-H21 AromaticContact CZ2-CG 3.93Å; W17-H21 HydrophobicContact CZ3-CB 3.82Å; W17-H21 AromaticContact NE1-CE1 3.51Å; W17-H21 AromaticContact NE1-ND1 3.58Å; W17-H21 WeakPolarHBondContact O-CB 3.49Å; W17-H21 PolarHBondContact O-N 3.35Å; W17-H21 PolarHBondContact O-ND1 2.91Å; W17-H21 VanDerWaalsContact O-ND1 3.12Å; H21-F23 PolarHBondContact O-N 3.31Å; H21-F23 VanDerWaalsContact O-N 3.11Å; H21-S24 PolarHBondContact O-N 3.11Å
22P63.9Low62.7Low92 Ų9284.1 Ų84.160%0.59745%0.45SS*.THydrogen-bonded Turntrans-63.8-20-17624.6-33.2000113.9D20D20-P22 VanDerWaalsContact C-CD 3.44Å; D20-P22 WeakPolarHBondContact O-CD 3.42Å
23F60.4Low62.1Low199 Ų19981.1 Ų81.187%0.87344%0.437SS*.THydrogen-bonded Turntrans-114.5-2.5-178.1-54-69.5000114.1H21 G25H21-F23 PolarHBondContact O-N 3.31Å; H21-F23 VanDerWaalsContact O-N 3.11Å; F23-G25 PolarHBondContact O-N 3.49Å; F23-G25 VanDerWaalsContact O-N 3.09Å
24S52.3Low62Low58 Ų5882.7 Ų82.741%0.40645%0.451SS..SBendtrans-80.596.9173.3-164.10000107.6H21H21-S24 PolarHBondContact O-N 3.11Å
25G49.9Very low62.6Low49 Ų4979.2 Ų79.251%0.50544%0.441SS..  trans-48.2146.2-169.500000113.9F23 C27F23-G25 PolarHBondContact O-N 3.49Å; F23-G25 VanDerWaalsContact O-N 3.09Å; G25-C27 PolarHBondContact O-N 3.2Å
26T49.5Very low63.3Low117 Ų11777.9 Ų77.972%0.71843%0.426SS*.THydrogen-bonded Turntrans-19.3-17.8177.2-40.90000120
27C50.5Low63.9Low62 Ų6272.9 Ų72.942%0.41940%0.402SS..THydrogen-bonded Turntrans-67.7-37.6-175.5-75.80000115.2G25 F37 L41G25-C27 PolarHBondContact O-N 3.2Å; C27-F37 WeakPolarHBondContact O-CE1 3.46Å; C27-L41 HydrophobicContact CB-CD1 4.1Å; C27-L41 WeakPolarHBondContact SG-CD1 3.5Å
28V52.8Low64.8Low69 Ų6976 Ų7642%0.41842%0.423SS..G310 helixtrans-80.5-22.6-170.5-171.30000112.6W17W17-V28 HydrophobicContact CH2-CB 3.66Å; W17-V28 HydrophobicContact CH2-CG1 4.13Å; W17-V28 HydrophobicContact CH2-CG2 4Å; W17-V28 HydrophobicContact CZ2-CB 3.96Å; W17-V28 HydrophobicContact CZ2-CG1 3.9Å; W17-V28 HydrophobicContact CZ2-CG2 4.31Å; W17-V28 HydrophobicContact CZ3-CB 4.34Å
29L56.1Low65.7Low29 Ų2973.9 Ų73.915%0.15242%0.423CS..G310 helixtrans-93.2-4.4-171.4-71.5166.3000115R14 W17 K18 L31R14-L29 HydrophobicContact CB-CD2 4.17Å; R14-L29 HydrophobicContact CG-CD2 4.22Å; R14-L29 PolarHBondContact NE-O 2.9Å; W17-L29 HydrophobicContact CB-CD2 4.05Å; W17-L29 HydrophobicContact CD2-CD2 3.97Å; W17-L29 HydrophobicContact CD2-CG 4.36Å; W17-L29 HydrophobicContact CE3-CD1 3.56Å; W17-L29 HydrophobicContact CE3-CD2 3.48Å; W17-L29 VanDerWaalsContact CE3-CD2 3.48Å; W17-L29 HydrophobicContact CE3-CG 3.47Å; W17-L29 VanDerWaalsContact CE3-CG 3.47Å; W17-L29 HydrophobicContact CG-CD2 4.25Å; W17-L29 HydrophobicContact CZ3-CD1 3.68Å; W17-L29 HydrophobicContact CZ3-CD2 4.17Å; W17-L29 HydrophobicContact CZ3-CG 3.64Å; K18-L29 HydrophobicContact CB-CD1 4.43Å; K18-L29 HydrophobicContact CD-CD1 4.13Å; K18-L29 HydrophobicContact CG-CD1 3.25Å; K18-L29 HydrophobicContact CG-CD2 4.43Å; K18-L29 HydrophobicContact CG-CG 4.44Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 2.86Å
30A58.6Low66.4Low16 Ų1668.9 Ų68.913%0.13241%0.408CS..G310 helixtrans-83-4-175.900000113.4S32 F37 D38A30-S32 PolarHBondContact O-N 3.36Å; A30-F37 HydrophobicContact CB-CB 4.47Å; A30-F37 HydrophobicContact CB-CD1 3.98Å; A30-F37 WeakPolarHBondContact O-CA 3.46Å; A30-D38 VanDerWaalsContact CB-O 3.31Å; A30-D38 WeakPolarHBondContact CB-O 3.49Å; A30-D38 PolarHBondContact O-N 3.39Å
31L63.3Low67Low20 Ų2064.8 Ų64.811%0.10539%0.386CS..BIsolated β-bridgetrans-78109.5-174.3-168.278.6000113.6R14 L29 S35 V36 F37 V52 L73 I76R14-L31 PolarHBondContact NH2-O 3.33Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 2.86Å; L31-S35 VanDerWaalsContact CD1-C 3.44Å; L31-V36 CarbonylContact C-O 3.34Å; L31-V36 VanDerWaalsContact CA-O 3.31Å; L31-V36 WeakPolarHBondContact CA-O 3.49Å; L31-F37 HydrophobicContact CB-CD1 4.34Å; L31-F37 HydrophobicContact CB-CE1 4.06Å; L31-F37 HydrophobicContact CD1-CD1 4.33Å; L31-F37 HydrophobicContact CD1-CE1 4.07Å; L31-F37 HydrophobicContact CD1-CE2 4.31Å; L31-F37 HydrophobicContact CD1-CZ 4.04Å; L31-V52 HydrophobicContact CD1-CG2 3.91Å; L31-L73 HydrophobicContact CD2-CD2 3.83Å; L31-I76 HydrophobicContact CD1-CD1 4.14Å; L31-I76 HydrophobicContact CD2-CD1 3.43Å; L31-I76 VanDerWaalsContact CD2-CD1 3.43Å; L31-I76 HydrophobicContact CD2-CG2 4.32Å; L31-I76 HydrophobicContact CG-CD1 4.4Å
32S64.7Low68.1Low45 Ų4566.2 Ų66.232%0.31539%0.392SS..  trans-67.4166.4172.5-172.90000113.5R14 A30 T34 S35 V36R14-S32 VanDerWaalsContact NH2-CA 3.29Å; A30-S32 PolarHBondContact O-N 3.36Å; S32-T34 PolarHBondContact O-N 2.91Å; S32-T34 PolarHBondContact OG-OG1 3.46Å; S32-S35 PolarHBondContact O-N 2.96Å; S32-V36 PolarHBondContact N-O 3.09Å
33L63.2Low69.2Low59 Ų5962.4 Ų62.431%0.30937%0.366SS..THydrogen-bonded Turntrans-52.6-19.7170.3-84.8-177.6000113.1L3 A6 L7 L10L3-L33 HydrophobicContact CD1-CD1 3.82Å; A6-L33 HydrophobicContact CB-CD1 3.92Å; A6-L33 HydrophobicContact CB-CD2 4.18Å; L7-L33 HydrophobicContact CB-CD1 4.29Å; L7-L33 HydrophobicContact CD2-CB 4.34Å; L7-L33 HydrophobicContact CD2-CD1 3.33Å; L7-L33 HydrophobicContact CD2-CG 3.8Å; L7-L33 HydrophobicContact CG-CD1 3.45Å; L7-L33 VanDerWaalsContact CG-CD1 3.45Å; L7-L33 HydrophobicContact CG-CG 4.4Å; L10-L33 HydrophobicContact CD1-CB 4.2Å; L10-L33 HydrophobicContact CD1-CD2 3.23Å; L10-L33 HydrophobicContact CD1-CG 3.46Å; L10-L33 VanDerWaalsContact CD1-CG 3.46Å; L10-L33 HydrophobicContact CG-CD2 3.62Å; L10-L33 HydrophobicContact CG-CG 4.18Å
34T68Low70.7Confident96 Ų9652.9 Ų52.959%0.58932%0.324SS*.THydrogen-bonded Turntrans-94.512.8179.255.20000113.5S32 V36S32-T34 PolarHBondContact O-N 2.91Å; S32-T34 PolarHBondContact OG-OG1 3.46Å; T34-V36 VanDerWaalsContact C-N 3.34Å; T34-V36 PolarHBondContact O-N 2.65Å; T34-V36 WeakPolarHBondContact OG1-CG2 3.35Å
35S81.9Confident72.7Confident17 Ų1750.1 Ų50.112%0.11931%0.305CS..SBendtrans57.643.4-177-44.50000113.3L31 S32 V52 L57L31-S35 VanDerWaalsContact CD1-C 3.44Å; S32-S35 PolarHBondContact O-N 2.96Å; S35-V52 WeakPolarHBondContact O-CG2 3.31Å; S35-V52 PolarHBondContact O-N 3.48Å; S35-L57 WeakPolarHBondContact OG-CD1 3.31Å
36V86.8Confident74.6Confident34 Ų3447.9 Ų47.921%0.20628%0.281CS..BIsolated β-bridgetrans-118.4128.1-179.7176.40000109.3L31 S32 T34 S49 G50L31-V36 CarbonylContact C-O 3.34Å; L31-V36 VanDerWaalsContact CA-O 3.31Å; L31-V36 WeakPolarHBondContact CA-O 3.49Å; S32-V36 PolarHBondContact N-O 3.09Å; T34-V36 VanDerWaalsContact C-N 3.34Å; T34-V36 PolarHBondContact O-N 2.65Å; T34-V36 WeakPolarHBondContact OG1-CG2 3.35Å; V36-S49 WeakPolarHBondContact CG1-O 3.31Å; V36-G50 CarbonylContact C-O 3.54Å; V36-G50 WeakPolarHBondContact CA-O 3.43Å
37F83.7Confident76.7Confident5 Ų546.4 Ų46.42%0.02227%0.265CS..BIsolated β-bridgetrans-81.3125.7168.7-69.2-66.5000111C27 A30 L31 P39 L41 V46 G50 V52 I76 I80C27-F37 WeakPolarHBondContact O-CE1 3.46Å; A30-F37 HydrophobicContact CB-CB 4.47Å; A30-F37 HydrophobicContact CB-CD1 3.98Å; A30-F37 WeakPolarHBondContact O-CA 3.46Å; L31-F37 HydrophobicContact CB-CD1 4.34Å; L31-F37 HydrophobicContact CB-CE1 4.06Å; L31-F37 HydrophobicContact CD1-CD1 4.33Å; L31-F37 HydrophobicContact CD1-CE1 4.07Å; L31-F37 HydrophobicContact CD1-CE2 4.31Å; L31-F37 HydrophobicContact CD1-CZ 4.04Å; F37-P39 CarbonylContact C-O 3.49Å; F37-P39 CarbonylContact O-C 3.35Å; F37-L41 HydrophobicContact CB-CB 4.36Å; F37-L41 HydrophobicContact CD2-CB 4.01Å; F37-L41 HydrophobicContact CD2-CD2 4.44Å; F37-L41 HydrophobicContact CE2-CD2 4.17Å; F37-L41 HydrophobicContact CG-CB 4.2Å; F37-L41 HydrophobicContact CZ-CD2 4.47Å; F37-V46 HydrophobicContact CD2-CG1 4.04Å; F37-V46 HydrophobicContact CD2-CG2 3.83Å; F37-V46 HydrophobicContact CE2-CG2 3.87Å; F37-G50 PolarHBondContact N-O 3.13Å; F37-G50 WeakPolarHBondContact O-CA 3.21Å; F37-V52 HydrophobicContact CD2-CG2 3.7Å; F37-V52 HydrophobicContact CE2-CG2 3.37Å; F37-V52 HydrophobicContact CZ-CG2 4.24Å; F37-I76 HydrophobicContact CZ-CG2 4.09Å; F37-I80 HydrophobicContact CZ-CD1 3.79Å; F37-I80 HydrophobicContact CZ-CG1 4.4Å
38D82.8Confident78.6Confident131 Ų13147.8 Ų47.870%0.70127%0.273SS*.SBendtrans-126.9107.9171-17722.9000110.4A30A30-D38 VanDerWaalsContact CB-O 3.31Å; A30-D38 WeakPolarHBondContact CB-O 3.49Å; A30-D38 PolarHBondContact O-N 3.39Å
39P84.8Confident80.4Confident90 Ų9048 Ų4858%0.58428%0.278SS*.SBendcis-72.1160.94.831.3-36.5000113.4F37 L41F37-P39 CarbonylContact C-O 3.49Å; F37-P39 CarbonylContact O-C 3.35Å; P39-L41 PolarHBondContact O-N 3.37Å
40P86.1Confident82Confident67 Ų6746.7 Ų46.744%0.43527%0.271SS..PPolyproline II helixtrans-55.6135.6176-25.834.5000112.6P48P40-P48 WeakPolarHBondContact CG-O 3.33Å
41L84.3Confident83.5Confident28 Ų2848.5 Ų48.515%0.14728%0.281CS..PPolyproline II helixtrans-82.4135.7178.9-173.467.2000110.8C27 F37 P39 H43 V46C27-L41 HydrophobicContact CB-CD1 4.1Å; C27-L41 WeakPolarHBondContact SG-CD1 3.5Å; F37-L41 HydrophobicContact CB-CB 4.36Å; F37-L41 HydrophobicContact CD2-CB 4.01Å; F37-L41 HydrophobicContact CD2-CD2 4.44Å; F37-L41 HydrophobicContact CE2-CD2 4.17Å; F37-L41 HydrophobicContact CG-CB 4.2Å; F37-L41 HydrophobicContact CZ-CD2 4.47Å; P39-L41 PolarHBondContact O-N 3.37Å; L41-H43 VanDerWaalsContact C-N 3.33Å; L41-H43 HydrophobicContact CB-CB 4.43Å; L41-H43 HydrophobicContact CD2-CB 3.82Å; L41-H43 HydrophobicContact CG-CB 3.9Å; L41-H43 PolarHBondContact O-N 2.93Å; L41-V46 HydrophobicContact CB-CG1 4.27Å; L41-V46 HydrophobicContact CB-CG2 4.31Å; L41-V46 HydrophobicContact CD2-CG2 4.44Å
42F86.8Confident84.8Confident108 Ų10848 Ų4847%0.47428%0.278SS..  trans-72.988.6169-171.6-94.9000109.4E92 P93 T96F42-E92 HydrophobicContact CE2-CG 4.02Å; F42-E92 HydrophobicContact CZ-CG 4.1Å; F42-P93 HydrophobicContact CD1-CB 4.03Å; F42-P93 HydrophobicContact CD1-CG 4.25Å; F42-P93 HydrophobicContact CD2-CG 3.87Å; F42-P93 HydrophobicContact CE1-CB 3.81Å; F42-P93 HydrophobicContact CE1-CG 4.14Å; F42-P93 HydrophobicContact CE2-CB 4.32Å; F42-P93 HydrophobicContact CE2-CG 3.75Å; F42-P93 HydrophobicContact CG-CB 4.38Å; F42-P93 HydrophobicContact CG-CG 4.13Å; F42-P93 HydrophobicContact CZ-CB 3.97Å; F42-P93 HydrophobicContact CZ-CG 3.89Å; F42-T96 HydrophobicContact CE1-CG2 4.33Å
43H87.7Confident86.1Confident11 Ų1147.2 Ų47.25%0.05127%0.273CS..  trans-149.9142.2-173.2-174.3-91.1000111.5L41 N45 V46 L79L41-H43 VanDerWaalsContact C-N 3.33Å; L41-H43 HydrophobicContact CB-CB 4.43Å; L41-H43 HydrophobicContact CD2-CB 3.82Å; L41-H43 HydrophobicContact CG-CB 3.9Å; L41-H43 PolarHBondContact O-N 2.93Å; H43-N45 PolarHBondContact CE1-OD1 3.05Å; H43-N45 PolarHBondContact ND1-N 3.42Å; H43-N45 PolarHBondContact O-N 2.8Å; H43-V46 HydrophobicContact CB-CB 4.07Å; H43-V46 HydrophobicContact CB-CG2 3.8Å; H43-V46 PolarHBondContact O-N 3.3Å; H43-L79 PolarHBondContact CE1-O 3.45Å; H43-L79 PolarHBondContact NE2-O 2.82Å; H43-L79 VanDerWaalsContact NE2-O 3.16Å
44P92Very high87.4Confident0 Ų045.9 Ų45.90%027%0.266CS..THydrogen-bonded Turntrans-58.4-33.4-176-26.735.4000113.2P83 P88 A89 Q90 P93 F94 L97P44-P83 HydrophobicContact CB-CB 4.35Å; P44-P83 HydrophobicContact CG-CB 3.99Å; P44-P83 HydrophobicContact CG-CG 4.42Å; P44-P88 CarbonylContact O-C 3.55Å; P44-A89 WeakPolarHBondContact O-CA 3.47Å; P44-A89 WeakPolarHBondContact O-CB 3.39Å; P44-A89 PolarHBondContact O-N 3.16Å; P44-Q90 PolarHBondContact O-N 3.44Å; P44-P93 HydrophobicContact CG-CB 4.23Å; P44-F94 HydrophobicContact CB-CB 4.22Å; P44-L97 HydrophobicContact CG-CD1 3.79Å
45N92.9Very high88.5Confident0 Ų043.1 Ų43.10%025%0.25CC..THydrogen-bonded Turntrans-105.921.5-177.8-47.2106.8000114.3H43 C53 L79 P83 N84 D87H43-N45 PolarHBondContact CE1-OD1 3.05Å; H43-N45 PolarHBondContact ND1-N 3.42Å; H43-N45 PolarHBondContact O-N 2.8Å; N45-C53 WeakPolarHBondContact O-CB 3.35Å; N45-C53 PolarHBondContact O-N 2.66Å; N45-L79 HydrophobicContact CB-CD1 4.01Å; N45-L79 HydrophobicContact CB-CD2 3.84Å; N45-L79 HydrophobicContact CB-CG 4.11Å; N45-P83 WeakPolarHBondContact OD1-CA 3.44Å; N45-N84 PolarHBondContact ND2-O 2.97Å; N45-N84 PolarHBondContact OD1-N 2.95Å; N45-D87 PolarHBondContact ND2-O 2.83Å
46V90.8Very high88.9Confident2 Ų243.8 Ų43.81%0.01225%0.252CS..BIsolated β-bridgetrans-117133.1172176.30000107.3F37 L41 H43 T51 V52 Q90F37-V46 HydrophobicContact CD2-CG1 4.04Å; F37-V46 HydrophobicContact CD2-CG2 3.83Å; F37-V46 HydrophobicContact CE2-CG2 3.87Å; L41-V46 HydrophobicContact CB-CG1 4.27Å; L41-V46 HydrophobicContact CB-CG2 4.31Å; L41-V46 HydrophobicContact CD2-CG2 4.44Å; H43-V46 HydrophobicContact CB-CB 4.07Å; H43-V46 HydrophobicContact CB-CG2 3.8Å; H43-V46 PolarHBondContact O-N 3.3Å; V46-T51 WeakPolarHBondContact CA-O 3.39Å; V46-V52 HydrophobicContact CG2-CG2 4.38Å; V46-Q90 VanDerWaalsContact O-CD 3.3Å; V46-Q90 WeakPolarHBondContact O-CG 3.45Å; V46-Q90 PolarHBondContact O-NE2 3.21Å
47F92.3Very high88.9Confident85 Ų8544.5 Ų44.537%0.37325%0.254SS..  trans-75.1162.3176.1-75.5-76.8000111.8S49 G50 T51 C53 A89F47-S49 WeakPolarHBondContact CB-OG 3.35Å; F47-S49 PolarHBondContact O-N 3.22Å; F47-G50 WeakPolarHBondContact O-CA 3.33Å; F47-G50 PolarHBondContact O-N 3.07Å; F47-T51 PolarHBondContact N-O 3.33Å; F47-C53 HydrophobicContact CE2-CB 3.98Å; F47-A89 HydrophobicContact CD1-CB 4Å; F47-A89 HydrophobicContact CD2-CB 4.21Å; F47-A89 HydrophobicContact CE1-CB 3.85Å; F47-A89 HydrophobicContact CE2-CB 4.08Å; F47-A89 HydrophobicContact CG-CB 4.18Å; F47-A89 HydrophobicContact CZ-CB 3.89Å
48P90.7Very high89.1Confident91 Ų9147.1 Ų47.159%0.59127%0.268SS*.THydrogen-bonded Turntrans-56.8-21.9171.4-25.535.2000114P40 G50 Q90P40-P48 WeakPolarHBondContact CG-O 3.33Å; P48-G50 PolarHBondContact O-N 3.41Å; P48-Q90 HydrophobicContact CG-CG 4.23Å
49S91.3Very high89.2Confident75 Ų7546 Ų4652%0.52427%0.266SS..THydrogen-bonded Turntrans-72.5-8.3171.760.70000114.2V36 F47 T51V36-S49 WeakPolarHBondContact CG1-O 3.31Å; F47-S49 WeakPolarHBondContact CB-OG 3.35Å; F47-S49 PolarHBondContact O-N 3.22Å; S49-T51 VanDerWaalsContact C-N 3.3Å; S49-T51 WeakPolarHBondContact OG-CB 3.29Å; S49-T51 PolarHBondContact OG-N 2.65Å; S49-T51 PolarHBondContact OG-OG1 3.2Å
50G88.7Confident89.4Confident0 Ų050.3 Ų50.30%028%0.279CS..SBendtrans85.6-8.1-170.800000114.5V36 F37 F47 P48 V52V36-G50 CarbonylContact C-O 3.54Å; V36-G50 WeakPolarHBondContact CA-O 3.43Å; F37-G50 PolarHBondContact N-O 3.13Å; F37-G50 WeakPolarHBondContact O-CA 3.21Å; F47-G50 WeakPolarHBondContact O-CA 3.33Å; F47-G50 PolarHBondContact O-N 3.07Å; P48-G50 PolarHBondContact O-N 3.41Å; G50-V52 PolarHBondContact O-N 2.9Å
51T90.9Very high89.5Confident55 Ų5552.2 Ų52.234%0.33728%0.28SS..BIsolated β-bridgetrans-65.4130.2-179.3-51.20000111.3V46 F47 S49V46-T51 WeakPolarHBondContact CA-O 3.39Å; F47-T51 PolarHBondContact N-O 3.33Å; S49-T51 VanDerWaalsContact C-N 3.3Å; S49-T51 WeakPolarHBondContact OG-CB 3.29Å; S49-T51 PolarHBondContact OG-N 2.65Å; S49-T51 PolarHBondContact OG-OG1 3.2Å
52V90.6Very high89.8Confident9 Ų954.9 Ų54.96%0.05530%0.295CS..BIsolated β-bridgetrans-79.1129.2176.8-178.80000110.9L31 S35 F37 V46 G50 L54 L57 I76 L79L31-V52 HydrophobicContact CD1-CG2 3.91Å; S35-V52 WeakPolarHBondContact O-CG2 3.31Å; S35-V52 PolarHBondContact O-N 3.48Å; F37-V52 HydrophobicContact CD2-CG2 3.7Å; F37-V52 HydrophobicContact CE2-CG2 3.37Å; F37-V52 HydrophobicContact CZ-CG2 4.24Å; V46-V52 HydrophobicContact CG2-CG2 4.38Å; G50-V52 PolarHBondContact O-N 2.9Å; V52-L54 HydrophobicContact CG1-CB 4.14Å; V52-L57 HydrophobicContact CB-CD1 4.36Å; V52-L57 HydrophobicContact CG1-CD1 4.49Å; V52-I76 HydrophobicContact CG1-CG1 4.34Å; V52-L79 HydrophobicContact CG1-CD2 3.58Å
53C91.6Very high90.1Very high29 Ų2955.1 Ų55.120%0.19629%0.292CS..  trans-91.899.7170.7-168.80000109.6N45 F47 L79 A89N45-C53 WeakPolarHBondContact O-CB 3.35Å; N45-C53 PolarHBondContact O-N 2.66Å; F47-C53 HydrophobicContact CE2-CB 3.98Å; C53-L79 WeakPolarHBondContact O-CD2 3.2Å; C53-A89 HydrophobicContact CB-CB 4.09Å
54L90Very high90.2Very high31 Ų3162.5 Ų62.516%0.16232%0.32CS..  trans-140.1132177.2-174.765.5000109V52 I56 L57 I76 L79V52-L54 HydrophobicContact CG1-CB 4.14Å; L54-I56 VanDerWaalsContact C-N 3.26Å; L54-I56 HydrophobicContact CD2-CD1 3.61Å; L54-I56 HydrophobicContact CD2-CG1 3.63Å; L54-I56 HydrophobicContact CG-CD1 4.31Å; L54-I56 HydrophobicContact CG-CG1 3.89Å; L54-I56 PolarHBondContact O-N 2.87Å; L54-L57 HydrophobicContact CB-CD1 4.07Å; L54-L57 HydrophobicContact CB-CG 4.26Å; L54-L57 WeakPolarHBondContact O-CB 3.37Å; L54-L57 PolarHBondContact O-N 2.84Å; L54-I76 HydrophobicContact CD2-CG1 3.96Å; L54-L79 HydrophobicContact CB-CD2 4.2Å; L54-L79 HydrophobicContact CD1-CB 4.37Å; L54-L79 HydrophobicContact CD1-CD1 4.24Å; L54-L79 HydrophobicContact CD1-CD2 4.14Å; L54-L79 HydrophobicContact CD1-CG 4.49Å
55S91.8Very high90Very high37 Ų3768.7 Ų68.726%0.25936%0.358SS..G310 helixtrans-61.8-30.6-170.761.20000114L57 D58 D62S55-L57 PolarHBondContact O-N 3.27Å; S55-D58 PolarHBondContact O-N 2.96Å; S55-D58 VanDerWaalsContact O-N 3.12Å; S55-D62 WeakPolarHBondContact CB-OD2 3.5Å; S55-D62 PolarHBondContact O-N 3.23Å; S55-D62 VanDerWaalsContact O-N 3.13Å; S55-D62 PolarHBondContact OG-OD2 3.19Å
56I89.6Confident90Very high31 Ų3172.9 Ų72.916%0.15939%0.387CS..G310 helixtrans-70.4-13.7177.274.8-176.2000113.2L54 D62 W63 L67L54-I56 VanDerWaalsContact C-N 3.26Å; L54-I56 HydrophobicContact CD2-CD1 3.61Å; L54-I56 HydrophobicContact CD2-CG1 3.63Å; L54-I56 HydrophobicContact CG-CD1 4.31Å; L54-I56 HydrophobicContact CG-CG1 3.89Å; L54-I56 PolarHBondContact O-N 2.87Å; I56-D62 HydrophobicContact CG2-CB 4.14Å; I56-W63 VanDerWaalsContact O-CD1 3.29Å; I56-L67 HydrophobicContact CB-CD1 3.82Å; I56-L67 WeakPolarHBondContact O-CD1 3.45Å
57L88.4Confident89.9Confident50 Ų5075 Ų7526%0.26240%0.398SS..G310 helixtrans-91.7-7.4174.2-62177.2000112.5S35 V52 L54 S55 I72 I76S35-L57 WeakPolarHBondContact OG-CD1 3.31Å; V52-L57 HydrophobicContact CB-CD1 4.36Å; V52-L57 HydrophobicContact CG1-CD1 4.49Å; L54-L57 HydrophobicContact CB-CD1 4.07Å; L54-L57 HydrophobicContact CB-CG 4.26Å; L54-L57 WeakPolarHBondContact O-CB 3.37Å; L54-L57 PolarHBondContact O-N 2.84Å; S55-L57 PolarHBondContact O-N 3.27Å; L57-I72 HydrophobicContact CD2-CD1 4.32Å; L57-I72 HydrophobicContact CD2-CG1 4.28Å; L57-I72 HydrophobicContact CD2-CG2 3.68Å; L57-I76 HydrophobicContact CD1-CD1 4.41Å
58D86.6Confident89.6Confident59 Ų5974.3 Ų74.332%0.31640%0.401SS..  trans-104.5116.3-177.2-175.4-15.4000110.4S55 Q60 K61 W63S55-D58 PolarHBondContact O-N 2.96Å; S55-D58 VanDerWaalsContact O-N 3.12Å; D58-Q60 PolarHBondContact O-N 3.12Å; D58-Q60 VanDerWaalsContact O-N 3.11Å; D58-Q60 PolarHBondContact OD1-N 2.95Å; D58-K61 HydrophobicContact CB-CB 4.09Å; D58-K61 HydrophobicContact CB-CD 4.16Å; D58-K61 HydrophobicContact CB-CG 4.12Å; D58-K61 PolarHBondContact O-N 2.92Å; D58-K61 WeakPolarHBondContact OD2-CD 3.47Å; D58-K61 WeakPolarHBondContact OD2-CE 3.38Å; D58-K61 WeakPolarHBondContact OD2-CG 3.49Å; D58-W63 WeakPolarHBondContact O-CB 3.34Å; D58-W63 PolarHBondContact O-N 3.04Å
59V86.1Confident89.3Confident108 Ų10875.3 Ų75.366%0.65540%0.4SS*.THydrogen-bonded Turntrans-58.1-24.6-179.1179.70000112.4W63V59-W63 HydrophobicContact CG1-CE3 4.23Å; V59-W63 HydrophobicContact CG2-CD2 4.31Å; V59-W63 HydrophobicContact CG2-CE3 4.43Å; V59-W63 HydrophobicContact CG2-CG 4.48Å
60Q88.2Confident88.9Confident181 Ų18178.7 Ų78.785%0.84641%0.405SS*.THydrogen-bonded Turntrans-91.7-8.2179.9-60.3-173.9-17.800113.6D58D58-Q60 PolarHBondContact O-N 3.12Å; D58-Q60 VanDerWaalsContact O-N 3.11Å; D58-Q60 PolarHBondContact OD1-N 2.95Å
61K89Confident88.9Confident106 Ų10681.8 Ų81.846%0.46142%0.422SS..THydrogen-bonded Turntrans-110.9-110.9-179.3-61-177.7-179-176.80111D58 D87D58-K61 HydrophobicContact CB-CB 4.09Å; D58-K61 HydrophobicContact CB-CD 4.16Å; D58-K61 HydrophobicContact CB-CG 4.12Å; D58-K61 PolarHBondContact O-N 2.92Å; D58-K61 WeakPolarHBondContact OD2-CD 3.47Å; D58-K61 WeakPolarHBondContact OD2-CE 3.38Å; D58-K61 WeakPolarHBondContact OD2-CG 3.49Å; K61-D87 IonicContact NZ-OD2 2.89Å; K61-D87 PolarHBondContact NZ-OD2 3.4Å
62D90.9Very high88.7Confident85 Ų8581 Ų8146%0.45542%0.415SS..THydrogen-bonded Turntrans-99.85.3-169.4-65.8-42.1000113.3S55 I56 R64S55-D62 WeakPolarHBondContact CB-OD2 3.5Å; S55-D62 PolarHBondContact O-N 3.23Å; S55-D62 VanDerWaalsContact O-N 3.13Å; S55-D62 PolarHBondContact OG-OD2 3.19Å; I56-D62 HydrophobicContact CG2-CB 4.14Å; D62-R64 PolarHBondContact O-N 3.47Å
63W91.3Very high88.5Confident113 Ų11384.1 Ų84.143%0.42843%0.431SS..  trans-61.9136.1176.9-179.885.8000111.7I56 D58 V59 T65I56-W63 VanDerWaalsContact O-CD1 3.29Å; D58-W63 WeakPolarHBondContact O-CB 3.34Å; D58-W63 PolarHBondContact O-N 3.04Å; V59-W63 HydrophobicContact CG1-CE3 4.23Å; V59-W63 HydrophobicContact CG2-CD2 4.31Å; V59-W63 HydrophobicContact CG2-CE3 4.43Å; V59-W63 HydrophobicContact CG2-CG 4.48Å; W63-T65 HydrophobicContact CH2-CG2 3.66Å; W63-T65 HydrophobicContact CZ2-CG2 4.37Å; W63-T65 HydrophobicContact CZ3-CG2 4.13Å
64R89.8Confident88.3Confident165 Ų16586.8 Ų86.862%0.62344%0.443SS*.  trans-138.6146.1177.6-59.5178.4-175.4-117-1.9110.1D62 S66 L67D62-R64 PolarHBondContact O-N 3.47Å; R64-S66 PolarHBondContact O-N 3.44Å; R64-S66 VanDerWaalsContact O-N 3.12Å; R64-L67 HydrophobicContact CB-CG 4.27Å; R64-L67 WeakPolarHBondContact O-CB 3.31Å; R64-L67 WeakPolarHBondContact O-CG 3.44Å; R64-L67 PolarHBondContact O-N 2.88Å
65T89.4Confident88.3Confident131 Ų13186.2 Ų86.280%0.80445%0.445SS*.THydrogen-bonded Turntrans-62.9-16.5174.752.60000113.6W63W63-T65 HydrophobicContact CH2-CG2 3.66Å; W63-T65 HydrophobicContact CZ2-CG2 4.37Å; W63-T65 HydrophobicContact CZ3-CG2 4.13Å
66S92.2Very high88.1Confident88 Ų8884.8 Ų84.862%0.61543%0.434SS*.THydrogen-bonded Turntrans-81.6-11.6175.460.90000114.1R64 T68R64-S66 PolarHBondContact O-N 3.44Å; R64-S66 VanDerWaalsContact O-N 3.12Å; S66-T68 PolarHBondContact O-N 2.83Å
67L88.1Confident87.9Confident47 Ų4788 Ų8825%0.24645%0.448CS..  trans-67.5128.2178.9-69.9170000110.3I56 R64 D71I56-L67 HydrophobicContact CB-CD1 3.82Å; I56-L67 WeakPolarHBondContact O-CD1 3.45Å; R64-L67 HydrophobicContact CB-CG 4.27Å; R64-L67 WeakPolarHBondContact O-CB 3.31Å; R64-L67 WeakPolarHBondContact O-CG 3.44Å; R64-L67 PolarHBondContact O-N 2.88Å; L67-D71 HydrophobicContact CD2-CB 4.08Å
68T86.7Confident87.9Confident69 Ų6989 Ų8942%0.42346%0.459SS..  trans-90.6162.7172.970.30000110.7S66 K70 D71 I72S66-T68 PolarHBondContact O-N 2.83Å; T68-K70 PolarHBondContact O-N 3.21Å; T68-K70 PolarHBondContact OG1-N 3.49Å; T68-D71 WeakPolarHBondContact CB-OD2 3.4Å; T68-D71 PolarHBondContact N-OD2 3.36Å; T68-D71 PolarHBondContact O-N 3.42Å; T68-D71 PolarHBondContact OG1-N 3.07Å; T68-D71 PolarHBondContact OG1-OD2 3.12Å; T68-I72 PolarHBondContact O-N 3.17Å; T68-I72 VanDerWaalsContact O-N 3.13Å
69I84.1Confident88Confident113 Ų11386.8 Ų86.858%0.57945%0.448SS*.Hα-helixtrans-55.8-35.9171.5-62.6172.4000110.5I72 L73I69-I72 PolarHBondContact O-N 3.34Å; I69-L73 HydrophobicContact CG2-CD1 3.98Å; I69-L73 HydrophobicContact CG2-CG 4.27Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 3.11Å
70K83.9Confident88Confident146 Ų14684.1 Ų84.164%0.63543%0.429SS*.Hα-helixtrans-61.4-45.2176-179.6-176.9174.9-176.20111.7T68 I72 L73 L74T68-K70 PolarHBondContact O-N 3.21Å; T68-K70 PolarHBondContact OG1-N 3.49Å; K70-I72 VanDerWaalsContact C-N 3.29Å; K70-I72 PolarHBondContact O-N 2.9Å; K70-L73 PolarHBondContact O-N 2.91Å; K70-L74 HydrophobicContact CG-CD1 4Å; K70-L74 HydrophobicContact CG-CG 4.39Å; K70-L74 WeakPolarHBondContact O-CB 3.45Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 3.48Å
71D88.1Confident87.7Confident65 Ų6581 Ų8135%0.34842%0.415SS..Hα-helixtrans-63.5-39.2179.3-55-46.3000111L67 T68 G75L67-D71 HydrophobicContact CD2-CB 4.08Å; T68-D71 WeakPolarHBondContact CB-OD2 3.4Å; T68-D71 PolarHBondContact N-OD2 3.36Å; T68-D71 PolarHBondContact O-N 3.42Å; T68-D71 PolarHBondContact OG1-N 3.07Å; T68-D71 PolarHBondContact OG1-OD2 3.12Å; D71-G75 PolarHBondContact O-N 2.89Å
72I87.1Confident87.5Confident39 Ų3979.7 Ų79.720%0.242%0.419CS..Hα-helixtrans-61.8-50.2174.7-67.9170000110.9L57 T68 I69 K70 L74 G75 I76L57-I72 HydrophobicContact CD2-CD1 4.32Å; L57-I72 HydrophobicContact CD2-CG1 4.28Å; L57-I72 HydrophobicContact CD2-CG2 3.68Å; T68-I72 PolarHBondContact O-N 3.17Å; T68-I72 VanDerWaalsContact O-N 3.13Å; I69-I72 PolarHBondContact O-N 3.34Å; K70-I72 VanDerWaalsContact C-N 3.29Å; K70-I72 PolarHBondContact O-N 2.9Å; I72-L74 PolarHBondContact O-N 2.98Å; I72-G75 PolarHBondContact O-N 3.2Å; I72-I76 HydrophobicContact CG2-CD1 3.85Å; I72-I76 WeakPolarHBondContact O-CG1 3.21Å; I72-I76 PolarHBondContact O-N 3.38Å
73L85.9Confident87.4Confident74 Ų7476.4 Ų76.439%0.38740%0.402SS..Hα-helixtrans-63.9-40.1-179.1-68.7174.9000112L31 I69 K70 I76 Q77L31-L73 HydrophobicContact CD2-CD2 3.83Å; I69-L73 HydrophobicContact CG2-CD1 3.98Å; I69-L73 HydrophobicContact CG2-CG 4.27Å; I69-L73 VanDerWaalsContact O-CG 3.31Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 3.11Å; K70-L73 PolarHBondContact O-N 2.91Å; L73-I76 PolarHBondContact O-N 3.12Å; L73-Q77 WeakPolarHBondContact O-CB 3.47Å; L73-Q77 PolarHBondContact O-N 2.69Å
74L86.4Confident87.3Confident85 Ų8574.3 Ų74.345%0.44540%0.399SS..Hα-helixtrans-64.7-40.8174-73.2174.2000111.8K70 I72 Q77 S78K70-L74 HydrophobicContact CG-CD1 4Å; K70-L74 HydrophobicContact CG-CG 4.39Å; K70-L74 WeakPolarHBondContact O-CB 3.45Å; K70-L74 WeakPolarHBondContact O-CG 3.49Å; K70-L74 PolarHBondContact O-N 3.48Å; I72-L74 PolarHBondContact O-N 2.98Å; L74-Q77 PolarHBondContact O-N 3.47Å; L74-S78 WeakPolarHBondContact O-CB 3.14Å; L74-S78 PolarHBondContact O-N 3.47Å
75G90.2Very high87.2Confident19 Ų1969 Ų6920%0.19638%0.382CS..Hα-helixtrans-62-42.5175.400000112.3D71 I72 S78 L79D71-G75 PolarHBondContact O-N 2.89Å; I72-G75 PolarHBondContact O-N 3.2Å; G75-S78 PolarHBondContact O-N 2.8Å; G75-L79 WeakPolarHBondContact O-CB 3.4Å; G75-L79 PolarHBondContact O-N 3Å
76I88.7Confident87.1Confident6 Ų671 Ų713%0.03138%0.384CS..Hα-helixtrans-66.6-43.4175.8-66.4170.4000110.9L31 F37 V52 L54 L57 I72 L73 S78 L79 I80L31-I76 HydrophobicContact CD1-CD1 4.14Å; L31-I76 HydrophobicContact CD2-CD1 3.43Å; L31-I76 VanDerWaalsContact CD2-CD1 3.43Å; L31-I76 HydrophobicContact CD2-CG2 4.32Å; L31-I76 HydrophobicContact CG-CD1 4.4Å; F37-I76 HydrophobicContact CZ-CG2 4.09Å; V52-I76 HydrophobicContact CG1-CG1 4.34Å; L54-I76 HydrophobicContact CD2-CG1 3.96Å; L57-I76 HydrophobicContact CD1-CD1 4.41Å; I72-I76 HydrophobicContact CG2-CD1 3.85Å; I72-I76 WeakPolarHBondContact O-CG1 3.21Å; I72-I76 PolarHBondContact O-N 3.38Å; L73-I76 PolarHBondContact O-N 3.12Å; I76-S78 PolarHBondContact O-N 3.43Å; I76-L79 WeakPolarHBondContact O-CB 3.47Å; I76-L79 PolarHBondContact O-N 3Å; I76-I80 HydrophobicContact CG2-CD1 4.12Å; I76-I80 VanDerWaalsContact O-CG1 3.31Å; I76-I80 WeakPolarHBondContact O-CG1 3.09Å; I76-I80 PolarHBondContact O-N 2.98Å
77Q85.2Confident86.9Confident99 Ų9970 Ų7046%0.46337%0.372SS..Hα-helixtrans-58.5-48.6175.6-178.4179.36.100111.3L73 L74 L79 I80 E81L73-Q77 WeakPolarHBondContact O-CB 3.47Å; L73-Q77 PolarHBondContact O-N 2.69Å; L74-Q77 PolarHBondContact O-N 3.47Å; Q77-L79 VanDerWaalsContact C-N 3.26Å; Q77-L79 PolarHBondContact O-N 3.19Å; Q77-I80 PolarHBondContact O-N 3.38Å; Q77-E81 PolarHBondContact NE2-OE1 2.87Å; Q77-E81 PolarHBondContact O-N 3.13Å; Q77-E81 VanDerWaalsContact O-N 3.12Å
78S88.6Confident87Confident70 Ų7070.3 Ų70.349%0.4938%0.377SS..Hα-helixtrans-60.4-36.6177.4-176.30000112.2L74 G75 I76 E81 S82L74-S78 WeakPolarHBondContact O-CB 3.14Å; L74-S78 PolarHBondContact O-N 3.47Å; G75-S78 PolarHBondContact O-N 2.8Å; I76-S78 PolarHBondContact O-N 3.43Å; S78-E81 PolarHBondContact O-N 3.42Å; S78-S82 PolarHBondContact O-N 3.07Å
79L88.2Confident87.1Confident14 Ų1468.2 Ų68.27%0.07337%0.366CS..Hα-helixtrans-67.1-36.4177.6-173.670.4000112.3H43 N45 V52 C53 L54 G75 I76 Q77 S82 P83 N84H43-L79 PolarHBondContact CE1-O 3.45Å; H43-L79 PolarHBondContact NE2-O 2.82Å; H43-L79 VanDerWaalsContact NE2-O 3.16Å; N45-L79 HydrophobicContact CB-CD1 4.01Å; N45-L79 HydrophobicContact CB-CD2 3.84Å; N45-L79 HydrophobicContact CB-CG 4.11Å; V52-L79 HydrophobicContact CG1-CD2 3.58Å; C53-L79 WeakPolarHBondContact O-CD2 3.2Å; L54-L79 HydrophobicContact CB-CD2 4.2Å; L54-L79 HydrophobicContact CD1-CB 4.37Å; L54-L79 HydrophobicContact CD1-CD1 4.24Å; L54-L79 HydrophobicContact CD1-CD2 4.14Å; L54-L79 HydrophobicContact CD1-CG 4.49Å; G75-L79 WeakPolarHBondContact O-CB 3.4Å; G75-L79 PolarHBondContact O-N 3Å; I76-L79 WeakPolarHBondContact O-CB 3.47Å; I76-L79 PolarHBondContact O-N 3Å; Q77-L79 VanDerWaalsContact C-N 3.26Å; Q77-L79 PolarHBondContact O-N 3.19Å; L79-S82 CarbonylContact O-C 3.29Å; L79-S82 VanDerWaalsContact O-C 3.29Å; L79-P83 WeakPolarHBondContact O-CA 3.41Å; L79-N84 HydrophobicContact CD1-CB 4.07Å
80I85Confident87.4Confident51 Ų5164.5 Ų64.526%0.26235%0.347SS..Hα-helixtrans-69.2-39176.7-63.5164.3000110.9F37 I76 Q77F37-I80 HydrophobicContact CZ-CD1 3.79Å; F37-I80 HydrophobicContact CZ-CG1 4.4Å; I76-I80 HydrophobicContact CG2-CD1 4.12Å; I76-I80 VanDerWaalsContact O-CG1 3.31Å; I76-I80 WeakPolarHBondContact O-CG1 3.09Å; I76-I80 PolarHBondContact O-N 2.98Å; Q77-I80 PolarHBondContact O-N 3.38Å
81E82.2Confident87.7Confident117 Ų11764.6 Ų64.655%0.54735%0.347SS..Hα-helixtrans-75-31.8178.9-69.9172.9-170.200112.4Q77 S78 Y101Q77-E81 PolarHBondContact NE2-OE1 2.87Å; Q77-E81 PolarHBondContact O-N 3.13Å; Q77-E81 VanDerWaalsContact O-N 3.12Å; S78-E81 PolarHBondContact O-N 3.42Å; E81-Y101 PolarHBondContact O-OH 2.77Å
82S86.1Confident87.7Confident78 Ų7867.7 Ų67.755%0.54536%0.359SS..SBendtrans-139.589.7-177.4-670000110S78 L79S78-S82 PolarHBondContact O-N 3.07Å; L79-S82 CarbonylContact O-C 3.29Å; L79-S82 VanDerWaalsContact O-C 3.29Å
83P88.6Confident87.7Confident16 Ų1665.8 Ų65.810%0.10435%0.35CS..  trans-59.3141.9-179.3-19.427.8000111.9P44 N45 L79 M85 Y101P44-P83 HydrophobicContact CB-CB 4.35Å; P44-P83 HydrophobicContact CG-CB 3.99Å; P44-P83 HydrophobicContact CG-CG 4.42Å; N45-P83 WeakPolarHBondContact OD1-CA 3.44Å; L79-P83 WeakPolarHBondContact O-CA 3.41Å; P83-M85 HydrophobicContact CB-CE 3.9Å; P83-M85 HydrophobicContact CB-SD 4.24Å; P83-M85 HydrophobicContact CG-CE 4.09Å; P83-M85 PolarHBondContact O-N 3.39Å; P83-M85 VanDerWaalsContact O-N 3.13Å; P83-Y101 WeakPolarHBondContact CD-OH 3.47Å; P83-Y101 HydrophobicContact CG-CE2 4.07Å
84N89.7Confident87.8Confident68 Ų6865.6 Ų65.636%0.36435%0.346SS..  trans-79.695171.3179.710.9000110.2N45 L79 M86 D87N45-N84 PolarHBondContact ND2-O 2.97Å; N45-N84 PolarHBondContact OD1-N 2.95Å; L79-N84 HydrophobicContact CD1-CB 4.07Å; N84-M86 PolarHBondContact O-N 3.17Å; N84-M86 WeakPolarHBondContact OD1-CB 3.28Å; N84-M86 PolarHBondContact OD1-N 3.33Å; N84-D87 PolarHBondContact O-N 2.79Å
85M87.2Confident87.8Confident54 Ų5466.4 Ų66.427%0.26635%0.347SS..THydrogen-bonded Turntrans-70.3-10.3179.2-60.1-56-174.900114P83 F94 L97 Y101P83-M85 HydrophobicContact CB-CE 3.9Å; P83-M85 HydrophobicContact CB-SD 4.24Å; P83-M85 HydrophobicContact CG-CE 4.09Å; P83-M85 PolarHBondContact O-N 3.39Å; P83-M85 VanDerWaalsContact O-N 3.13Å; M85-F94 HydrophobicContact CB-CE2 4.05Å; M85-F94 WeakPolarHBondContact O-CE2 3.39Å; M85-F94 HydrophobicContact SD-CD2 3.79Å; M85-F94 HydrophobicContact SD-CE2 3.99Å; M85-L97 HydrophobicContact CE-CB 4.45Å; M85-Y101 HydrophobicContact CE-CD2 3.88Å; M85-Y101 HydrophobicContact CE-CE2 4.34Å; M85-Y101 HydrophobicContact CE-CG 4.11Å
86M87.4Confident87.5Confident173 Ų17368.7 Ų68.785%0.85236%0.357SS*.THydrogen-bonded Turntrans-85.8-18.7179.4-59.4-61.5-65.800113.2N84N84-M86 PolarHBondContact O-N 3.17Å; N84-M86 WeakPolarHBondContact OD1-CB 3.28Å; N84-M86 PolarHBondContact OD1-N 3.33Å
87D87.2Confident86.8Confident68 Ų6870.5 Ų70.536%0.36437%0.367SS..SBendtrans-139.266.1-179.1-164.714.2000110.4N45 K61 N84 A89N45-D87 PolarHBondContact ND2-O 2.83Å; K61-D87 IonicContact NZ-OD2 2.89Å; K61-D87 PolarHBondContact NZ-OD2 3.4Å; N84-D87 PolarHBondContact O-N 2.79Å; D87-A89 PolarHBondContact O-N 2.91Å
88P89.5Confident86Confident53 Ų5366.4 Ų66.434%0.34435%0.352SS..  trans-72.3127.718029.7-33.5000111.1P44 F94P44-P88 CarbonylContact O-C 3.55Å; P88-F94 HydrophobicContact CB-CB 3.91Å; P88-F94 HydrophobicContact CB-CD2 3.81Å; P88-F94 HydrophobicContact CB-CG 3.92Å; P88-F94 HydrophobicContact CG-CD2 4.04Å; P88-F94 HydrophobicContact CG-CE2 4.35Å; P88-F94 HydrophobicContact CG-CG 4.18Å
89A90.5Very high84.6Confident24 Ų2467.6 Ų67.620%0.19836%0.359CS..SBendtrans-77.4-27.5170.700000112.6P44 F47 C53 D87P44-A89 WeakPolarHBondContact O-CA 3.47Å; P44-A89 WeakPolarHBondContact O-CB 3.39Å; P44-A89 PolarHBondContact O-N 3.16Å; F47-A89 HydrophobicContact CD1-CB 4Å; F47-A89 HydrophobicContact CD2-CB 4.21Å; F47-A89 HydrophobicContact CE1-CB 3.85Å; F47-A89 HydrophobicContact CE2-CB 4.08Å; F47-A89 HydrophobicContact CG-CB 4.18Å; F47-A89 HydrophobicContact CZ-CB 3.89Å; C53-A89 HydrophobicContact CB-CB 4.09Å; D87-A89 PolarHBondContact O-N 2.91Å
90Q89.8Confident83.1Confident36 Ų3670.8 Ų70.817%0.16838%0.376CS..  trans-130.5133.2178.4-73.4-168.783.100112.4P44 V46 P48 P93 F94P44-Q90 PolarHBondContact O-N 3.44Å; V46-Q90 VanDerWaalsContact O-CD 3.3Å; V46-Q90 WeakPolarHBondContact O-CG 3.45Å; V46-Q90 PolarHBondContact O-NE2 3.21Å; P48-Q90 HydrophobicContact CG-CG 4.23Å; Q90-P93 HydrophobicContact CB-CG 3.81Å; Q90-F94 WeakPolarHBondContact O-CB 3.44Å; Q90-F94 PolarHBondContact O-N 2.95Å
91K89.2Confident81.7Confident148 Ų14872.6 Ų72.664%0.64338%0.38SS*.Hα-helixtrans-69.1-48.2-180-177.3179.1174.5-176.60113F94 E95K91-F94 WeakPolarHBondContact O-CB 3.17Å; K91-F94 PolarHBondContact O-N 2.89Å; K91-E95 VanDerWaalsContact CE-CD 3.44Å; K91-E95 WeakPolarHBondContact CE-OE1 3.32Å; K91-E95 HydrophobicContact CG-CG 4.33Å; K91-E95 IonicContact NZ-OE1 3.25Å; K91-E95 WeakPolarHBondContact O-CG 3.44Å; K91-E95 PolarHBondContact O-N 3.27Å
92E88.7Confident80.3Confident129 Ų12974.7 Ų74.760%0.60339%0.388SS*.Hα-helixtrans-66.4-47.2-172.7177.4-178.6-165.700113.6F42 F94 E95 T96F42-E92 HydrophobicContact CE2-CG 4.02Å; F42-E92 HydrophobicContact CZ-CG 4.1Å; E92-F94 VanDerWaalsContact C-N 3.29Å; E92-F94 PolarHBondContact O-N 2.92Å; E92-E95 PolarHBondContact O-N 3.43Å; E92-T96 WeakPolarHBondContact O-CB 2.77Å; E92-T96 PolarHBondContact O-N 2.62Å; E92-T96 PolarHBondContact O-OG1 3.05Å
93P87Confident78.5Confident0 Ų074 Ų740%039%0.387CS..Hα-helixtrans-63.4-35.1172.2-19.732.1000112.7F42 P44 Q90 L97F42-P93 HydrophobicContact CD1-CB 4.03Å; F42-P93 HydrophobicContact CD1-CG 4.25Å; F42-P93 HydrophobicContact CD2-CG 3.87Å; F42-P93 HydrophobicContact CE1-CB 3.81Å; F42-P93 HydrophobicContact CE1-CG 4.14Å; F42-P93 HydrophobicContact CE2-CB 4.32Å; F42-P93 HydrophobicContact CE2-CG 3.75Å; F42-P93 HydrophobicContact CG-CB 4.38Å; F42-P93 HydrophobicContact CG-CG 4.13Å; F42-P93 HydrophobicContact CZ-CB 3.97Å; F42-P93 HydrophobicContact CZ-CG 3.89Å; P44-P93 HydrophobicContact CG-CB 4.23Å; Q90-P93 HydrophobicContact CB-CG 3.81Å; P93-L97 VanDerWaalsContact O-CB 3.28Å; P93-L97 WeakPolarHBondContact O-CB 3.43Å; P93-L97 WeakPolarHBondContact O-CG 3.42Å; P93-L97 PolarHBondContact O-N 3.38Å
94F88.5Confident76.4Confident69 Ų6981.7 Ų81.730%0.30342%0.419SS..Hα-helixtrans-63.5-45.4176.3170.7-98.5000111.9P44 M85 P88 Q90 K91 E92 G98P44-F94 HydrophobicContact CB-CB 4.22Å; M85-F94 HydrophobicContact CB-CE2 4.05Å; M85-F94 WeakPolarHBondContact O-CE2 3.39Å; M85-F94 HydrophobicContact SD-CD2 3.79Å; M85-F94 HydrophobicContact SD-CE2 3.99Å; P88-F94 HydrophobicContact CB-CB 3.91Å; P88-F94 HydrophobicContact CB-CD2 3.81Å; P88-F94 HydrophobicContact CB-CG 3.92Å; P88-F94 HydrophobicContact CG-CD2 4.04Å; P88-F94 HydrophobicContact CG-CE2 4.35Å; P88-F94 HydrophobicContact CG-CG 4.18Å; Q90-F94 WeakPolarHBondContact O-CB 3.44Å; Q90-F94 PolarHBondContact O-N 2.95Å; K91-F94 WeakPolarHBondContact O-CB 3.17Å; K91-F94 PolarHBondContact O-N 2.89Å; E92-F94 VanDerWaalsContact C-N 3.29Å; E92-F94 PolarHBondContact O-N 2.92Å; F94-G98 VanDerWaalsContact O-CA 3.27Å; F94-G98 WeakPolarHBondContact O-CA 3.27Å; F94-G98 PolarHBondContact O-N 3.35Å
95E87.3Confident74.5Confident102 Ų10282.8 Ų82.848%0.47743%0.432SS..Hα-helixtrans-67.3-41.2177.4-71.6176.5161.100111.4K91 E92 C99K91-E95 VanDerWaalsContact CE-CD 3.44Å; K91-E95 WeakPolarHBondContact CE-OE1 3.32Å; K91-E95 HydrophobicContact CG-CG 4.33Å; K91-E95 IonicContact NZ-OE1 3.25Å; K91-E95 WeakPolarHBondContact O-CG 3.44Å; K91-E95 PolarHBondContact O-N 3.27Å; E92-E95 PolarHBondContact O-N 3.43Å; E95-C99 PolarHBondContact O-N 2.79Å; E95-C99 PolarHBondContact O-SG 3.13Å; E95-C99 VanDerWaalsContact O-SG 3.38Å
96T83.8Confident72.2Confident67 Ų6790.3 Ų90.341%0.41147%0.472SS..Hα-helixtrans-66.4-52.3-179.9-540000111.5F42 E92F42-T96 HydrophobicContact CE1-CG2 4.33Å; E92-T96 WeakPolarHBondContact O-CB 2.77Å; E92-T96 PolarHBondContact O-N 2.62Å; E92-T96 PolarHBondContact O-OG1 3.05Å
97L73.2Confident71.4Confident44 Ų4486.2 Ų86.223%0.2345%0.453CS..Hα-helixtrans-77.5-30-178.8-68.6176.7000112.7P44 M85 P93 C99 D100 Y101P44-L97 HydrophobicContact CG-CD1 3.79Å; M85-L97 HydrophobicContact CE-CB 4.45Å; P93-L97 VanDerWaalsContact O-CB 3.28Å; P93-L97 WeakPolarHBondContact O-CB 3.43Å; P93-L97 WeakPolarHBondContact O-CG 3.42Å; P93-L97 PolarHBondContact O-N 3.38Å; L97-C99 VanDerWaalsContact C-N 3.3Å; L97-C99 PolarHBondContact O-N 3.2Å; L97-D100 PolarHBondContact O-N 2.76Å; L97-Y101 HydrophobicContact CB-CD2 4.16Å; L97-Y101 WeakPolarHBondContact O-CB 3.46Å; L97-Y101 WeakPolarHBondContact O-CD2 3.49Å; L97-Y101 PolarHBondContact O-N 3.25Å
98G68.5Low70.6Confident14 Ų1487.2 Ų87.214%0.14446%0.458CS..Hα-helixtrans-60.6-42.2177.200000111.3F94 D100 F102F94-G98 VanDerWaalsContact O-CA 3.27Å; F94-G98 WeakPolarHBondContact O-CA 3.27Å; F94-G98 PolarHBondContact O-N 3.35Å; G98-D100 PolarHBondContact O-N 3.02Å; G98-F102 VanDerWaalsContact O-CD2 3.27Å; G98-F102 WeakPolarHBondContact O-CD2 3.47Å; G98-F102 PolarHBondContact O-N 3.48Å
99C59.4Low69.6Low94 Ų9489.1 Ų89.164%0.63546%0.464SS*.Hα-helixtrans-62.8-39.6174.4-71.40000112.8E95 L97 A103E95-C99 PolarHBondContact O-N 2.79Å; E95-C99 PolarHBondContact O-SG 3.13Å; E95-C99 VanDerWaalsContact O-SG 3.38Å; L97-C99 VanDerWaalsContact C-N 3.3Å; L97-C99 PolarHBondContact O-N 3.2Å; C99-A103 WeakPolarHBondContact O-CB 3.31Å; C99-A103 PolarHBondContact O-N 3.45Å
100D57.1Low68.3Low81 Ų8192.9 Ų92.943%0.43348%0.48SS..Hα-helixtrans-79.7-38.6-178.7-70.6-20000113.2L97 G98 F102 A103 F104L97-D100 PolarHBondContact O-N 2.76Å; G98-D100 PolarHBondContact O-N 3.02Å; D100-F102 VanDerWaalsContact C-N 3.34Å; D100-F102 PolarHBondContact O-N 3.4Å; D100-A103 WeakPolarHBondContact O-CA 3.29Å; D100-A103 WeakPolarHBondContact O-CB 3.47Å; D100-A103 PolarHBondContact O-N 2.96Å; D100-F104 HydrophobicContact CB-CD2 4.5Å; D100-F104 VanDerWaalsContact O-CD2 3.29Å; D100-F104 WeakPolarHBondContact O-CD2 3.43Å; D100-F104 PolarHBondContact O-N 3.38Å
101Y55.1Low67Low89 Ų8996.4 Ų96.435%0.34950%0.499SS..Hα-helixtrans-62.5-39.8179.4-102.3-91.5000112.1E81 P83 M85 L97 A103 S105E81-Y101 PolarHBondContact O-OH 2.77Å; P83-Y101 WeakPolarHBondContact CD-OH 3.47Å; P83-Y101 HydrophobicContact CG-CE2 4.07Å; M85-Y101 HydrophobicContact CE-CD2 3.88Å; M85-Y101 HydrophobicContact CE-CE2 4.34Å; M85-Y101 HydrophobicContact CE-CG 4.11Å; L97-Y101 HydrophobicContact CB-CD2 4.16Å; L97-Y101 WeakPolarHBondContact O-CB 3.46Å; L97-Y101 WeakPolarHBondContact O-CD2 3.49Å; L97-Y101 PolarHBondContact O-N 3.25Å; Y101-A103 VanDerWaalsContact C-N 3.33Å; Y101-S105 VanDerWaalsContact O-CB 3.31Å; Y101-S105 WeakPolarHBondContact O-CB 3.27Å; Y101-S105 PolarHBondContact O-N 3.41Å; Y101-S105 PolarHBondContact O-OG 3.27Å
102F53.6Low65.5Low162 Ų16293 Ų9371%0.71149%0.49SS*.Hα-helixtrans-72.1-26.8173-78.8-70.9000112.6G98 D100G98-F102 VanDerWaalsContact O-CD2 3.27Å; G98-F102 WeakPolarHBondContact O-CD2 3.47Å; G98-F102 PolarHBondContact O-N 3.48Å; D100-F102 VanDerWaalsContact C-N 3.34Å; D100-F102 PolarHBondContact O-N 3.4Å
103A48Very low63.8Low64 Ų6490.4 Ų90.453%0.52948%0.482SS..Hα-helixtrans-76.3-29.7177.100000113.6C99 D100 Y101C99-A103 WeakPolarHBondContact O-CB 3.31Å; C99-A103 PolarHBondContact O-N 3.45Å; D100-A103 WeakPolarHBondContact O-CA 3.29Å; D100-A103 WeakPolarHBondContact O-CB 3.47Å; D100-A103 PolarHBondContact O-N 2.96Å; Y101-A103 VanDerWaalsContact C-N 3.33Å
104F44.3Very low62.1Low177 Ų17797.4 Ų97.478%0.77652%0.519SS*.Hα-helixtrans-92.1-10.2177.1-76.8-74.5000114.5D100D100-F104 HydrophobicContact CB-CD2 4.5Å; D100-F104 VanDerWaalsContact O-CD2 3.29Å; D100-F104 WeakPolarHBondContact O-CD2 3.43Å; D100-F104 PolarHBondContact O-N 3.38Å
105S48.9Very low59.9Low91 Ų9199.8 Ų99.864%0.63654%0.537SS*.  trans-100.59.4-179.6-53.50000114.1Y101Y101-S105 VanDerWaalsContact O-CB 3.31Å; Y101-S105 WeakPolarHBondContact O-CB 3.27Å; Y101-S105 PolarHBondContact O-N 3.41Å; Y101-S105 PolarHBondContact O-OG 3.27Å
106L39.3Very low57.4Low212 Ų21299.5 Ų99.5100%1.1154%0.542SS*.  trans-115.90169.7-70.5175.5000110

Retrieved 106 of 106 residues in 59 ms (Link to these results)

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