A0A096NB93_PAPAN Loading...

Ubiquitin-conjugating enzyme E2 T

AlphaFold DB (A0A0D9RNT6), UniProt , Accession A0A096NB93, Species PAPAN (Papio anubis, Olive baboon), Gene UBE2T, Length 197 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
1M63.8Low91.6Very high220 Ų22088.5 Ų88.5100%1.08443%0.43SS*.  0-39.30-71.8-171.5-119.300114.1S5M1-S5 PolarHBondContact O-N 3.04Å
2Q86.7Confident92Very high164 Ų16491.2 Ų91.277%0.76644%0.44SS*.Hα-helixtrans-69.8-38.5-175-64.4176.511.500114.9R6Q2-R6 WeakPolarHBondContact O-CB 3.16Å; Q2-R6 PolarHBondContact O-N 3.13Å; Q2-R6 VanDerWaalsContact O-N 3.07Å
3R93.3Very high92.3Very high57 Ų5790.9 Ų90.922%0.21544%0.44CS..Hα-helixtrans-57.8-54.2176.9174.6174.6173.6-89.712.7112.9S5 R6 L7 D32 I57 P58 E59 Y61R3-S5 PolarHBondContact O-N 2.89Å; R3-R6 PolarHBondContact O-N 3.33Å; R3-L7 WeakPolarHBondContact O-CB 3.46Å; R3-L7 PolarHBondContact O-N 2.95Å; R3-D32 IonicContact CZ-OD2 3.43Å; R3-D32 IonicContact NH1-OD2 3.66Å; R3-D32 IonicContact NH2-OD2 2.7Å; R3-D32 PolarHBondContact NH2-OD2 3.37Å; R3-I57 PolarHBondContact NH2-O 2.83Å; R3-P58 PolarHBondContact NE-O 2.9Å; R3-P58 PolarHBondContact NH2-O 3.16Å; R3-E59 WeakPolarHBondContact CD-O 3.38Å; R3-Y61 WeakPolarHBondContact CB-O 3.37Å; R3-Y61 WeakPolarHBondContact CG-O 3.43Å
4A92.8Very high92.6Very high54 Ų5485 Ų8545%0.44641%0.411SS..Hα-helixtrans-62.7-42.7-177.100000112.4R6 L7 K8A4-R6 VanDerWaalsContact C-N 3.35Å; A4-R6 PolarHBondContact O-N 3.48Å; A4-L7 PolarHBondContact O-N 3.01Å; A4-K8 WeakPolarHBondContact O-CB 3.33Å; A4-K8 PolarHBondContact O-N 3.34Å
5S95.1Very high92.8Very high82 Ų8284.7 Ų84.757%0.57343%0.428SS*.Hα-helixtrans-60.6-44.6176178.10000111.8M1 R3 R9M1-S5 PolarHBondContact O-N 3.04Å; R3-S5 PolarHBondContact O-N 2.89Å; S5-R9 PolarHBondContact O-N 3.28Å; S5-R9 VanDerWaalsContact O-N 3.13Å
6R95.9Very high93Very high37 Ų3784.3 Ų84.314%0.1443%0.431CS..Hα-helixtrans-61.5-48.1175175.4175.5175.1147.7-9.9112.2Q2 R3 A4 K8 R9 E10 Y61 P100 L102Q2-R6 WeakPolarHBondContact O-CB 3.16Å; Q2-R6 PolarHBondContact O-N 3.13Å; Q2-R6 VanDerWaalsContact O-N 3.07Å; R3-R6 PolarHBondContact O-N 3.33Å; A4-R6 VanDerWaalsContact C-N 3.35Å; A4-R6 PolarHBondContact O-N 3.48Å; R6-K8 VanDerWaalsContact C-N 3.35Å; R6-K8 PolarHBondContact O-N 3.3Å; R6-R9 WeakPolarHBondContact O-CB 3.3Å; R6-R9 PolarHBondContact O-N 2.67Å; R6-R9 VanDerWaalsContact O-N 3.15Å; R6-E10 WeakPolarHBondContact CG-OE1 3.44Å; R6-E10 IonicContact CZ-OE1 3.89Å; R6-E10 IonicContact NE-OE1 2.93Å; R6-E10 PolarHBondContact NE-OE1 3.37Å; R6-E10 IonicContact NH2-OE1 3.85Å; R6-E10 PolarHBondContact NH2-OE1 2.83Å; R6-E10 PolarHBondContact O-N 2.93Å; R6-Y61 HydrophobicContact CG-CE1 4.17Å; R6-Y61 PolarHBondContact NH2-OH 3Å; R6-Y61 VanDerWaalsContact NH2-OH 3.17Å; R6-P100 VanDerWaalsContact CZ-O 3.26Å; R6-P100 PolarHBondContact NH1-O 3.1Å; R6-P100 PolarHBondContact NH2-O 3.33Å; R6-L102 PolarHBondContact NH2-O 3.06Å
7L95.4Very high93.2Very high2 Ų287.6 Ų87.61%0.0145%0.445CS..Hα-helixtrans-62.7-42.8-177.8-173.556.2000111.6R3 A4 R9 E10 L11 M31 L34 I57 I104R3-L7 WeakPolarHBondContact O-CB 3.46Å; R3-L7 PolarHBondContact O-N 2.95Å; A4-L7 PolarHBondContact O-N 3.01Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.11Å; L7-E10 PolarHBondContact O-N 2.85Å; L7-L11 HydrophobicContact CD1-CD1 4.42Å; L7-L11 HydrophobicContact CD1-CG 4.36Å; L7-L11 HydrophobicContact CG-CD1 4.16Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CG 3.43Å; L7-L11 PolarHBondContact O-N 3.3Å; L7-M31 HydrophobicContact CD2-CB 4.32Å; L7-M31 VanDerWaalsContact CD2-O 3.3Å; L7-M31 WeakPolarHBondContact CD2-O 3.38Å; L7-L34 HydrophobicContact CD1-CD1 4.36Å; L7-I57 HydrophobicContact CD1-CD1 4.36Å; L7-I57 HydrophobicContact CD1-CG1 3.95Å; L7-I57 HydrophobicContact CD1-CG2 4.45Å; L7-I57 HydrophobicContact CD2-CB 4.45Å; L7-I57 HydrophobicContact CD2-CG1 4.28Å; L7-I57 HydrophobicContact CD2-CG2 4.27Å; L7-I104 HydrophobicContact CD1-CD1 3.76Å
8K94.9Very high93.5Very high153 Ų15385.7 Ų85.767%0.66544%0.439SS*.Hα-helixtrans-58.5-41.4173.9-171.9176.4-178.3178.80112A4 R6 H12A4-K8 WeakPolarHBondContact O-CB 3.33Å; A4-K8 PolarHBondContact O-N 3.34Å; R6-K8 VanDerWaalsContact C-N 3.35Å; R6-K8 PolarHBondContact O-N 3.3Å; K8-H12 WeakPolarHBondContact O-CB 3.4Å; K8-H12 PolarHBondContact O-N 2.9Å
9R96.1Very high93.7Very high163 Ų16382.6 Ų82.662%0.61543%0.425SS*.Hα-helixtrans-66.1-45.2176.5-176.7176.664.1-154.40.9112S5 R6 L7 H12 M13S5-R9 PolarHBondContact O-N 3.28Å; S5-R9 VanDerWaalsContact O-N 3.13Å; R6-R9 WeakPolarHBondContact O-CB 3.3Å; R6-R9 PolarHBondContact O-N 2.67Å; R6-R9 VanDerWaalsContact O-N 3.15Å; L7-R9 VanDerWaalsContact C-N 3.29Å; L7-R9 PolarHBondContact O-N 3.11Å; R9-H12 PolarHBondContact O-N 2.99Å; R9-M13 WeakPolarHBondContact O-CG 3.24Å; R9-M13 PolarHBondContact O-N 3.36Å
10E97.3Very high93.9Very high16 Ų1684.3 Ų84.38%0.07544%0.442CS..Hα-helixtrans-64.2-42.9178.2-72.6-174.7-138.800112.2R6 L7 H12 M13 L14 Y61 N103 I104R6-E10 WeakPolarHBondContact CG-OE1 3.44Å; R6-E10 IonicContact CZ-OE1 3.89Å; R6-E10 IonicContact NE-OE1 2.93Å; R6-E10 PolarHBondContact NE-OE1 3.37Å; R6-E10 IonicContact NH2-OE1 3.85Å; R6-E10 PolarHBondContact NH2-OE1 2.83Å; R6-E10 PolarHBondContact O-N 2.93Å; L7-E10 PolarHBondContact O-N 2.85Å; E10-H12 VanDerWaalsContact C-N 3.34Å; E10-H12 PolarHBondContact O-N 2.89Å; E10-M13 PolarHBondContact O-N 2.89Å; E10-L14 WeakPolarHBondContact O-CB 3.4Å; E10-L14 WeakPolarHBondContact O-CG 3.39Å; E10-L14 PolarHBondContact O-N 3.42Å; E10-Y61 WeakPolarHBondContact OE1-CE1 3.31Å; E10-Y61 PolarHBondContact OE1-OH 3.25Å; E10-Y61 PolarHBondContact OE2-OH 3.33Å; E10-N103 HydrophobicContact CG-CB 4.25Å; E10-N103 WeakPolarHBondContact OE2-CB 3.46Å; E10-I104 HydrophobicContact CB-CD1 4.5Å; E10-I104 WeakPolarHBondContact OE2-CG1 3.41Å; E10-I104 PolarHBondContact OE2-N 3.27Å
11L95.8Very high94.1Very high26 Ų2681.7 Ų81.714%0.13644%0.436CS..Hα-helixtrans-63.7-39.3175.3-73.7173.7000112.2L7 L14 A15 L34L7-L11 HydrophobicContact CD1-CD1 4.42Å; L7-L11 HydrophobicContact CD1-CG 4.36Å; L7-L11 HydrophobicContact CG-CD1 4.16Å; L7-L11 WeakPolarHBondContact O-CB 3.41Å; L7-L11 WeakPolarHBondContact O-CG 3.43Å; L7-L11 PolarHBondContact O-N 3.3Å; L11-L14 PolarHBondContact O-N 2.84Å; L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 2.95Å; L11-L34 HydrophobicContact CD1-CD2 4.25Å; L11-L34 HydrophobicContact CD2-CD1 3.87Å; L11-L34 HydrophobicContact CD2-CD2 3.94Å
12H96.3Very high95.8Very high120 Ų12071.3 Ų71.356%0.55638%0.384SS*.Hα-helixtrans-60.7-48.2174.3-177.766.2000111.3K8 R9 E10 L14 A15 T16K8-H12 WeakPolarHBondContact O-CB 3.4Å; K8-H12 PolarHBondContact O-N 2.9Å; R9-H12 PolarHBondContact O-N 2.99Å; E10-H12 VanDerWaalsContact C-N 3.34Å; E10-H12 PolarHBondContact O-N 2.89Å; H12-L14 VanDerWaalsContact C-N 3.35Å; H12-L14 PolarHBondContact O-N 3.47Å; H12-A15 PolarHBondContact O-N 2.89Å; H12-A15 VanDerWaalsContact O-N 3.12Å; H12-T16 PolarHBondContact O-N 3.37Å; H12-T16 PolarHBondContact O-OG1 2.89Å; H12-T16 VanDerWaalsContact O-OG1 3.06Å
13M96.2Very high96.3Very high88 Ų8866.1 Ų66.143%0.43336%0.364SS..Hα-helixtrans-60.6-41.9176.4-68.9-61.6-56.100112.3R9 E10 A15 T16 E17R9-M13 WeakPolarHBondContact O-CG 3.24Å; R9-M13 PolarHBondContact O-N 3.36Å; E10-M13 PolarHBondContact O-N 2.89Å; M13-A15 VanDerWaalsContact C-N 3.26Å; M13-A15 PolarHBondContact O-N 3.25Å; M13-T16 PolarHBondContact O-N 3.32Å; M13-E17 HydrophobicContact CE-CB 4.46Å; M13-E17 CarbonylContact O-C 3.23Å; M13-E17 VanDerWaalsContact O-C 3.23Å; M13-E17 WeakPolarHBondContact O-CA 3.43Å; M13-E17 PolarHBondContact O-N 3.46Å
14L96.6Very high96.5Very high8 Ų863.8 Ų63.84%0.04236%0.356CS..Hα-helixtrans-65.7-28.2176.5-79160.6000112.9E10 L11 H12 P18 C24 I104 A105E10-L14 WeakPolarHBondContact O-CB 3.4Å; E10-L14 WeakPolarHBondContact O-CG 3.39Å; E10-L14 PolarHBondContact O-N 3.42Å; L11-L14 PolarHBondContact O-N 2.84Å; H12-L14 VanDerWaalsContact C-N 3.35Å; H12-L14 PolarHBondContact O-N 3.47Å; L14-P18 WeakPolarHBondContact O-CB 3.35Å; L14-C24 HydrophobicContact CD1-CB 3.98Å; L14-C24 HydrophobicContact CD2-CB 4.15Å; L14-I104 HydrophobicContact CD1-CB 4.14Å; L14-I104 HydrophobicContact CD1-CG2 3.92Å; L14-A105 HydrophobicContact CD2-CB 3.84Å; L14-A105 HydrophobicContact CG-CB 4.44Å
15A95.8Very high96.6Very high80 Ų8066.1 Ų66.166%0.66135%0.353SS*.Hα-helixtrans-80.6-36.117700000112.6L11 H12 M13L11-A15 WeakPolarHBondContact O-CB 3.47Å; L11-A15 PolarHBondContact O-N 2.95Å; H12-A15 PolarHBondContact O-N 2.89Å; H12-A15 VanDerWaalsContact O-N 3.12Å; M13-A15 VanDerWaalsContact C-N 3.26Å; M13-A15 PolarHBondContact O-N 3.25Å
16T96.8Very high96.5Very high79 Ų7965.7 Ų65.749%0.48534%0.342SS..Hα-helixtrans-93.4-37-175.857.10000113.4H12 M13H12-T16 PolarHBondContact O-N 3.37Å; H12-T16 PolarHBondContact O-OG1 2.89Å; H12-T16 VanDerWaalsContact O-OG1 3.06Å; M13-T16 PolarHBondContact O-N 3.32Å
17E96.4Very high95.7Very high140 Ų14068 Ų6865%0.65436%0.358SS*.SBendtrans-138.460.2-174.1-63.5179.1-170.800111.1M13M13-E17 HydrophobicContact CE-CB 4.46Å; M13-E17 CarbonylContact O-C 3.23Å; M13-E17 VanDerWaalsContact O-C 3.23Å; M13-E17 WeakPolarHBondContact O-CA 3.43Å; M13-E17 PolarHBondContact O-N 3.46Å
18P97.3Very high94.9Very high54 Ų5473.2 Ų73.235%0.35138%0.38SS..PPolyproline II helixtrans-64.4147.9177.824-31.2000112.1L14 I22L14-P18 WeakPolarHBondContact O-CB 3.35Å; P18-I22 VanDerWaalsContact CB-O 3.3Å; P18-I22 WeakPolarHBondContact CB-O 3.36Å
19P98Very high93.9Very high26 Ų2673.8 Ų73.817%0.16939%0.391CS..PPolyproline II helixtrans-59.3149.8169-20.131000111.9G21 I22 A105P19-G21 PolarHBondContact O-N 3.43Å; P19-I22 HydrophobicContact CB-CB 4.14Å; P19-I22 HydrophobicContact CB-CD1 4.08Å; P19-I22 HydrophobicContact CB-CG1 4.35Å; P19-I22 HydrophobicContact CG-CB 4.47Å; P19-I22 PolarHBondContact O-N 3.48Å; P19-A105 HydrophobicContact CG-CB 3.99Å
20P98Very high93.2Very high117 Ų11772 Ų7276%0.7639%0.39SS*.THydrogen-bonded Turntrans-55126.3-179.4-27.235.4000113.5I22 Q112P20-I22 PolarHBondContact O-N 3.27Å; P20-Q112 PolarHBondContact O-NE2 3.28Å
21G97.6Very high92.3Very high30 Ų3076 Ų7631%0.30941%0.409SS..THydrogen-bonded Turntrans71.810.5-179.900000114.7P19 I38 L39P19-G21 PolarHBondContact O-N 3.43Å; G21-I38 CarbonylContact O-C 3.57Å; G21-I38 WeakPolarHBondContact O-CA 3.34Å; G21-L39 PolarHBondContact O-N 2.79Å
22I98.6Very high91.9Very high2 Ų277.1 Ų77.11%0.0142%0.415CS..EExtended strand (participates in β ladder)trans-120.7136.4178.1-57.7-174.9000108.7P18 P19 P20 Q37 I38 L108 Q112P18-I22 VanDerWaalsContact CB-O 3.3Å; P18-I22 WeakPolarHBondContact CB-O 3.36Å; P19-I22 HydrophobicContact CB-CB 4.14Å; P19-I22 HydrophobicContact CB-CD1 4.08Å; P19-I22 HydrophobicContact CB-CG1 4.35Å; P19-I22 HydrophobicContact CG-CB 4.47Å; P19-I22 PolarHBondContact O-N 3.48Å; P20-I22 PolarHBondContact O-N 3.27Å; I22-Q37 WeakPolarHBondContact CA-O 3.29Å; I22-I38 HydrophobicContact CG1-CG1 4.35Å; I22-L108 HydrophobicContact CD1-CB 4.11Å; I22-L108 HydrophobicContact CG2-CB 3.79Å; I22-L108 HydrophobicContact CG2-CD1 3.82Å; I22-L108 HydrophobicContact CG2-CG 4.41Å; I22-Q112 HydrophobicContact CD1-CB 4.09Å
23T98.1Very high91.7Very high55 Ų5572.2 Ų72.234%0.33739%0.393SS..EExtended strand (participates in β ladder)trans-136.2148.5167.547.50000108.8A36 Q37T23-A36 CarbonylContact O-C 3.59Å; T23-A36 WeakPolarHBondContact O-CA 3.41Å; T23-A36 WeakPolarHBondContact O-CB 3.37Å; T23-Q37 PolarHBondContact N-O 2.98Å; T23-Q37 PolarHBondContact O-N 3.41Å
24C97.8Very high91.7Very high8 Ų868 Ų685%0.05437%0.373CS..EExtended strand (participates in β ladder)trans-149.8130.5177.3-178.60000108.9L14 R35 A36 L108L14-C24 HydrophobicContact CD1-CB 3.98Å; L14-C24 HydrophobicContact CD2-CB 4.15Å; C24-R35 CarbonylContact C-O 3.51Å; C24-R35 VanDerWaalsContact CA-O 3.24Å; C24-R35 WeakPolarHBondContact CA-O 3.41Å; C24-A36 HydrophobicContact CB-CB 3.99Å; C24-L108 HydrophobicContact CB-CD1 3.76Å
25W95.3Very high91.8Very high102 Ų10269.3 Ų69.339%0.38638%0.377SS..EExtended strand (participates in β ladder)trans-145162.7-173.265.494.8000111.4L34 R35 Q37W25-L34 WeakPolarHBondContact O-CA 3.35Å; W25-R35 HydrophobicContact CD2-CB 4.25Å; W25-R35 HydrophobicContact CH2-CB 4.39Å; W25-R35 HydrophobicContact CZ2-CB 3.78Å; W25-R35 PolarHBondContact N-O 3.15Å; W25-R35 PolarHBondContact O-N 3.03Å; W25-Q37 HydrophobicContact CH2-CB 4.02Å; W25-Q37 HydrophobicContact CZ3-CB 3.91Å
26Q93Very high91.9Very high73 Ų7365.5 Ų65.534%0.34135%0.346SS..EExtended strand (participates in β ladder)trans-82.4123.6172-177.5178.3-5.400109.1K28 D29 L34Q26-K28 WeakPolarHBondContact CG-O 3.46Å; Q26-K28 PolarHBondContact NE2-O 3.39Å; Q26-D29 PolarHBondContact NE2-O 3.07Å; Q26-L34 HydrophobicContact CB-CD2 3.94Å; Q26-L34 HydrophobicContact CG-CD2 4.33Å
27D79.3Confident92Very high87 Ų8763.7 Ų63.747%0.46533%0.332SS..  trans-99-29-175.2-171.950.5000112.7R35D27-R35 HydrophobicContact CB-CB 4.32Å; D27-R35 HydrophobicContact CB-CG 3.45Å; D27-R35 VanDerWaalsContact CB-CG 3.45Å; D27-R35 IonicContact OD2-CZ 3.36Å; D27-R35 IonicContact OD2-NE 2.72Å; D27-R35 PolarHBondContact OD2-NE 2.96Å; D27-R35 IonicContact OD2-NH2 2.69Å
28K77.2Confident92.1Very high110 Ų11057 Ų5748%0.47830%0.301SS..SBendtrans-126.4170.7-179.4-63-179.8-169.4151.50111.1Q26 Q30 D33Q26-K28 WeakPolarHBondContact CG-O 3.46Å; Q26-K28 PolarHBondContact NE2-O 3.39Å; K28-Q30 PolarHBondContact O-N 3.37Å; K28-D33 IonicContact NZ-OD2 2.83Å; K28-D33 PolarHBondContact NZ-OD2 3.12Å
29D75.3Confident92.2Very high166 Ų16658.2 Ų58.289%0.88830%0.304SS*.SBendtrans-57.6-23.9175.2-62.8-39.1000113.4Q26 M31Q26-D29 PolarHBondContact NE2-O 3.07Å; D29-M31 PolarHBondContact O-N 3.43Å
30Q80Confident92.2Very high126 Ų12657.5 Ų57.559%0.58930%0.301SS*.  trans-73.9115.1174-67.1-169.7-11.800110.9K28 D32 D33K28-Q30 PolarHBondContact O-N 3.37Å; Q30-D32 PolarHBondContact O-N 2.91Å; Q30-D32 VanDerWaalsContact O-N 3.11Å; Q30-D33 HydrophobicContact CB-CB 4.47Å; Q30-D33 PolarHBondContact O-N 2.98Å
31M78.8Confident92.1Very high98 Ų9853 Ų5348%0.48328%0.276SS..THydrogen-bonded Turntrans-63.2-16.3-178.7-77.2-166.3165.100114.1L7 D29 L34L7-M31 HydrophobicContact CD2-CB 4.32Å; L7-M31 VanDerWaalsContact CD2-O 3.3Å; L7-M31 WeakPolarHBondContact CD2-O 3.38Å; D29-M31 PolarHBondContact O-N 3.43Å; M31-L34 WeakPolarHBondContact O-CD2 3.49Å
32D86.7Confident92.1Very high51 Ų5155 Ų5527%0.27329%0.289SS..THydrogen-bonded Turntrans-105-1.6-175.646.65.5000115.6R3 Q30 I56 I57R3-D32 IonicContact CZ-OD2 3.43Å; R3-D32 IonicContact NH1-OD2 3.66Å; R3-D32 IonicContact NH2-OD2 2.7Å; R3-D32 PolarHBondContact NH2-OD2 3.37Å; Q30-D32 PolarHBondContact O-N 2.91Å; Q30-D32 VanDerWaalsContact O-N 3.11Å; D32-I56 CarbonylContact O-C 3.59Å; D32-I56 WeakPolarHBondContact O-CA 3.4Å; D32-I57 HydrophobicContact CB-CB 3.83Å; D32-I57 HydrophobicContact CB-CG1 4.49Å; D32-I57 WeakPolarHBondContact CB-O 3.33Å; D32-I57 PolarHBondContact O-N 3.5Å
33D93.5Very high91.9Very high17 Ų1762.5 Ų62.59%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-103.397.4167.1-176.110.1000109K28 Q30 R35K28-D33 IonicContact NZ-OD2 2.83Å; K28-D33 PolarHBondContact NZ-OD2 3.12Å; Q30-D33 HydrophobicContact CB-CB 4.47Å; Q30-D33 PolarHBondContact O-N 2.98Å; D33-R35 IonicContact OD1-CZ 3.83Å; D33-R35 IonicContact OD1-NH1 3.3Å; D33-R35 PolarHBondContact OD1-NH1 3.13Å; D33-R35 IonicContact OD1-NH2 3.33Å; D33-R35 PolarHBondContact OD1-NH2 2.8Å; D33-R35 IonicContact OD2-NH2 3.7Å; D33-R35 PolarHBondContact OD2-NH2 3.06Å
34L96.4Very high92Very high0 Ų061 Ų610%032%0.32CS..EExtended strand (participates in β ladder)trans-106.5158.4-177.1-52.4178.1000111.4L7 L11 W25 Q26 M31 V55 I57 I104L7-L34 HydrophobicContact CD1-CD1 4.36Å; L11-L34 HydrophobicContact CD1-CD2 4.25Å; L11-L34 HydrophobicContact CD2-CD1 3.87Å; L11-L34 HydrophobicContact CD2-CD2 3.94Å; W25-L34 WeakPolarHBondContact O-CA 3.35Å; Q26-L34 HydrophobicContact CB-CD2 3.94Å; Q26-L34 HydrophobicContact CG-CD2 4.33Å; M31-L34 WeakPolarHBondContact O-CD2 3.49Å; L34-V55 HydrophobicContact CB-CB 4.02Å; L34-V55 HydrophobicContact CB-CG1 4.43Å; L34-V55 WeakPolarHBondContact CB-O 3.49Å; L34-V55 HydrophobicContact CD1-CG1 4.36Å; L34-V55 PolarHBondContact N-O 3.31Å; L34-V55 PolarHBondContact O-N 2.92Å; L34-I57 HydrophobicContact CD1-CD1 4.07Å; L34-I57 HydrophobicContact CD1-CG1 3.97Å; L34-I57 HydrophobicContact CG-CG1 4.41Å; L34-I104 HydrophobicContact CD1-CD1 4.01Å
35R97.6Very high92Very high34 Ų3461.3 Ų61.313%0.12832%0.322CS..EExtended strand (participates in β ladder)trans-115.6141.5169.4-64.1-69.2170-94.7-7.3109.1C24 W25 D27 D33 E54C24-R35 CarbonylContact C-O 3.51Å; C24-R35 VanDerWaalsContact CA-O 3.24Å; C24-R35 WeakPolarHBondContact CA-O 3.41Å; W25-R35 HydrophobicContact CD2-CB 4.25Å; W25-R35 HydrophobicContact CH2-CB 4.39Å; W25-R35 HydrophobicContact CZ2-CB 3.78Å; W25-R35 PolarHBondContact N-O 3.15Å; W25-R35 PolarHBondContact O-N 3.03Å; D27-R35 HydrophobicContact CB-CB 4.32Å; D27-R35 HydrophobicContact CB-CG 3.45Å; D27-R35 VanDerWaalsContact CB-CG 3.45Å; D27-R35 IonicContact OD2-CZ 3.36Å; D27-R35 IonicContact OD2-NE 2.72Å; D27-R35 PolarHBondContact OD2-NE 2.96Å; D27-R35 IonicContact OD2-NH2 2.69Å; D33-R35 IonicContact OD1-CZ 3.83Å; D33-R35 IonicContact OD1-NH1 3.3Å; D33-R35 PolarHBondContact OD1-NH1 3.13Å; D33-R35 IonicContact OD1-NH2 3.33Å; D33-R35 PolarHBondContact OD1-NH2 2.8Å; D33-R35 IonicContact OD2-NH2 3.7Å; D33-R35 PolarHBondContact OD2-NH2 3.06Å; R35-E54 IonicContact NH1-OE1 3.4Å
36A98.4Very high92.2Very high1 Ų156.6 Ų56.61%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-127.6156.8171.200000110.9T23 C24 K52 L53 V55 L108T23-A36 CarbonylContact O-C 3.59Å; T23-A36 WeakPolarHBondContact O-CA 3.41Å; T23-A36 WeakPolarHBondContact O-CB 3.37Å; C24-A36 HydrophobicContact CB-CB 3.99Å; A36-K52 CarbonylContact O-C 3.52Å; A36-K52 WeakPolarHBondContact O-CA 3.41Å; A36-L53 HydrophobicContact CB-CB 4.32Å; A36-L53 PolarHBondContact N-O 3.04Å; A36-L53 PolarHBondContact O-N 2.85Å; A36-V55 HydrophobicContact CB-CG2 3.93Å; A36-L108 HydrophobicContact CB-CD1 3.89Å; A36-L108 HydrophobicContact CB-CD2 3.84Å
37Q98.4Very high92.4Very high41 Ų4156.9 Ų56.919%0.19231%0.306CS..EExtended strand (participates in β ladder)trans-133.7131.7173.6-178.1-179.1-68.200109.4I22 T23 W25 V50 F51I22-Q37 WeakPolarHBondContact CA-O 3.29Å; T23-Q37 PolarHBondContact N-O 2.98Å; T23-Q37 PolarHBondContact O-N 3.41Å; W25-Q37 HydrophobicContact CH2-CB 4.02Å; W25-Q37 HydrophobicContact CZ3-CB 3.91Å; Q37-V50 HydrophobicContact CG-CG1 3.37Å; Q37-V50 VanDerWaalsContact NE2-CG1 3.32Å; Q37-V50 VanDerWaalsContact OE1-CG1 3.29Å; Q37-F51 CarbonylContact C-O 3.56Å; Q37-F51 VanDerWaalsContact CA-O 3.29Å; Q37-F51 WeakPolarHBondContact CA-O 3.1Å
38I98.8Very high93.2Very high0 Ų059.7 Ų59.70%031%0.314CS..EExtended strand (participates in β ladder)trans-117.6126.1174.1-60.9175.6000108G21 I22 F51 L53 L108 I111 Q112 M115G21-I38 CarbonylContact O-C 3.57Å; G21-I38 WeakPolarHBondContact O-CA 3.34Å; I22-I38 HydrophobicContact CG1-CG1 4.35Å; I38-F51 PolarHBondContact N-O 2.95Å; I38-F51 PolarHBondContact O-N 2.9Å; I38-L53 HydrophobicContact CB-CD1 4.27Å; I38-L53 HydrophobicContact CD1-CD1 3.83Å; I38-L53 HydrophobicContact CD1-CD2 4.28Å; I38-L53 HydrophobicContact CG1-CD1 3.77Å; I38-L108 HydrophobicContact CD1-CD2 4.38Å; I38-I111 HydrophobicContact CD1-CB 4.12Å; I38-I111 HydrophobicContact CD1-CG2 3.77Å; I38-Q112 HydrophobicContact CG2-CB 3.91Å; I38-Q112 HydrophobicContact CG2-CG 3.85Å; I38-M115 HydrophobicContact CB-SD 4.46Å; I38-M115 HydrophobicContact CG2-CE 4.42Å; I38-M115 HydrophobicContact CG2-SD 3.83Å
39L98.5Very high94.2Very high79 Ų7954.5 Ų54.541%0.41429%0.291SS..EExtended strand (participates in β ladder)trans-76.6133.5169.2-58.1-175.2000109G21 G41 V50G21-L39 PolarHBondContact O-N 2.79Å; L39-G41 PolarHBondContact O-N 3.36Å; L39-V50 HydrophobicContact CD2-CG2 3.97Å
40G98.3Very high95.4Very high11 Ų1147.7 Ų47.711%0.11326%0.256CS..PPolyproline II helixtrans-64.2131.7174.200000111.4Y46 G49G40-Y46 WeakPolarHBondContact CA-O 3.47Å; G40-G49 PolarHBondContact N-O 2.81Å
41G97.3Very high96.2Very high22 Ų2241.7 Ų41.723%0.22723%0.228CC..PPolyproline II helixtrans-64.5149.9-174.600000113.3L39 T44 E47L39-G41 PolarHBondContact O-N 3.36Å; G41-T44 WeakPolarHBondContact O-CB 3.5Å; G41-T44 PolarHBondContact O-N 2.69Å; G41-T44 PolarHBondContact O-OG1 2.93Å; G41-E47 WeakPolarHBondContact O-CB 3.47Å
42A96.2Very high97.2Very high72 Ų7242.4 Ų42.460%0.59523%0.228SC*.THydrogen-bonded Turntrans-59.2145.3172.900000111.3T44A42-T44 PolarHBondContact O-N 3.15Å; A42-T44 VanDerWaalsContact O-N 3.17Å
43N96.1Very high97.8Very high160 Ų16040 Ų4086%0.85622%0.215SC*.THydrogen-bonded Turntrans62.315.9-179.2-49.4-59000114.5E47N43-E47 PolarHBondContact N-OE2 2.8Å
44T98.4Very high98Very high24 Ų2440.6 Ų40.615%0.14722%0.217CC..SBendtrans-106.6159.8171.477.90000109.6G41 A42 Y46 E47G41-T44 WeakPolarHBondContact O-CB 3.5Å; G41-T44 PolarHBondContact O-N 2.69Å; G41-T44 PolarHBondContact O-OG1 2.93Å; A42-T44 PolarHBondContact O-N 3.15Å; A42-T44 VanDerWaalsContact O-N 3.17Å; T44-Y46 PolarHBondContact O-N 2.83Å; T44-Y46 PolarHBondContact OG1-N 2.75Å; T44-E47 WeakPolarHBondContact O-CB 3.43Å; T44-E47 PolarHBondContact O-N 3.23Å; T44-E47 PolarHBondContact OG1-N 3.19Å
45P98.6Very high98.1Very high14 Ų1440.6 Ų40.69%0.09122%0.217CC..THydrogen-bonded Turntrans-66.9-5.9173.730.9-37.3000113.5F139 L140 A143 R144 T147P45-F139 HydrophobicContact CG-CE1 4.24Å; P45-L140 HydrophobicContact CB-CD2 4.12Å; P45-L140 HydrophobicContact CG-CD2 3.94Å; P45-A143 HydrophobicContact CB-CB 3.58Å; P45-A143 HydrophobicContact CG-CB 3.75Å; P45-R144 HydrophobicContact CB-CG 3.8Å; P45-R144 WeakPolarHBondContact O-CA 3.32Å; P45-R144 WeakPolarHBondContact O-CG 3.49Å; P45-T147 PolarHBondContact O-OG1 2.86Å
46Y98.8Very high98.1Very high2 Ų241.8 Ų41.81%0.00823%0.226CC..THydrogen-bonded Turntrans-95.5-5.5179.4-46.6-68.2000113.1G40 T44 G49 F51 I74 Y75 H76 M115 F139 A143G40-Y46 WeakPolarHBondContact CA-O 3.47Å; T44-Y46 PolarHBondContact O-N 2.83Å; T44-Y46 PolarHBondContact OG1-N 2.75Å; Y46-G49 WeakPolarHBondContact O-CA 3.25Å; Y46-G49 PolarHBondContact O-N 2.92Å; Y46-F51 AromaticContact CD1-CZ 3.98Å; Y46-F51 HydrophobicContact CD1-CZ 3.98Å; Y46-F51 HydrophobicContact CG-CZ 4.3Å; Y46-I74 HydrophobicContact CD1-CD1 3.86Å; Y46-I74 HydrophobicContact CD1-CG1 3.96Å; Y46-I74 HydrophobicContact CE1-CD1 3.78Å; Y46-I74 HydrophobicContact CE1-CG1 3.69Å; Y46-Y75 PolarHBondContact OH-O 2.89Å; Y46-H76 AromaticContact CZ-CD2 3.84Å; Y46-H76 PolarHBondContact OH-CD2 3.34Å; Y46-M115 HydrophobicContact CD2-CB 4.33Å; Y46-M115 WeakPolarHBondContact CE2-O 3.41Å; Y46-M115 HydrophobicContact CG-CE 4.31Å; Y46-F139 WeakPolarHBondContact OH-CZ 3.12Å; Y46-A143 HydrophobicContact CE1-CB 4.19Å
47E98.3Very high98Very high80 Ų8041.9 Ų41.937%0.37423%0.226SC..THydrogen-bonded Turntrans-49.8141.4-178.7-165.8-173.6134.500111.9G41 N43 T44 G49G41-E47 WeakPolarHBondContact O-CB 3.47Å; N43-E47 PolarHBondContact N-OE2 2.8Å; T44-E47 WeakPolarHBondContact O-CB 3.43Å; T44-E47 PolarHBondContact O-N 3.23Å; T44-E47 PolarHBondContact OG1-N 3.19Å; E47-G49 PolarHBondContact O-N 2.92Å; E47-G49 VanDerWaalsContact O-N 3.08Å
48K96.9Very high97.9Very high145 Ų14540.5 Ų40.563%0.6322%0.221SC*.THydrogen-bonded Turntrans66.9-4.6-174.8-46.4177-176.9172.90114.7
49G98.3Very high97.8Very high1 Ų148.8 Ų48.81%0.0126%0.259CS..  trans-75.5146.3170.300000112.2G40 Y46 E47G40-G49 PolarHBondContact N-O 2.81Å; Y46-G49 WeakPolarHBondContact O-CA 3.25Å; Y46-G49 PolarHBondContact O-N 2.92Å; E47-G49 PolarHBondContact O-N 2.92Å; E47-G49 VanDerWaalsContact O-N 3.08Å
50V98.5Very high97.7Very high23 Ų2351.8 Ų51.814%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-119.2109.2174.2-178.80000108.2Q37 L39 A151Q37-V50 HydrophobicContact CG-CG1 3.37Å; Q37-V50 VanDerWaalsContact NE2-CG1 3.32Å; Q37-V50 VanDerWaalsContact OE1-CG1 3.29Å; L39-V50 HydrophobicContact CD2-CG2 3.97Å; V50-A151 PolarHBondContact N-O 3.26Å
51F98.8Very high97.6Very high0 Ų051.5 Ų51.50%026%0.261CS..EExtended strand (participates in β ladder)trans-104117.2-173.7-60.6-90.5000110Q37 I38 Y46 L53 F70 T72 I74 M115 T147 A151Q37-F51 CarbonylContact C-O 3.56Å; Q37-F51 VanDerWaalsContact CA-O 3.29Å; Q37-F51 WeakPolarHBondContact CA-O 3.1Å; I38-F51 PolarHBondContact N-O 2.95Å; I38-F51 PolarHBondContact O-N 2.9Å; Y46-F51 AromaticContact CD1-CZ 3.98Å; Y46-F51 HydrophobicContact CD1-CZ 3.98Å; Y46-F51 HydrophobicContact CG-CZ 4.3Å; F51-L53 WeakPolarHBondContact O-CD1 3.41Å; F51-F70 HydrophobicContact CB-CD1 4.19Å; F51-F70 HydrophobicContact CB-CE1 3.89Å; F51-F70 HydrophobicContact CD1-CD1 4.46Å; F51-F70 HydrophobicContact CD1-CE1 4.33Å; F51-F70 HydrophobicContact CG-CE1 4.33Å; F51-T72 HydrophobicContact CD1-CG2 4.02Å; F51-I74 HydrophobicContact CD1-CB 4.13Å; F51-I74 HydrophobicContact CD1-CD1 3.96Å; F51-I74 HydrophobicContact CD1-CG1 4.22Å; F51-I74 HydrophobicContact CE1-CB 3.94Å; F51-I74 HydrophobicContact CE1-CD1 3.73Å; F51-I74 HydrophobicContact CE1-CG1 3.72Å; F51-I74 HydrophobicContact CZ-CD1 4.27Å; F51-I74 HydrophobicContact CZ-CG1 4.45Å; F51-M115 HydrophobicContact CD2-CE 3.48Å; F51-M115 VanDerWaalsContact CD2-CE 3.48Å; F51-M115 HydrophobicContact CE2-CE 3.68Å; F51-M115 HydrophobicContact CG-CE 3.98Å; F51-M115 HydrophobicContact CZ-CE 4.3Å; F51-T147 HydrophobicContact CZ-CG2 4.13Å; F51-A151 HydrophobicContact CD1-CB 4.05Å; F51-A151 HydrophobicContact CE1-CB 3.61Å; F51-A151 HydrophobicContact CE2-CB 4.18Å; F51-A151 HydrophobicContact CZ-CB 3.69Å
52K98.5Very high97.6Very high113 Ų11351.2 Ų51.249%0.49126%0.255SS..EExtended strand (participates in β ladder)trans-88.3140.4176.2-63-177.1-179.6-176.80109.8A36 L71 T72A36-K52 CarbonylContact O-C 3.52Å; A36-K52 WeakPolarHBondContact O-CA 3.41Å; K52-L71 HydrophobicContact CB-CB 4.21Å; K52-L71 PolarHBondContact O-N 2.81Å; K52-T72 PolarHBondContact N-OG1 2.7Å; K52-T72 PolarHBondContact O-N 2.86Å; K52-T72 VanDerWaalsContact O-N 3.15Å
53L98.7Very high97.7Very high0 Ų053.7 Ų53.70%025%0.252CS..EExtended strand (participates in β ladder)trans-129.9150.1177.3-55.592.8000110A36 I38 F51 I68 R69 F70 I85 I111A36-L53 HydrophobicContact CB-CB 4.32Å; A36-L53 PolarHBondContact N-O 3.04Å; A36-L53 PolarHBondContact O-N 2.85Å; I38-L53 HydrophobicContact CB-CD1 4.27Å; I38-L53 HydrophobicContact CD1-CD1 3.83Å; I38-L53 HydrophobicContact CD1-CD2 4.28Å; I38-L53 HydrophobicContact CG1-CD1 3.77Å; F51-L53 WeakPolarHBondContact O-CD1 3.41Å; L53-I68 HydrophobicContact CB-CG2 4.25Å; L53-I68 HydrophobicContact CD2-CG2 3.74Å; L53-R69 CarbonylContact C-O 3.57Å; L53-R69 VanDerWaalsContact CA-O 3.24Å; L53-R69 WeakPolarHBondContact CA-O 3.43Å; L53-R69 WeakPolarHBondContact CB-O 3.4Å; L53-F70 HydrophobicContact CD2-CD1 4.36Å; L53-F70 HydrophobicContact CD2-CD2 4.01Å; L53-F70 HydrophobicContact CD2-CE1 4.2Å; L53-F70 HydrophobicContact CD2-CE2 3.81Å; L53-F70 HydrophobicContact CD2-CG 4.28Å; L53-F70 HydrophobicContact CD2-CZ 3.92Å; L53-F70 HydrophobicContact CG-CD1 4.25Å; L53-F70 HydrophobicContact CG-CE1 4.35Å; L53-F70 HydrophobicContact CG-CG 4.38Å; L53-I85 HydrophobicContact CD2-CD1 4.31Å; L53-I111 HydrophobicContact CD2-CD1 4.41Å; L53-I111 HydrophobicContact CD2-CG2 4.23Å
54E98Very high97.8Very high30 Ų3048.7 Ų48.714%0.1422%0.224CC..EExtended strand (participates in β ladder)trans-96.5136.1165.1171.3175.7-92.500108.2R35 I56 I68 R69 L71R35-E54 IonicContact NH1-OE1 3.4Å; E54-I56 HydrophobicContact CG-CD1 4.16Å; E54-I56 HydrophobicContact CG-CG1 3.92Å; E54-I68 WeakPolarHBondContact O-CA 3.18Å; E54-R69 HydrophobicContact CB-CG 4.22Å; E54-R69 PolarHBondContact N-O 3.46Å; E54-R69 PolarHBondContact O-N 3.49Å; E54-R69 VanDerWaalsContact O-N 3.13Å; E54-R69 IonicContact OE1-NH2 2.67Å; E54-R69 PolarHBondContact OE1-NH2 2.89Å; E54-R69 IonicContact OE2-CZ 3.28Å; E54-R69 IonicContact OE2-NE 3.87Å; E54-R69 PolarHBondContact OE2-NE 3.39Å; E54-R69 IonicContact OE2-NH2 3.75Å; E54-R69 PolarHBondContact OE2-NH2 3.49Å; E54-L71 HydrophobicContact CB-CD1 4.13Å; E54-L71 HydrophobicContact CB-CD2 3.95Å; E54-L71 HydrophobicContact CB-CG 4.05Å
55V98.3Very high97.7Very high0 Ų048.3 Ų48.30%022%0.222CC..EExtended strand (participates in β ladder)trans-128.1106.5179.1176.80000107.8L34 A36 I57 P66 I68 I104 L108L34-V55 HydrophobicContact CB-CB 4.02Å; L34-V55 HydrophobicContact CB-CG1 4.43Å; L34-V55 WeakPolarHBondContact CB-O 3.49Å; L34-V55 HydrophobicContact CD1-CG1 4.36Å; L34-V55 PolarHBondContact N-O 3.31Å; L34-V55 PolarHBondContact O-N 2.92Å; A36-V55 HydrophobicContact CB-CG2 3.93Å; V55-I57 HydrophobicContact CG1-CD1 3.91Å; V55-P66 HydrophobicContact CG1-CB 4.24Å; V55-I68 HydrophobicContact CB-CG1 4.4Å; V55-I68 HydrophobicContact CG1-CD1 4.27Å; V55-I68 HydrophobicContact CG1-CG1 4.14Å; V55-I68 HydrophobicContact CG2-CD1 4.07Å; V55-I68 HydrophobicContact CG2-CG1 4.03Å; V55-I68 HydrophobicContact CG2-CG2 4.1Å; V55-I104 HydrophobicContact CG1-CG2 4.38Å; V55-L108 HydrophobicContact CG2-CD2 4.33Å
56I97.5Very high97.7Very high59 Ų5947.8 Ų47.830%0.30322%0.218SC..EExtended strand (participates in β ladder)trans-100.7125.8178.6-62.5166.4000109.2D32 E54 P58 Q67D32-I56 CarbonylContact O-C 3.59Å; D32-I56 WeakPolarHBondContact O-CA 3.4Å; E54-I56 HydrophobicContact CG-CD1 4.16Å; E54-I56 HydrophobicContact CG-CG1 3.92Å; I56-P58 WeakPolarHBondContact O-CD 3.33Å; I56-Q67 HydrophobicContact CB-CB 4.21Å; I56-Q67 PolarHBondContact N-O 2.81Å; I56-Q67 PolarHBondContact O-N 2.91Å
57I97.3Very high97.7Very high3 Ų353.2 Ų53.22%0.01524%0.244CC..  trans-93.7112-179.7-51.4-56.8000109.4R3 L7 D32 L34 V55 Y61 P66 I104R3-I57 PolarHBondContact NH2-O 2.83Å; L7-I57 HydrophobicContact CD1-CD1 4.36Å; L7-I57 HydrophobicContact CD1-CG1 3.95Å; L7-I57 HydrophobicContact CD1-CG2 4.45Å; L7-I57 HydrophobicContact CD2-CB 4.45Å; L7-I57 HydrophobicContact CD2-CG1 4.28Å; L7-I57 HydrophobicContact CD2-CG2 4.27Å; D32-I57 HydrophobicContact CB-CB 3.83Å; D32-I57 HydrophobicContact CB-CG1 4.49Å; D32-I57 WeakPolarHBondContact CB-O 3.33Å; D32-I57 PolarHBondContact O-N 3.5Å; L34-I57 HydrophobicContact CD1-CD1 4.07Å; L34-I57 HydrophobicContact CD1-CG1 3.97Å; L34-I57 HydrophobicContact CG-CG1 4.41Å; V55-I57 HydrophobicContact CG1-CD1 3.91Å; I57-Y61 HydrophobicContact CG2-CD1 3.84Å; I57-Y61 HydrophobicContact CG2-CD2 4.15Å; I57-Y61 HydrophobicContact CG2-CG 3.56Å; I57-P66 HydrophobicContact CD1-CB 4.02Å; I57-I104 HydrophobicContact CD1-CD1 3.65Å; I57-I104 HydrophobicContact CD1-CG1 4.04Å
58P96.8Very high97.7Very high12 Ų1250 Ų508%0.07823%0.229CC..  trans-67.1160.1-178.229.7-37000112R3 I56 R60 Y61 E64 P65R3-P58 PolarHBondContact NE-O 2.9Å; R3-P58 PolarHBondContact NH2-O 3.16Å; I56-P58 WeakPolarHBondContact O-CD 3.33Å; P58-R60 PolarHBondContact O-N 2.88Å; P58-Y61 VanDerWaalsContact O-CB 3.25Å; P58-Y61 WeakPolarHBondContact O-CB 3.3Å; P58-Y61 PolarHBondContact O-N 2.72Å; P58-E64 HydrophobicContact CB-CB 4.3Å; P58-E64 HydrophobicContact CG-CB 3.75Å; P58-P65 WeakPolarHBondContact CD-O 3.48Å; P58-P65 VanDerWaalsContact CG-O 3.28Å; P58-P65 WeakPolarHBondContact CG-O 3.35Å
59E95.2Very high97.8Very high174 Ų17447.9 Ų47.981%0.81322%0.217SC*.THydrogen-bonded Turntrans-58.9-33.8179.4-171.2178.6179.200112.5R3 Y61R3-E59 WeakPolarHBondContact CD-O 3.38Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.32Å
60R96.6Very high97.8Very high143 Ų14348.1 Ų48.154%0.5422%0.218SC..THydrogen-bonded Turntrans-87.88.8179.2-62.6-173.962-127.31.4113.9P58 F63 E64P58-R60 PolarHBondContact O-N 2.88Å; R60-F63 WeakPolarHBondContact O-CA 3.4Å; R60-F63 WeakPolarHBondContact O-CB 3.24Å; R60-F63 PolarHBondContact O-N 3.02Å; R60-E64 HydrophobicContact CB-CB 4.29Å; R60-E64 HydrophobicContact CB-CG 3.88Å; R60-E64 WeakPolarHBondContact CD-OE1 3.21Å; R60-E64 IonicContact CZ-OE1 3.69Å; R60-E64 IonicContact NE-OE1 3.92Å; R60-E64 IonicContact NH1-OE1 2.89Å; R60-E64 PolarHBondContact NH1-OE1 3.24Å; R60-E64 PolarHBondContact O-N 3.39Å
61Y97.4Very high97.8Very high4 Ų450.3 Ų50.32%0.01623%0.228CC..THydrogen-bonded Turntrans-56.6129.6173.2-173.3-100.1000110.4R3 R6 E10 I57 P58 E59 E64 W98R3-Y61 WeakPolarHBondContact CB-O 3.37Å; R3-Y61 WeakPolarHBondContact CG-O 3.43Å; R6-Y61 HydrophobicContact CG-CE1 4.17Å; R6-Y61 PolarHBondContact NH2-OH 3Å; R6-Y61 VanDerWaalsContact NH2-OH 3.17Å; E10-Y61 WeakPolarHBondContact OE1-CE1 3.31Å; E10-Y61 PolarHBondContact OE1-OH 3.25Å; E10-Y61 PolarHBondContact OE2-OH 3.33Å; I57-Y61 HydrophobicContact CG2-CD1 3.84Å; I57-Y61 HydrophobicContact CG2-CD2 4.15Å; I57-Y61 HydrophobicContact CG2-CG 3.56Å; P58-Y61 VanDerWaalsContact O-CB 3.25Å; P58-Y61 WeakPolarHBondContact O-CB 3.3Å; P58-Y61 PolarHBondContact O-N 2.72Å; E59-Y61 VanDerWaalsContact C-N 3.31Å; E59-Y61 PolarHBondContact O-N 3.32Å; Y61-E64 WeakPolarHBondContact CD2-O 3.28Å; Y61-W98 HydrophobicContact CD2-CZ2 4.2Å; Y61-W98 AromaticContact CE2-CH2 3.63Å; Y61-W98 HydrophobicContact CE2-CH2 3.63Å; Y61-W98 AromaticContact CE2-CZ2 3.69Å; Y61-W98 HydrophobicContact CE2-CZ2 3.69Å
62P97.2Very high97.8Very high17 Ų1751 Ų5111%0.1123%0.233CC..THydrogen-bonded Turncis-100.311.314.540.5-39.5000116E64 W98 P100P62-E64 VanDerWaalsContact C-N 3.26Å; P62-W98 HydrophobicContact CB-CZ2 4.44Å; P62-W98 WeakPolarHBondContact O-CZ2 3.36Å; P62-W98 PolarHBondContact O-NE1 3.33Å; P62-P100 HydrophobicContact CB-CB 4.27Å; P62-P100 HydrophobicContact CG-CB 4.18Å; P62-P100 WeakPolarHBondContact O-CA 3.38Å
63F97.4Very high97.8Very high123 Ų12348.5 Ų48.554%0.53923%0.228SC..THydrogen-bonded Turntrans-74.3-22.5177.4-54.9-69.8000112.3R60 L92 P100R60-F63 WeakPolarHBondContact O-CA 3.4Å; R60-F63 WeakPolarHBondContact O-CB 3.24Å; R60-F63 PolarHBondContact O-N 3.02Å; F63-L92 WeakPolarHBondContact O-CD2 3.36Å; F63-P100 HydrophobicContact CD1-CB 4.43Å; F63-P100 HydrophobicContact CD1-CG 3.89Å; F63-P100 HydrophobicContact CE1-CG 4.43Å
64E97.9Very high97.8Very high56 Ų5649 Ų4926%0.26223%0.231SC..SBendtrans-111.1144.2167.7-69.8177.8-179.400110.6P58 R60 Y61 P62 L92P58-E64 HydrophobicContact CB-CB 4.3Å; P58-E64 HydrophobicContact CG-CB 3.75Å; R60-E64 HydrophobicContact CB-CB 4.29Å; R60-E64 HydrophobicContact CB-CG 3.88Å; R60-E64 WeakPolarHBondContact CD-OE1 3.21Å; R60-E64 IonicContact CZ-OE1 3.69Å; R60-E64 IonicContact NE-OE1 3.92Å; R60-E64 IonicContact NH1-OE1 2.89Å; R60-E64 PolarHBondContact NH1-OE1 3.24Å; R60-E64 PolarHBondContact O-N 3.39Å; Y61-E64 WeakPolarHBondContact CD2-O 3.28Å; P62-E64 VanDerWaalsContact C-N 3.26Å; E64-L92 HydrophobicContact CG-CD1 4.48Å
65P98.3Very high97.9Very high16 Ų1649.1 Ų49.110%0.10423%0.23CC..  trans-67.5155.217927.2-33.5000112P58 L90 W98P58-P65 WeakPolarHBondContact CD-O 3.48Å; P58-P65 VanDerWaalsContact CG-O 3.28Å; P58-P65 WeakPolarHBondContact CG-O 3.35Å; P65-L90 WeakPolarHBondContact CG-O 3.46Å; P65-W98 VanDerWaalsContact CA-CE2 3.48Å; P65-W98 HydrophobicContact CB-CB 4.09Å; P65-W98 HydrophobicContact CB-CD2 3.55Å; P65-W98 HydrophobicContact CB-CE3 3.85Å; P65-W98 HydrophobicContact CB-CG 3.65Å; P65-W98 HydrophobicContact CG-CB 4.39Å; P65-W98 HydrophobicContact CG-CG 4.16Å
66P98.2Very high97.9Very high2 Ų249.1 Ų49.11%0.01323%0.23CC..  trans-61.4144.2166.929.9-34.3000109.9V55 I57 I68 L90 V107V55-P66 HydrophobicContact CG1-CB 4.24Å; I57-P66 HydrophobicContact CD1-CB 4.02Å; P66-I68 HydrophobicContact CB-CD1 4.35Å; P66-I68 HydrophobicContact CB-CG1 4.16Å; P66-I68 HydrophobicContact CG-CD1 4.1Å; P66-I68 HydrophobicContact CG-CG1 4.31Å; P66-L90 WeakPolarHBondContact O-CD2 3.44Å; P66-V107 HydrophobicContact CG-CG2 4.4Å
67Q98.4Very high97.9Very high117 Ų11746.3 Ų46.355%0.54722%0.216SC..EExtended strand (participates in β ladder)trans-90.3115.3172.8-58.7173.811.800107.8I56I56-Q67 HydrophobicContact CB-CB 4.21Å; I56-Q67 PolarHBondContact N-O 2.81Å; I56-Q67 PolarHBondContact O-N 2.91Å
68I98.6Very high98Very high13 Ų1346.2 Ų46.27%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-123.1132.8-175.1-52.3-173.2000109.9L53 E54 V55 P66 I85 L90 V107 L108 I111L53-I68 HydrophobicContact CB-CG2 4.25Å; L53-I68 HydrophobicContact CD2-CG2 3.74Å; E54-I68 WeakPolarHBondContact O-CA 3.18Å; V55-I68 HydrophobicContact CB-CG1 4.4Å; V55-I68 HydrophobicContact CG1-CD1 4.27Å; V55-I68 HydrophobicContact CG1-CG1 4.14Å; V55-I68 HydrophobicContact CG2-CD1 4.07Å; V55-I68 HydrophobicContact CG2-CG1 4.03Å; V55-I68 HydrophobicContact CG2-CG2 4.1Å; P66-I68 HydrophobicContact CB-CD1 4.35Å; P66-I68 HydrophobicContact CB-CG1 4.16Å; P66-I68 HydrophobicContact CG-CD1 4.1Å; P66-I68 HydrophobicContact CG-CG1 4.31Å; I68-I85 HydrophobicContact CB-CD1 4.41Å; I68-I85 HydrophobicContact CG2-CD1 4Å; I68-L90 HydrophobicContact CB-CD2 4.22Å; I68-L90 HydrophobicContact CD1-CD2 4.11Å; I68-L90 HydrophobicContact CG1-CD2 4.02Å; I68-V107 HydrophobicContact CD1-CB 4.43Å; I68-V107 HydrophobicContact CD1-CG1 3.64Å; I68-L108 HydrophobicContact CD1-CD2 4.19Å; I68-I111 HydrophobicContact CB-CD1 4.25Å; I68-I111 HydrophobicContact CD1-CD1 4.02Å; I68-I111 HydrophobicContact CG2-CD1 3.76Å
69R98.6Very high98.1Very high100 Ų10045.7 Ų45.738%0.37721%0.212SC..EExtended strand (participates in β ladder)trans-140.8152.9171.866.8177.7-179.4102.27.7111.8L53 E54 G83L53-R69 CarbonylContact C-O 3.57Å; L53-R69 VanDerWaalsContact CA-O 3.24Å; L53-R69 WeakPolarHBondContact CA-O 3.43Å; L53-R69 WeakPolarHBondContact CB-O 3.4Å; E54-R69 HydrophobicContact CB-CG 4.22Å; E54-R69 PolarHBondContact N-O 3.46Å; E54-R69 PolarHBondContact O-N 3.49Å; E54-R69 VanDerWaalsContact O-N 3.13Å; E54-R69 IonicContact OE1-NH2 2.67Å; E54-R69 PolarHBondContact OE1-NH2 2.89Å; E54-R69 IonicContact OE2-CZ 3.28Å; E54-R69 IonicContact OE2-NE 3.87Å; E54-R69 PolarHBondContact OE2-NE 3.39Å; E54-R69 IonicContact OE2-NH2 3.75Å; E54-R69 PolarHBondContact OE2-NH2 3.49Å; R69-G83 CarbonylContact C-O 3.44Å; R69-G83 WeakPolarHBondContact CA-O 2.91Å; R69-G83 VanDerWaalsContact CB-O 3.28Å; R69-G83 WeakPolarHBondContact CB-O 3.48Å
70F98.8Very high98.3Very high6 Ų638.1 Ų38.13%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-71.8132.9171.5-77.9-102.1000110.4F51 L53 I74 I79 G83 I85 I111 M115F51-F70 HydrophobicContact CB-CD1 4.19Å; F51-F70 HydrophobicContact CB-CE1 3.89Å; F51-F70 HydrophobicContact CD1-CD1 4.46Å; F51-F70 HydrophobicContact CD1-CE1 4.33Å; F51-F70 HydrophobicContact CG-CE1 4.33Å; L53-F70 HydrophobicContact CD2-CD1 4.36Å; L53-F70 HydrophobicContact CD2-CD2 4.01Å; L53-F70 HydrophobicContact CD2-CE1 4.2Å; L53-F70 HydrophobicContact CD2-CE2 3.81Å; L53-F70 HydrophobicContact CD2-CG 4.28Å; L53-F70 HydrophobicContact CD2-CZ 3.92Å; L53-F70 HydrophobicContact CG-CD1 4.25Å; L53-F70 HydrophobicContact CG-CE1 4.35Å; L53-F70 HydrophobicContact CG-CG 4.38Å; F70-I74 HydrophobicContact CD1-CG2 3.97Å; F70-I74 HydrophobicContact CE1-CD1 4.15Å; F70-I74 HydrophobicContact CE1-CG2 4.3Å; F70-I74 HydrophobicContact CG-CG2 4.13Å; F70-I79 HydrophobicContact CB-CG2 4.42Å; F70-I79 HydrophobicContact CD2-CD1 3.88Å; F70-I79 HydrophobicContact CD2-CG1 4.29Å; F70-I79 HydrophobicContact CD2-CG2 3.74Å; F70-I79 HydrophobicContact CE1-CD1 4.37Å; F70-I79 HydrophobicContact CE2-CD1 3.33Å; F70-I79 HydrophobicContact CE2-CG1 4.02Å; F70-I79 HydrophobicContact CE2-CG2 4.32Å; F70-I79 HydrophobicContact CG-CG2 4.21Å; F70-I79 HydrophobicContact CZ-CD1 3.61Å; F70-G83 PolarHBondContact N-O 3.46Å; F70-I85 HydrophobicContact CD2-CD1 3.67Å; F70-I85 HydrophobicContact CD2-CG1 3.71Å; F70-I85 HydrophobicContact CE2-CD1 3.52Å; F70-I85 HydrophobicContact CE2-CG1 3.79Å; F70-I111 HydrophobicContact CE2-CG2 3.84Å; F70-I111 HydrophobicContact CZ-CG2 3.72Å; F70-M115 HydrophobicContact CE1-SD 4.26Å; F70-M115 HydrophobicContact CZ-CG 4.35Å; F70-M115 HydrophobicContact CZ-SD 4.07Å
71L98.3Very high98.3Very high68 Ų6836.9 Ų36.936%0.35619%0.19SC..SBendtrans-93.2-37166.1-61.5177.6000110.3K52 E54 P73K52-L71 HydrophobicContact CB-CB 4.21Å; K52-L71 PolarHBondContact O-N 2.81Å; E54-L71 HydrophobicContact CB-CD1 4.13Å; E54-L71 HydrophobicContact CB-CD2 3.95Å; E54-L71 HydrophobicContact CB-CG 4.05Å; L71-P73 WeakPolarHBondContact O-CD 3.45Å
72T98.6Very high98.3Very high15 Ų1539.3 Ų39.39%0.09221%0.211CC..SBendtrans-78.3124.3172.4-59.70000109.8F51 K52 I74 H150 A151F51-T72 HydrophobicContact CD1-CG2 4.02Å; K52-T72 PolarHBondContact N-OG1 2.7Å; K52-T72 PolarHBondContact O-N 2.86Å; K52-T72 VanDerWaalsContact O-N 3.15Å; T72-I74 PolarHBondContact O-N 3.13Å; T72-H150 WeakPolarHBondContact CG2-O 3.48Å; T72-A151 HydrophobicContact CG2-CB 3.82Å
73P98.6Very high98.3Very high60 Ų6038.8 Ų38.839%0.3921%0.209SC..  trans-56.7136.7173.8-24.933.9000112.2L71 W146 H150L71-P73 WeakPolarHBondContact O-CD 3.45Å; P73-W146 HydrophobicContact CB-CE3 4.18Å; P73-W146 HydrophobicContact CB-CZ3 3.8Å; P73-H150 HydrophobicContact CB-CB 4.16Å; P73-H150 HydrophobicContact CG-CB 4.39Å
74I98.8Very high98.4Very high11 Ų1140.6 Ų40.66%0.05621%0.212CC..  trans-138.7140180-172.4173.8000109.8Y46 F51 F70 T72 H76 I79 M115Y46-I74 HydrophobicContact CD1-CD1 3.86Å; Y46-I74 HydrophobicContact CD1-CG1 3.96Å; Y46-I74 HydrophobicContact CE1-CD1 3.78Å; Y46-I74 HydrophobicContact CE1-CG1 3.69Å; F51-I74 HydrophobicContact CD1-CB 4.13Å; F51-I74 HydrophobicContact CD1-CD1 3.96Å; F51-I74 HydrophobicContact CD1-CG1 4.22Å; F51-I74 HydrophobicContact CE1-CB 3.94Å; F51-I74 HydrophobicContact CE1-CD1 3.73Å; F51-I74 HydrophobicContact CE1-CG1 3.72Å; F51-I74 HydrophobicContact CZ-CD1 4.27Å; F51-I74 HydrophobicContact CZ-CG1 4.45Å; F70-I74 HydrophobicContact CD1-CG2 3.97Å; F70-I74 HydrophobicContact CE1-CD1 4.15Å; F70-I74 HydrophobicContact CE1-CG2 4.3Å; F70-I74 HydrophobicContact CG-CG2 4.13Å; T72-I74 PolarHBondContact O-N 3.13Å; I74-H76 HydrophobicContact CG1-CB 4.29Å; I74-H76 HydrophobicContact CG2-CB 4.49Å; I74-I79 HydrophobicContact CD1-CD1 4.17Å; I74-I79 HydrophobicContact CG2-CB 3.99Å; I74-I79 HydrophobicContact CG2-CD1 3.75Å; I74-I79 HydrophobicContact CG2-CG1 4.49Å; I74-I79 HydrophobicContact CG2-CG2 3.68Å; I74-M115 HydrophobicContact CD1-CE 4.06Å; I74-M115 HydrophobicContact CD1-CG 4.25Å
75Y98.8Very high98.4Very high32 Ų3238.8 Ų38.813%0.12520%0.204CC..  trans-9398.2176.6-169.7-96.3000109.5Y46 I128 E131 F139 N142 A143 W146Y46-Y75 PolarHBondContact OH-O 2.89Å; Y75-I128 HydrophobicContact CD1-CD1 4.45Å; Y75-I128 HydrophobicContact CD1-CG2 3.97Å; Y75-I128 HydrophobicContact CD2-CD1 3.69Å; Y75-I128 HydrophobicContact CD2-CG1 4.35Å; Y75-I128 HydrophobicContact CE1-CB 4.46Å; Y75-I128 HydrophobicContact CE1-CD1 4.39Å; Y75-I128 HydrophobicContact CE1-CG1 4.23Å; Y75-I128 HydrophobicContact CE1-CG2 3.64Å; Y75-I128 HydrophobicContact CE2-CD1 3.58Å; Y75-I128 HydrophobicContact CE2-CG1 3.74Å; Y75-I128 HydrophobicContact CG-CD1 4.14Å; Y75-E131 WeakPolarHBondContact CE1-OE1 3.28Å; Y75-E131 PolarHBondContact OH-OE1 2.73Å; Y75-F139 HydrophobicContact CD1-CD2 4.11Å; Y75-F139 HydrophobicContact CD1-CE2 4.06Å; Y75-F139 AromaticContact CE1-CD2 3.85Å; Y75-F139 HydrophobicContact CE1-CD2 3.85Å; Y75-F139 HydrophobicContact CE1-CE2 4.23Å; Y75-N142 HydrophobicContact CD1-CB 4.07Å; Y75-N142 HydrophobicContact CE1-CB 3.68Å; Y75-N142 HydrophobicContact CE2-CB 4.48Å; Y75-A143 HydrophobicContact CD1-CB 4.1Å; Y75-W146 HydrophobicContact CD2-CD2 4.17Å; Y75-W146 AromaticContact CD2-CE2 3.88Å; Y75-W146 HydrophobicContact CD2-CG 4.33Å; Y75-W146 HydrophobicContact CD2-CZ2 4.29Å; Y75-W146 AromaticContact CD2-NE1 3.85Å; Y75-W146 HydrophobicContact CG-CD2 4.45Å; Y75-W146 HydrophobicContact CG-CG 4.33Å
76H98.8Very high98.4Very high0 Ų038.5 Ų38.50%020%0.202CC..BIsolated β-bridgetrans-149141.8-170.4-168.6-81.7000111.9Y46 I74 N78 I79 L114Y46-H76 AromaticContact CZ-CD2 3.84Å; Y46-H76 PolarHBondContact OH-CD2 3.34Å; I74-H76 HydrophobicContact CG1-CB 4.29Å; I74-H76 HydrophobicContact CG2-CB 4.49Å; H76-N78 VanDerWaalsContact C-N 3.34Å; H76-N78 PolarHBondContact CE1-OD1 2.8Å; H76-N78 VanDerWaalsContact CE1-OD1 3.29Å; H76-N78 PolarHBondContact ND1-N 2.95Å; H76-N78 PolarHBondContact O-N 2.91Å; H76-I79 HydrophobicContact CB-CB 4.06Å; H76-I79 HydrophobicContact CB-CD1 3.91Å; H76-I79 HydrophobicContact CB-CG1 4.18Å; H76-I79 PolarHBondContact O-N 2.9Å; H76-L114 PolarHBondContact NE2-O 2.92Å
77P98.6Very high98.3Very high0 Ų039.4 Ų39.40%021%0.207CC..THydrogen-bonded Turntrans-60.3-37.7179.7-24.633.5000114.6P118 L124 M125 I128 F132 F139P77-P118 HydrophobicContact CG-CB 3.91Å; P77-L124 PolarHBondContact O-N 3.08Å; P77-M125 PolarHBondContact O-N 2.91Å; P77-I128 HydrophobicContact CG-CG2 4.05Å; P77-F132 HydrophobicContact CG-CB 4.13Å; P77-F132 HydrophobicContact CG-CD2 4.4Å; P77-F132 HydrophobicContact CG-CG 4.28Å; P77-F139 HydrophobicContact CG-CE2 4.37Å
78N98.8Very high98.1Very high1 Ų137.8 Ų37.81%0.00520%0.202CC..THydrogen-bonded Turntrans-98.47.6-175.7-49.799.6000114.8H76 C86 L114 N119 D122 L124H76-N78 VanDerWaalsContact C-N 3.34Å; H76-N78 PolarHBondContact CE1-OD1 2.8Å; H76-N78 VanDerWaalsContact CE1-OD1 3.29Å; H76-N78 PolarHBondContact ND1-N 2.95Å; H76-N78 PolarHBondContact O-N 2.91Å; N78-C86 HydrophobicContact CB-CB 4.41Å; N78-C86 PolarHBondContact O-N 2.82Å; N78-L114 HydrophobicContact CB-CD1 4.22Å; N78-L114 HydrophobicContact CB-CD2 4.07Å; N78-L114 HydrophobicContact CB-CG 4.46Å; N78-N119 PolarHBondContact ND2-O 3.46Å; N78-N119 PolarHBondContact OD1-N 2.91Å; N78-N119 PolarHBondContact OD1-O 3.18Å; N78-D122 PolarHBondContact ND2-O 3.28Å; N78-L124 WeakPolarHBondContact O-CD1 3.42Å
79I98.8Very high98.1Very high2 Ų237.9 Ų37.91%0.0120%0.203CC..BIsolated β-bridgetrans-129.9124.6178.9-53.1161.1000107.6F70 I74 H76 R84 I85 M125F70-I79 HydrophobicContact CB-CG2 4.42Å; F70-I79 HydrophobicContact CD2-CD1 3.88Å; F70-I79 HydrophobicContact CD2-CG1 4.29Å; F70-I79 HydrophobicContact CD2-CG2 3.74Å; F70-I79 HydrophobicContact CE1-CD1 4.37Å; F70-I79 HydrophobicContact CE2-CD1 3.33Å; F70-I79 HydrophobicContact CE2-CG1 4.02Å; F70-I79 HydrophobicContact CE2-CG2 4.32Å; F70-I79 HydrophobicContact CG-CG2 4.21Å; F70-I79 HydrophobicContact CZ-CD1 3.61Å; I74-I79 HydrophobicContact CD1-CD1 4.17Å; I74-I79 HydrophobicContact CG2-CB 3.99Å; I74-I79 HydrophobicContact CG2-CD1 3.75Å; I74-I79 HydrophobicContact CG2-CG1 4.49Å; I74-I79 HydrophobicContact CG2-CG2 3.68Å; H76-I79 HydrophobicContact CB-CB 4.06Å; H76-I79 HydrophobicContact CB-CD1 3.91Å; H76-I79 HydrophobicContact CB-CG1 4.18Å; H76-I79 PolarHBondContact O-N 2.9Å; I79-R84 VanDerWaalsContact CA-O 3.3Å; I79-R84 WeakPolarHBondContact CA-O 3.43Å; I79-I85 HydrophobicContact CG1-CG1 4.44Å; I79-I85 HydrophobicContact CG1-CG2 4.46Å; I79-M125 WeakPolarHBondContact O-CG 3.39Å
80D98.2Very high98Very high15 Ų1534.4 Ų34.48%0.0819%0.192CC..  trans-89.5177.9-178.473.812.4000113.6A82 G83 R84 L124 M125D80-A82 PolarHBondContact O-N 2.96Å; D80-A82 WeakPolarHBondContact OD1-CA 3.4Å; D80-A82 WeakPolarHBondContact OD1-CB 3.36Å; D80-A82 PolarHBondContact OD1-N 3.29Å; D80-G83 WeakPolarHBondContact O-CA 3.38Å; D80-G83 PolarHBondContact O-N 3.1Å; D80-G83 PolarHBondContact OD1-N 3.42Å; D80-G83 VanDerWaalsContact OD1-N 3.07Å; D80-R84 PolarHBondContact N-O 3.2Å; D80-R84 VanDerWaalsContact N-O 3.11Å; D80-R84 WeakPolarHBondContact OD1-CB 3.44Å; D80-R84 PolarHBondContact OD1-N 2.92Å; D80-R84 IonicContact OD1-NE 2.67Å; D80-R84 IonicContact OD2-CZ 3.15Å; D80-R84 IonicContact OD2-NE 2.79Å; D80-R84 PolarHBondContact OD2-NE 3.46Å; D80-R84 IonicContact OD2-NH2 2.67Å; D80-R84 PolarHBondContact OD2-NH2 3.31Å; D80-L124 HydrophobicContact CB-CB 4.28Å; D80-L124 HydrophobicContact CB-CD1 4.42Å; D80-M125 HydrophobicContact CB-CG 4.38Å; D80-M125 HydrophobicContact CB-SD 3.89Å
81S96.6Very high97.9Very high117 Ų11737.9 Ų37.982%0.81821%0.207SC*.THydrogen-bonded Turntrans-65.6-18.8-179.255.80000114.5G83S81-G83 VanDerWaalsContact C-N 3.29Å
82A97.6Very high97.8Very high55 Ų5538.5 Ų38.546%0.45521%0.21SC..THydrogen-bonded Turntrans-87.8-0.7172.600000112.3D80 R84D80-A82 PolarHBondContact O-N 2.96Å; D80-A82 WeakPolarHBondContact OD1-CA 3.4Å; D80-A82 WeakPolarHBondContact OD1-CB 3.36Å; D80-A82 PolarHBondContact OD1-N 3.29Å; A82-R84 VanDerWaalsContact C-N 3.33Å; A82-R84 HydrophobicContact CB-CG 4.38Å
83G98.3Very high97.7Very high6 Ų641.5 Ų41.56%0.06223%0.23CC..  trans80.49.4-17900000114R69 F70 D80 S81R69-G83 CarbonylContact C-O 3.44Å; R69-G83 WeakPolarHBondContact CA-O 2.91Å; R69-G83 VanDerWaalsContact CB-O 3.28Å; R69-G83 WeakPolarHBondContact CB-O 3.48Å; F70-G83 PolarHBondContact N-O 3.46Å; D80-G83 WeakPolarHBondContact O-CA 3.38Å; D80-G83 PolarHBondContact O-N 3.1Å; D80-G83 PolarHBondContact OD1-N 3.42Å; D80-G83 VanDerWaalsContact OD1-N 3.07Å; S81-G83 VanDerWaalsContact C-N 3.29Å
84R98.3Very high97.5Very high161 Ų16145.1 Ų45.161%0.60825%0.253SS*.BIsolated β-bridgetrans-69.5141.6177.2-59.4-178.7-63.6-179.82.3109.3I79 D80 A82 L124I79-R84 VanDerWaalsContact CA-O 3.3Å; I79-R84 WeakPolarHBondContact CA-O 3.43Å; D80-R84 PolarHBondContact N-O 3.2Å; D80-R84 VanDerWaalsContact N-O 3.11Å; D80-R84 WeakPolarHBondContact OD1-CB 3.44Å; D80-R84 PolarHBondContact OD1-N 2.92Å; D80-R84 IonicContact OD1-NE 2.67Å; D80-R84 IonicContact OD2-CZ 3.15Å; D80-R84 IonicContact OD2-NE 2.79Å; D80-R84 PolarHBondContact OD2-NE 3.46Å; D80-R84 IonicContact OD2-NH2 2.67Å; D80-R84 PolarHBondContact OD2-NH2 3.31Å; A82-R84 VanDerWaalsContact C-N 3.33Å; A82-R84 HydrophobicContact CB-CG 4.38Å; R84-L124 VanDerWaalsContact O-CD1 3.29Å; R84-L124 WeakPolarHBondContact O-CD1 3.39Å
85I98.6Very high97.2Very high18 Ų1853.9 Ų53.99%0.09229%0.291CS..BIsolated β-bridgetrans-112.4128.4-172.8-51.6170.6000109L53 I68 F70 I79 L87 L90 I111 L114L53-I85 HydrophobicContact CD2-CD1 4.31Å; I68-I85 HydrophobicContact CB-CD1 4.41Å; I68-I85 HydrophobicContact CG2-CD1 4Å; F70-I85 HydrophobicContact CD2-CD1 3.67Å; F70-I85 HydrophobicContact CD2-CG1 3.71Å; F70-I85 HydrophobicContact CE2-CD1 3.52Å; F70-I85 HydrophobicContact CE2-CG1 3.79Å; I79-I85 HydrophobicContact CG1-CG1 4.44Å; I79-I85 HydrophobicContact CG1-CG2 4.46Å; I85-L87 HydrophobicContact CG2-CB 3.93Å; I85-L90 HydrophobicContact CB-CD1 3.93Å; I85-L90 HydrophobicContact CD1-CD1 4.3Å; I85-L90 HydrophobicContact CG2-CD1 4.1Å; I85-I111 HydrophobicContact CD1-CD1 3.79Å; I85-I111 HydrophobicContact CD1-CG1 4.22Å; I85-I111 HydrophobicContact CD1-CG2 4.38Å; I85-L114 HydrophobicContact CG2-CD2 3.85Å
86C97.4Very high97Very high9 Ų953 Ų536%0.06129%0.292CS..  trans-90.8100.6164.9-168.20000109.6N78 K91 D122 L124N78-C86 HydrophobicContact CB-CB 4.41Å; N78-C86 PolarHBondContact O-N 2.82Å; C86-K91 PolarHBondContact SG-NZ 3.23Å; C86-D122 PolarHBondContact SG-OD2 3.37Å; C86-L124 HydrophobicContact CB-CD1 3.84Å; C86-L124 HydrophobicContact CB-CD2 3.9Å; C86-L124 HydrophobicContact CB-CG 3.58Å
87L96.7Very high96.9Very high21 Ų2154.6 Ų54.611%0.1131%0.305CS..  trans-146.2137.5176-174.762.6000108.8I85 V89 L90 I111 L114I85-L87 HydrophobicContact CG2-CB 3.93Å; L87-V89 HydrophobicContact CD2-CG2 3.58Å; L87-V89 HydrophobicContact CG-CG2 3.73Å; L87-L90 HydrophobicContact CB-CD1 4.16Å; L87-L90 HydrophobicContact CB-CG 4.43Å; L87-L90 PolarHBondContact O-N 2.68Å; L87-I111 HydrophobicContact CD2-CG1 3.7Å; L87-L114 HydrophobicContact CB-CD2 4.31Å; L87-L114 HydrophobicContact CD1-CD2 4.28Å
88D95.6Very high96.9Very high83 Ų8354.8 Ų54.844%0.44431%0.306SS..G310 helixtrans-66.4-38.3-173.464.9-25.7000113.1L90 K91 G96 A97D88-L90 PolarHBondContact O-N 3.17Å; D88-L90 VanDerWaalsContact O-N 3.15Å; D88-K91 PolarHBondContact O-N 3.03Å; D88-G96 WeakPolarHBondContact O-CA 3.35Å; D88-A97 HydrophobicContact CB-CB 4.13Å; D88-A97 PolarHBondContact O-N 3.04Å; D88-A97 VanDerWaalsContact OD2-CB 3.31Å; D88-A97 WeakPolarHBondContact OD2-CB 3.48Å
89V97.1Very high96.8Very high16 Ų1662.6 Ų62.610%0.09734%0.335CS..G310 helixtrans-66.8-12177.6-63.70000113.4L87 A97 L102 V107L87-V89 HydrophobicContact CD2-CG2 3.58Å; L87-V89 HydrophobicContact CG-CG2 3.73Å; V89-A97 HydrophobicContact CG1-CB 4.22Å; V89-L102 HydrophobicContact CB-CD1 4.21Å; V89-L102 HydrophobicContact CG1-CD1 4Å; V89-V107 HydrophobicContact CG2-CG1 4.28Å; V89-V107 HydrophobicContact CG2-CG2 4.4Å
90L97.4Very high96.8Very high27 Ų2765 Ų6514%0.14135%0.351CS..G310 helixtrans-91.8-2172-67.2174.7000113.1P65 P66 I68 I85 L87 D88 V107 I111P65-L90 WeakPolarHBondContact CG-O 3.46Å; P66-L90 WeakPolarHBondContact O-CD2 3.44Å; I68-L90 HydrophobicContact CB-CD2 4.22Å; I68-L90 HydrophobicContact CD1-CD2 4.11Å; I68-L90 HydrophobicContact CG1-CD2 4.02Å; I85-L90 HydrophobicContact CB-CD1 3.93Å; I85-L90 HydrophobicContact CD1-CD1 4.3Å; I85-L90 HydrophobicContact CG2-CD1 4.1Å; L87-L90 HydrophobicContact CB-CD1 4.16Å; L87-L90 HydrophobicContact CB-CG 4.43Å; L87-L90 PolarHBondContact O-N 2.68Å; D88-L90 PolarHBondContact O-N 3.17Å; D88-L90 VanDerWaalsContact O-N 3.15Å; L90-V107 HydrophobicContact CD2-CG1 3.44Å; L90-V107 VanDerWaalsContact CD2-CG1 3.44Å; L90-V107 HydrophobicContact CG-CG1 4.12Å; L90-I111 HydrophobicContact CD1-CD1 4.5Å
91K96.3Very high96.7Very high79 Ų7968.9 Ų68.934%0.34338%0.379SS..SBendtrans-115.8143.2-177.3-64.4175.5-171.8171.70110.3C86 D88 G96 A97 W98C86-K91 PolarHBondContact SG-NZ 3.23Å; D88-K91 PolarHBondContact O-N 3.03Å; K91-G96 CarbonylContact O-C 3.18Å; K91-G96 WeakPolarHBondContact O-CA 3.39Å; K91-A97 PolarHBondContact O-N 3.01Å; K91-W98 VanDerWaalsContact O-CB 3.26Å; K91-W98 WeakPolarHBondContact O-CB 3.47Å; K91-W98 PolarHBondContact O-N 2.64Å; K91-W98 VanDerWaalsContact O-N 3.09Å
92L96.6Very high96.7Very high81 Ų8165.1 Ų65.142%0.42435%0.35SS..  trans-71.6148.8174.1-74.2171000111.8F63 E64 K95 G96 W98F63-L92 WeakPolarHBondContact O-CD2 3.36Å; E64-L92 HydrophobicContact CG-CD1 4.48Å; L92-K95 PolarHBondContact O-N 3.33Å; L92-G96 PolarHBondContact O-N 3.43Å; L92-W98 HydrophobicContact CD2-CG 4.49Å
93P95.8Very high96.8Very high78 Ų7865 Ų6551%0.50634%0.342SS..THydrogen-bonded Turntrans-56.2151.5167.3-24.334.5000112.2W98P93-W98 WeakPolarHBondContact CD-O 3.42Å
94P94.8Very high96.8Very high136 Ų13664.8 Ų64.888%0.88334%0.339SS*.THydrogen-bonded Turncis-84.4-8.55.434-36.5000114.2
95K91.6Very high96.8Very high194 Ų19458.1 Ų58.184%0.84332%0.319SS*.THydrogen-bonded Turntrans-84.7-11.9-175.2-66-173.1179.3-177.90114L92L92-K95 PolarHBondContact O-N 3.33Å
96G94.6Very high96.8Very high15 Ų1559.9 Ų59.916%0.15533%0.33CS..SBendtrans-135.8179.8179.900000112.8D88 K91 L92D88-G96 WeakPolarHBondContact O-CA 3.35Å; K91-G96 CarbonylContact O-C 3.18Å; K91-G96 WeakPolarHBondContact O-CA 3.39Å; L92-G96 PolarHBondContact O-N 3.43Å
97A97.3Very high96.8Very high33 Ų3359.5 Ų59.527%0.27333%0.327SS..  trans-112.16.7-172.600000113.1D88 V89 K91 R99D88-A97 HydrophobicContact CB-CB 4.13Å; D88-A97 PolarHBondContact O-N 3.04Å; D88-A97 VanDerWaalsContact OD2-CB 3.31Å; D88-A97 WeakPolarHBondContact OD2-CB 3.48Å; V89-A97 HydrophobicContact CG1-CB 4.22Å; K91-A97 PolarHBondContact O-N 3.01Å; A97-R99 PolarHBondContact O-N 2.91Å
98W98.4Very high96.9Very high3 Ų358.5 Ų58.51%0.01132%0.322CS..  trans-57.7131.1176.1178-104.8000110.8Y61 P62 P65 K91 L92 P93 L102 V107Y61-W98 HydrophobicContact CD2-CZ2 4.2Å; Y61-W98 AromaticContact CE2-CH2 3.63Å; Y61-W98 HydrophobicContact CE2-CH2 3.63Å; Y61-W98 AromaticContact CE2-CZ2 3.69Å; Y61-W98 HydrophobicContact CE2-CZ2 3.69Å; P62-W98 HydrophobicContact CB-CZ2 4.44Å; P62-W98 WeakPolarHBondContact O-CZ2 3.36Å; P62-W98 PolarHBondContact O-NE1 3.33Å; P65-W98 VanDerWaalsContact CA-CE2 3.48Å; P65-W98 HydrophobicContact CB-CB 4.09Å; P65-W98 HydrophobicContact CB-CD2 3.55Å; P65-W98 HydrophobicContact CB-CE3 3.85Å; P65-W98 HydrophobicContact CB-CG 3.65Å; P65-W98 HydrophobicContact CG-CB 4.39Å; P65-W98 HydrophobicContact CG-CG 4.16Å; K91-W98 VanDerWaalsContact O-CB 3.26Å; K91-W98 WeakPolarHBondContact O-CB 3.47Å; K91-W98 PolarHBondContact O-N 2.64Å; K91-W98 VanDerWaalsContact O-N 3.09Å; L92-W98 HydrophobicContact CD2-CG 4.49Å; P93-W98 WeakPolarHBondContact CD-O 3.42Å; W98-L102 HydrophobicContact CE3-CB 4.05Å; W98-L102 HydrophobicContact CE3-CD1 4.18Å; W98-L102 HydrophobicContact CH2-CB 4.24Å; W98-L102 WeakPolarHBondContact CH2-O 3.45Å; W98-L102 HydrophobicContact CZ3-CB 3.69Å; W98-V107 HydrophobicContact CE3-CG2 4.26Å; W98-V107 HydrophobicContact CZ3-CG2 3.7Å
99R97.4Very high97.1Very high165 Ų16557.2 Ų57.262%0.62332%0.318SS*.  trans-134.6144.2171.7-64.5178.8-178.9-1750.1107.9A97 S101 L102A97-R99 PolarHBondContact O-N 2.91Å; R99-S101 PolarHBondContact O-N 3.06Å; R99-L102 HydrophobicContact CB-CG 4.44Å; R99-L102 WeakPolarHBondContact O-CB 3.29Å; R99-L102 PolarHBondContact O-N 2.88Å
100P97.4Very high97.1Very high53 Ų5358 Ų5834%0.34432%0.324SS..THydrogen-bonded Turntrans-57.4-17176.2-25.434.1000114.1R6 P62 F63 L102R6-P100 VanDerWaalsContact CZ-O 3.26Å; R6-P100 PolarHBondContact NH1-O 3.1Å; R6-P100 PolarHBondContact NH2-O 3.33Å; P62-P100 HydrophobicContact CB-CB 4.27Å; P62-P100 HydrophobicContact CG-CB 4.18Å; P62-P100 WeakPolarHBondContact O-CA 3.38Å; F63-P100 HydrophobicContact CD1-CB 4.43Å; F63-P100 HydrophobicContact CD1-CG 3.89Å; F63-P100 HydrophobicContact CE1-CG 4.43Å; P100-L102 VanDerWaalsContact C-N 3.34Å
101S96.8Very high97.2Very high96 Ų9656.8 Ų56.867%0.67132%0.317SS*.THydrogen-bonded Turntrans-73-22.8173.556.30000114.1R99R99-S101 PolarHBondContact O-N 3.06Å
102L97.9Very high97.3Very high38 Ų3855.1 Ų55.120%0.19931%0.311CS..  trans-74.3155.2174.1-58.7179.2000110.2R6 V89 W98 R99 P100 T106R6-L102 PolarHBondContact NH2-O 3.06Å; V89-L102 HydrophobicContact CB-CD1 4.21Å; V89-L102 HydrophobicContact CG1-CD1 4Å; W98-L102 HydrophobicContact CE3-CB 4.05Å; W98-L102 HydrophobicContact CE3-CD1 4.18Å; W98-L102 HydrophobicContact CH2-CB 4.24Å; W98-L102 WeakPolarHBondContact CH2-O 3.45Å; W98-L102 HydrophobicContact CZ3-CB 3.69Å; R99-L102 HydrophobicContact CB-CG 4.44Å; R99-L102 WeakPolarHBondContact O-CB 3.29Å; R99-L102 PolarHBondContact O-N 2.88Å; P100-L102 VanDerWaalsContact C-N 3.34Å; L102-T106 HydrophobicContact CD2-CG2 4.05Å
103N97.9Very high97.4Very high54 Ų5455.6 Ų55.629%0.28931%0.314SS..  trans-133.1173.6-177.365.547.9000111.4E10 A105 T106 V107E10-N103 HydrophobicContact CG-CB 4.25Å; E10-N103 WeakPolarHBondContact OE2-CB 3.46Å; N103-A105 VanDerWaalsContact C-N 3.32Å; N103-A105 PolarHBondContact O-N 2.65Å; N103-A105 WeakPolarHBondContact OD1-CB 3.45Å; N103-A105 PolarHBondContact OD1-N 2.98Å; N103-A105 VanDerWaalsContact OD1-N 3.1Å; N103-T106 PolarHBondContact O-N 3.07Å; N103-T106 PolarHBondContact OD1-N 3.23Å; N103-T106 PolarHBondContact OD1-OG1 2.88Å; N103-T106 VanDerWaalsContact OD1-OG1 3.06Å; N103-V107 WeakPolarHBondContact O-CG2 3.3Å; N103-V107 PolarHBondContact O-N 2.67Å; N103-V107 VanDerWaalsContact O-N 3.1Å
104I98.4Very high97.5Very high0 Ų052.5 Ų52.50%029%0.293CS..Hα-helixtrans-57.8-44.3-177.1-63.8161.2000111.3L7 E10 L14 L34 V55 I57 T106 V107 L108L7-I104 HydrophobicContact CD1-CD1 3.76Å; E10-I104 HydrophobicContact CB-CD1 4.5Å; E10-I104 WeakPolarHBondContact OE2-CG1 3.41Å; E10-I104 PolarHBondContact OE2-N 3.27Å; L14-I104 HydrophobicContact CD1-CB 4.14Å; L14-I104 HydrophobicContact CD1-CG2 3.92Å; L34-I104 HydrophobicContact CD1-CD1 4.01Å; V55-I104 HydrophobicContact CG1-CG2 4.38Å; I57-I104 HydrophobicContact CD1-CD1 3.65Å; I57-I104 HydrophobicContact CD1-CG1 4.04Å; I104-T106 PolarHBondContact O-N 2.92Å; I104-V107 PolarHBondContact O-N 2.67Å; I104-L108 HydrophobicContact CG2-CD1 3.85Å; I104-L108 HydrophobicContact CG2-CG 4.31Å; I104-L108 WeakPolarHBondContact O-CG 3.26Å; I104-L108 PolarHBondContact O-N 3.21Å
105A98.3Very high97.7Very high22 Ų2246.2 Ų46.218%0.18225%0.252CS..Hα-helixtrans-59.3-46.8178.900000111.5L14 P19 N103 V107 L108 T109L14-A105 HydrophobicContact CD2-CB 3.84Å; L14-A105 HydrophobicContact CG-CB 4.44Å; P19-A105 HydrophobicContact CG-CB 3.99Å; N103-A105 VanDerWaalsContact C-N 3.32Å; N103-A105 PolarHBondContact O-N 2.65Å; N103-A105 WeakPolarHBondContact OD1-CB 3.45Å; N103-A105 PolarHBondContact OD1-N 2.98Å; N103-A105 VanDerWaalsContact OD1-N 3.1Å; A105-V107 VanDerWaalsContact C-N 3.35Å; A105-V107 PolarHBondContact O-N 2.89Å; A105-L108 PolarHBondContact O-N 3.42Å; A105-T109 PolarHBondContact O-N 3.28Å; A105-T109 PolarHBondContact O-OG1 3.15Å
106T98.3Very high98Very high55 Ų5539.6 Ų39.634%0.33723%0.229SC..Hα-helixtrans-60.3-43.7178.2-51.20000111.9L102 N103 I104 T109 S110L102-T106 HydrophobicContact CD2-CG2 4.05Å; N103-T106 PolarHBondContact O-N 3.07Å; N103-T106 PolarHBondContact OD1-N 3.23Å; N103-T106 PolarHBondContact OD1-OG1 2.88Å; N103-T106 VanDerWaalsContact OD1-OG1 3.06Å; I104-T106 PolarHBondContact O-N 2.92Å; T106-T109 PolarHBondContact O-N 3.35Å; T106-S110 PolarHBondContact O-N 2.83Å; T106-S110 PolarHBondContact O-OG 3.26Å
107V98.6Very high98.1Very high0 Ų045.1 Ų45.10%025%0.251CS..Hα-helixtrans-65.7-43.2179.2177.30000111.3P66 I68 V89 L90 W98 N103 I104 A105 T109 S110 I111P66-V107 HydrophobicContact CG-CG2 4.4Å; I68-V107 HydrophobicContact CD1-CB 4.43Å; I68-V107 HydrophobicContact CD1-CG1 3.64Å; V89-V107 HydrophobicContact CG2-CG1 4.28Å; V89-V107 HydrophobicContact CG2-CG2 4.4Å; L90-V107 HydrophobicContact CD2-CG1 3.44Å; L90-V107 VanDerWaalsContact CD2-CG1 3.44Å; L90-V107 HydrophobicContact CG-CG1 4.12Å; W98-V107 HydrophobicContact CE3-CG2 4.26Å; W98-V107 HydrophobicContact CZ3-CG2 3.7Å; N103-V107 WeakPolarHBondContact O-CG2 3.3Å; N103-V107 PolarHBondContact O-N 2.67Å; N103-V107 VanDerWaalsContact O-N 3.1Å; I104-V107 PolarHBondContact O-N 2.67Å; A105-V107 VanDerWaalsContact C-N 3.35Å; A105-V107 PolarHBondContact O-N 2.89Å; V107-T109 VanDerWaalsContact C-N 3.32Å; V107-T109 PolarHBondContact O-N 3.46Å; V107-S110 WeakPolarHBondContact O-CB 3.34Å; V107-S110 PolarHBondContact O-N 3.46Å; V107-I111 HydrophobicContact CG1-CD1 4.21Å; V107-I111 WeakPolarHBondContact O-CG1 3.43Å; V107-I111 PolarHBondContact O-N 3.15Å
108L98.8Very high98.1Very high0 Ų044.3 Ų44.30%024%0.243CC..Hα-helixtrans-63.1-38.8176-69.4172.8000111.6I22 C24 A36 I38 V55 I68 I104 A105 I111 Q112I22-L108 HydrophobicContact CD1-CB 4.11Å; I22-L108 HydrophobicContact CG2-CB 3.79Å; I22-L108 HydrophobicContact CG2-CD1 3.82Å; I22-L108 HydrophobicContact CG2-CG 4.41Å; C24-L108 HydrophobicContact CB-CD1 3.76Å; A36-L108 HydrophobicContact CB-CD1 3.89Å; A36-L108 HydrophobicContact CB-CD2 3.84Å; I38-L108 HydrophobicContact CD1-CD2 4.38Å; V55-L108 HydrophobicContact CG2-CD2 4.33Å; I68-L108 HydrophobicContact CD1-CD2 4.19Å; I104-L108 HydrophobicContact CG2-CD1 3.85Å; I104-L108 HydrophobicContact CG2-CG 4.31Å; I104-L108 WeakPolarHBondContact O-CG 3.26Å; I104-L108 PolarHBondContact O-N 3.21Å; A105-L108 PolarHBondContact O-N 3.42Å; L108-I111 HydrophobicContact CD2-CD1 4.39Å; L108-I111 PolarHBondContact O-N 3.11Å; L108-Q112 PolarHBondContact O-N 3.02Å
109T98.6Very high98Very high57 Ų5747.6 Ų47.635%0.3526%0.261SS..Hα-helixtrans-61.9-42.3172.5-58.50000111.5A105 T106 V107 I111 Q112 L113A105-T109 PolarHBondContact O-N 3.28Å; A105-T109 PolarHBondContact O-OG1 3.15Å; T106-T109 PolarHBondContact O-N 3.35Å; V107-T109 VanDerWaalsContact C-N 3.32Å; V107-T109 PolarHBondContact O-N 3.46Å; T109-I111 VanDerWaalsContact C-N 3.29Å; T109-I111 PolarHBondContact O-N 2.93Å; T109-Q112 PolarHBondContact O-N 3.06Å; T109-L113 PolarHBondContact O-N 3.24Å
110S98.6Very high97.8Very high33 Ų3341 Ų4123%0.23124%0.24CC..Hα-helixtrans-63.3-34.5174.5-60.90000112.5T106 V107 L113 L114T106-S110 PolarHBondContact O-N 2.83Å; T106-S110 PolarHBondContact O-OG 3.26Å; V107-S110 WeakPolarHBondContact O-CB 3.34Å; V107-S110 PolarHBondContact O-N 3.46Å; S110-L113 PolarHBondContact O-N 3.2Å; S110-L114 WeakPolarHBondContact O-CB 3.46Å; S110-L114 PolarHBondContact O-N 2.93Å
111I98.8Very high97.5Very high0 Ų044.2 Ų44.20%025%0.254CS..Hα-helixtrans-68.1-42.7173.7-66.6164.5000110.9I38 L53 I68 F70 I85 L87 L90 V107 L108 T109 L113 L114 M115I38-I111 HydrophobicContact CD1-CB 4.12Å; I38-I111 HydrophobicContact CD1-CG2 3.77Å; L53-I111 HydrophobicContact CD2-CD1 4.41Å; L53-I111 HydrophobicContact CD2-CG2 4.23Å; I68-I111 HydrophobicContact CB-CD1 4.25Å; I68-I111 HydrophobicContact CD1-CD1 4.02Å; I68-I111 HydrophobicContact CG2-CD1 3.76Å; F70-I111 HydrophobicContact CE2-CG2 3.84Å; F70-I111 HydrophobicContact CZ-CG2 3.72Å; I85-I111 HydrophobicContact CD1-CD1 3.79Å; I85-I111 HydrophobicContact CD1-CG1 4.22Å; I85-I111 HydrophobicContact CD1-CG2 4.38Å; L87-I111 HydrophobicContact CD2-CG1 3.7Å; L90-I111 HydrophobicContact CD1-CD1 4.5Å; V107-I111 HydrophobicContact CG1-CD1 4.21Å; V107-I111 WeakPolarHBondContact O-CG1 3.43Å; V107-I111 PolarHBondContact O-N 3.15Å; L108-I111 HydrophobicContact CD2-CD1 4.39Å; L108-I111 PolarHBondContact O-N 3.11Å; T109-I111 VanDerWaalsContact C-N 3.29Å; T109-I111 PolarHBondContact O-N 2.93Å; I111-L113 VanDerWaalsContact C-N 3.29Å; I111-L113 PolarHBondContact O-N 3.46Å; I111-L114 WeakPolarHBondContact O-CB 3.47Å; I111-L114 PolarHBondContact O-N 3.21Å; I111-M115 WeakPolarHBondContact O-CG 3.44Å; I111-M115 PolarHBondContact O-N 3.23Å
112Q98.6Very high97.3Very high44 Ų4443.5 Ų43.521%0.20624%0.242CC..Hα-helixtrans-61.5-39174.9-175.2-173.755.800111.7P20 I22 I38 L108 T109 M115 S116P20-Q112 PolarHBondContact O-NE2 3.28Å; I22-Q112 HydrophobicContact CD1-CB 4.09Å; I38-Q112 HydrophobicContact CG2-CB 3.91Å; I38-Q112 HydrophobicContact CG2-CG 3.85Å; L108-Q112 PolarHBondContact O-N 3.02Å; T109-Q112 PolarHBondContact O-N 3.06Å; Q112-M115 PolarHBondContact O-N 2.68Å; Q112-S116 PolarHBondContact O-N 3.43Å; Q112-S116 PolarHBondContact O-OG 3.33Å
113L98.4Very high97.2Very high92 Ų9244 Ų4448%0.48225%0.248SC..Hα-helixtrans-64.3-46173.2-177.462.5000111.1T109 S110 I111 M115 S116 E117T109-L113 PolarHBondContact O-N 3.24Å; S110-L113 PolarHBondContact O-N 3.2Å; I111-L113 VanDerWaalsContact C-N 3.29Å; I111-L113 PolarHBondContact O-N 3.46Å; L113-M115 VanDerWaalsContact C-N 3.26Å; L113-M115 PolarHBondContact O-N 2.97Å; L113-S116 CarbonylContact O-C 2.88Å; L113-S116 WeakPolarHBondContact O-CA 3.39Å; L113-S116 WeakPolarHBondContact O-CB 3.45Å; L113-S116 PolarHBondContact O-N 3.22Å; L113-E117 HydrophobicContact CD1-CG 4.25Å; L113-E117 PolarHBondContact O-N 2.95Å
114L98.4Very high97.1Very high13 Ų1344.8 Ų44.87%0.06825%0.252CS..Hα-helixtrans-56.8-40.2176.6-179.267.7000112H76 N78 I85 L87 S110 I111 S116 E117H76-L114 PolarHBondContact NE2-O 2.92Å; N78-L114 HydrophobicContact CB-CD1 4.22Å; N78-L114 HydrophobicContact CB-CD2 4.07Å; N78-L114 HydrophobicContact CB-CG 4.46Å; I85-L114 HydrophobicContact CG2-CD2 3.85Å; L87-L114 HydrophobicContact CB-CD2 4.31Å; L87-L114 HydrophobicContact CD1-CD2 4.28Å; S110-L114 WeakPolarHBondContact O-CB 3.46Å; S110-L114 PolarHBondContact O-N 2.93Å; I111-L114 WeakPolarHBondContact O-CB 3.47Å; I111-L114 PolarHBondContact O-N 3.21Å; L114-S116 PolarHBondContact O-N 3.44Å; L114-E117 CarbonylContact O-C 3.59Å; L114-E117 PolarHBondContact O-N 3.41Å
115M98.6Very high97.1Very high4 Ų447.4 Ų47.42%0.0227%0.265CS..Hα-helixtrans-58.6-39.3174.3-69.1169.462.900111.5I38 Y46 F51 F70 I74 I111 Q112 L113I38-M115 HydrophobicContact CB-SD 4.46Å; I38-M115 HydrophobicContact CG2-CE 4.42Å; I38-M115 HydrophobicContact CG2-SD 3.83Å; Y46-M115 HydrophobicContact CD2-CB 4.33Å; Y46-M115 WeakPolarHBondContact CE2-O 3.41Å; Y46-M115 HydrophobicContact CG-CE 4.31Å; F51-M115 HydrophobicContact CD2-CE 3.48Å; F51-M115 VanDerWaalsContact CD2-CE 3.48Å; F51-M115 HydrophobicContact CE2-CE 3.68Å; F51-M115 HydrophobicContact CG-CE 3.98Å; F51-M115 HydrophobicContact CZ-CE 4.3Å; F70-M115 HydrophobicContact CE1-SD 4.26Å; F70-M115 HydrophobicContact CZ-CG 4.35Å; F70-M115 HydrophobicContact CZ-SD 4.07Å; I74-M115 HydrophobicContact CD1-CE 4.06Å; I74-M115 HydrophobicContact CD1-CG 4.25Å; I111-M115 WeakPolarHBondContact O-CG 3.44Å; I111-M115 PolarHBondContact O-N 3.23Å; Q112-M115 PolarHBondContact O-N 2.68Å; L113-M115 VanDerWaalsContact C-N 3.26Å; L113-M115 PolarHBondContact O-N 2.97Å
116S97.5Very high97Very high54 Ų5449.7 Ų49.738%0.37828%0.284SS..Hα-helixtrans-78.3-33.6-180-540000112.3Q112 L113 L114 P118Q112-S116 PolarHBondContact O-N 3.43Å; Q112-S116 PolarHBondContact O-OG 3.33Å; L113-S116 CarbonylContact O-C 2.88Å; L113-S116 WeakPolarHBondContact O-CA 3.39Å; L113-S116 WeakPolarHBondContact O-CB 3.45Å; L113-S116 PolarHBondContact O-N 3.22Å; L114-S116 PolarHBondContact O-N 3.44Å; S116-P118 WeakPolarHBondContact O-CD 3.43Å
117E97.3Very high97Very high132 Ų13253.6 Ų53.662%0.61730%0.303SS*.SBendtrans-126.877.3-174-61.9180-175.400110.8L113 L114L113-E117 HydrophobicContact CD1-CG 4.25Å; L113-E117 PolarHBondContact O-N 2.95Å; L114-E117 CarbonylContact O-C 3.59Å; L114-E117 PolarHBondContact O-N 3.41Å
118P97.5Very high97Very high16 Ų1654.2 Ų54.210%0.10431%0.306CS..  trans-62145.3178.7-23.834.8000112P77 S116 P120 F132P77-P118 HydrophobicContact CG-CB 3.91Å; S116-P118 WeakPolarHBondContact O-CD 3.43Å; P118-P120 WeakPolarHBondContact O-CD 3.47Å; P118-F132 HydrophobicContact CB-CD2 4.43Å; P118-F132 HydrophobicContact CB-CE1 4.47Å; P118-F132 HydrophobicContact CB-CE2 3.82Å; P118-F132 HydrophobicContact CB-CZ 3.84Å; P118-F132 HydrophobicContact CG-CD2 4.31Å; P118-F132 HydrophobicContact CG-CE2 3.53Å; P118-F132 HydrophobicContact CG-CZ 3.9Å
119N95.2Very high97Very high72 Ų7254.5 Ų54.539%0.38531%0.307SS..  trans-100.298.2175.2-179.8-0.5000110.5N78 D121N78-N119 PolarHBondContact ND2-O 3.46Å; N78-N119 PolarHBondContact OD1-N 2.91Å; N78-N119 PolarHBondContact OD1-O 3.18Å; N119-D121 PolarHBondContact O-N 3.46Å; N119-D121 PolarHBondContact OD1-N 2.94Å; N119-D121 VanDerWaalsContact OD1-N 3.07Å
120P93.9Very high97Very high26 Ų2654.6 Ų54.617%0.16931%0.311CS..THydrogen-bonded Turntrans-73.5-9.7-176.931.6-37.5000114.5P118 S129 F132 K133P118-P120 WeakPolarHBondContact O-CD 3.47Å; P120-S129 WeakPolarHBondContact CA-OG 3.3Å; P120-S129 WeakPolarHBondContact CB-OG 3.46Å; P120-S129 PolarHBondContact O-OG 3.45Å; P120-F132 HydrophobicContact CB-CD1 4.02Å; P120-F132 HydrophobicContact CB-CE1 4.31Å; P120-F132 HydrophobicContact CG-CD1 4.28Å; P120-F132 HydrophobicContact CG-CE1 4.11Å; P120-K133 HydrophobicContact CB-CD 3.78Å; P120-K133 HydrophobicContact CB-CG 3.55Å; P120-K133 HydrophobicContact CG-CD 4.48Å; P120-K133 HydrophobicContact CG-CG 4.17Å
121D91.8Very high97Very high120 Ų12055 Ų5564%0.64231%0.309SS*.THydrogen-bonded Turntrans-91.6-15.5-174.6-60-34.5000113.4N119 P123 K133N119-D121 PolarHBondContact O-N 3.46Å; N119-D121 PolarHBondContact OD1-N 2.94Å; N119-D121 VanDerWaalsContact OD1-N 3.07Å; D121-P123 VanDerWaalsContact C-CD 3.44Å; D121-K133 IonicContact OD1-NZ 2.82Å; D121-K133 PolarHBondContact OD1-NZ 2.88Å
122D91.8Very high96.9Very high81 Ų8156.3 Ų56.343%0.43331%0.314SS..SBendtrans-126.764.8168.7-169.921000111.4N78 C86N78-D122 PolarHBondContact ND2-O 3.28Å; C86-D122 PolarHBondContact SG-OD2 3.37Å
123P95.2Very high96.9Very high48 Ų4858.7 Ų58.731%0.31232%0.324SS..  trans-81.9145-173.434.6-35.5000112.7D121 S129D121-P123 VanDerWaalsContact C-CD 3.44Å; P123-S129 VanDerWaalsContact CB-CB 3.49Å
124L96.6Very high96.9Very high71 Ų7163 Ų6337%0.37234%0.335SS..SBendtrans-87.1-29.5162.4-67.1-176000111.8P77 N78 D80 R84 C86P77-L124 PolarHBondContact O-N 3.08Å; N78-L124 WeakPolarHBondContact O-CD1 3.42Å; D80-L124 HydrophobicContact CB-CB 4.28Å; D80-L124 HydrophobicContact CB-CD1 4.42Å; R84-L124 VanDerWaalsContact O-CD1 3.29Å; R84-L124 WeakPolarHBondContact O-CD1 3.39Å; C86-L124 HydrophobicContact CB-CD1 3.84Å; C86-L124 HydrophobicContact CB-CD2 3.9Å; C86-L124 HydrophobicContact CB-CG 3.58Å
125M98Very high96.8Very high56 Ų5665.9 Ų65.928%0.27635%0.351SS..  trans-114.592.9-179.1-63.1-61.3-67.200109.1P77 I79 D80 D127 I128 S129P77-M125 PolarHBondContact O-N 2.91Å; I79-M125 WeakPolarHBondContact O-CG 3.39Å; D80-M125 HydrophobicContact CB-CG 4.38Å; D80-M125 HydrophobicContact CB-SD 3.89Å; M125-D127 VanDerWaalsContact C-N 3.33Å; M125-D127 PolarHBondContact O-N 2.91Å; M125-I128 HydrophobicContact CB-CB 3.9Å; M125-I128 HydrophobicContact CB-CD1 3.76Å; M125-I128 HydrophobicContact CB-CG1 3.84Å; M125-I128 HydrophobicContact CE-CD1 4.1Å; M125-I128 HydrophobicContact CG-CD1 4Å; M125-I128 PolarHBondContact O-N 2.98Å; M125-S129 WeakPolarHBondContact O-CB 3.4Å; M125-S129 PolarHBondContact O-N 3.27Å
126A97.8Very high96.8Very high70 Ų7069.9 Ų69.958%0.57937%0.368SS*.Hα-helixtrans-58.5-42.5-17500000112.8S129 S130A126-S129 PolarHBondContact O-N 3.17Å; A126-S130 WeakPolarHBondContact O-CB 3.47Å; A126-S130 PolarHBondContact O-N 3.35Å
127D97.8Very high96.8Very high137 Ų13771.7 Ų71.773%0.73338%0.379SS*.Hα-helixtrans-64.8-44.3179.7-60.5-25.1000111.7M125 S129 S130 E131M125-D127 VanDerWaalsContact C-N 3.33Å; M125-D127 PolarHBondContact O-N 2.91Å; D127-S129 VanDerWaalsContact C-N 3.32Å; D127-S129 PolarHBondContact O-N 2.93Å; D127-S130 PolarHBondContact O-N 3.14Å; D127-E131 WeakPolarHBondContact O-CB 3.4Å; D127-E131 PolarHBondContact O-N 3.06Å
128I98.4Very high96.9Very high13 Ų1367.8 Ų67.87%0.06736%0.364CS..Hα-helixtrans-65.8-38.3177.3-54.9-176.8000110.3Y75 P77 M125 E131 F132 F139Y75-I128 HydrophobicContact CD1-CD1 4.45Å; Y75-I128 HydrophobicContact CD1-CG2 3.97Å; Y75-I128 HydrophobicContact CD2-CD1 3.69Å; Y75-I128 HydrophobicContact CD2-CG1 4.35Å; Y75-I128 HydrophobicContact CE1-CB 4.46Å; Y75-I128 HydrophobicContact CE1-CD1 4.39Å; Y75-I128 HydrophobicContact CE1-CG1 4.23Å; Y75-I128 HydrophobicContact CE1-CG2 3.64Å; Y75-I128 HydrophobicContact CE2-CD1 3.58Å; Y75-I128 HydrophobicContact CE2-CG1 3.74Å; Y75-I128 HydrophobicContact CG-CD1 4.14Å; P77-I128 HydrophobicContact CG-CG2 4.05Å; M125-I128 HydrophobicContact CB-CB 3.9Å; M125-I128 HydrophobicContact CB-CD1 3.76Å; M125-I128 HydrophobicContact CB-CG1 3.84Å; M125-I128 HydrophobicContact CE-CD1 4.1Å; M125-I128 HydrophobicContact CG-CD1 4Å; M125-I128 PolarHBondContact O-N 2.98Å; I128-E131 PolarHBondContact O-N 2.88Å; I128-F132 VanDerWaalsContact O-CB 3.32Å; I128-F132 WeakPolarHBondContact O-CB 3.32Å; I128-F132 PolarHBondContact O-N 3.16Å; I128-F139 HydrophobicContact CG2-CD2 3.95Å; I128-F139 HydrophobicContact CG2-CE2 3.84Å
129S98.3Very high96.9Very high5 Ų567.2 Ų67.24%0.03536%0.36CS..Hα-helixtrans-63.7-45.7174.7-172.20000111.9P120 P123 M125 A126 D127 E131 F132 K133P120-S129 WeakPolarHBondContact CA-OG 3.3Å; P120-S129 WeakPolarHBondContact CB-OG 3.46Å; P120-S129 PolarHBondContact O-OG 3.45Å; P123-S129 VanDerWaalsContact CB-CB 3.49Å; M125-S129 WeakPolarHBondContact O-CB 3.4Å; M125-S129 PolarHBondContact O-N 3.27Å; A126-S129 PolarHBondContact O-N 3.17Å; D127-S129 VanDerWaalsContact C-N 3.32Å; D127-S129 PolarHBondContact O-N 2.93Å; S129-E131 PolarHBondContact O-N 3Å; S129-F132 WeakPolarHBondContact O-CB 3.5Å; S129-F132 PolarHBondContact O-N 3.06Å; S129-K133 WeakPolarHBondContact O-CG 3.32Å; S129-K133 PolarHBondContact O-N 2.64Å
130S98.1Very high97.1Very high60 Ų6066.1 Ų66.142%0.4235%0.354SS..Hα-helixtrans-59.3-46.7175.6-172.60000111.2A126 D127 F132 K133 Y134A126-S130 WeakPolarHBondContact O-CB 3.47Å; A126-S130 PolarHBondContact O-N 3.35Å; D127-S130 PolarHBondContact O-N 3.14Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 3.36Å; S130-K133 PolarHBondContact O-N 3.36Å; S130-Y134 WeakPolarHBondContact O-CB 3.35Å; S130-Y134 WeakPolarHBondContact O-CD2 3.39Å; S130-Y134 PolarHBondContact O-N 2.88Å
131E98.3Very high97.3Very high40 Ų4070.5 Ų70.519%0.18737%0.37CS..Hα-helixtrans-60.3-41.9174.9-169.7176.679.400111.7Y75 D127 I128 S129 N135 K136 V138 F139 N142Y75-E131 WeakPolarHBondContact CE1-OE1 3.28Å; Y75-E131 PolarHBondContact OH-OE1 2.73Å; D127-E131 WeakPolarHBondContact O-CB 3.4Å; D127-E131 PolarHBondContact O-N 3.06Å; I128-E131 PolarHBondContact O-N 2.88Å; S129-E131 PolarHBondContact O-N 3Å; E131-N135 CarbonylContact O-C 3.49Å; E131-N135 VanDerWaalsContact O-CA 3.22Å; E131-N135 WeakPolarHBondContact O-CA 3.39Å; E131-N135 PolarHBondContact O-N 2.88Å; E131-N135 VanDerWaalsContact O-O 3.08Å; E131-K136 PolarHBondContact O-N 3.12Å; E131-V138 HydrophobicContact CG-CB 4.22Å; E131-V138 HydrophobicContact CG-CG1 4.19Å; E131-V138 WeakPolarHBondContact OE2-CG1 3.46Å; E131-F139 HydrophobicContact CG-CB 4.03Å; E131-F139 VanDerWaalsContact OE1-CA 3.31Å; E131-F139 WeakPolarHBondContact OE1-CA 3.48Å; E131-N142 PolarHBondContact OE1-ND2 3.31Å; E131-N142 PolarHBondContact OE2-ND2 2.81Å
132F98.1Very high97.7Very high28 Ų2866.6 Ų66.612%0.12335%0.349CS..Hα-helixtrans-62.8-42.6176178.2-89.9000112.9P77 P118 P120 I128 S129 S130 K136 F139P77-F132 HydrophobicContact CG-CB 4.13Å; P77-F132 HydrophobicContact CG-CD2 4.4Å; P77-F132 HydrophobicContact CG-CG 4.28Å; P118-F132 HydrophobicContact CB-CD2 4.43Å; P118-F132 HydrophobicContact CB-CE1 4.47Å; P118-F132 HydrophobicContact CB-CE2 3.82Å; P118-F132 HydrophobicContact CB-CZ 3.84Å; P118-F132 HydrophobicContact CG-CD2 4.31Å; P118-F132 HydrophobicContact CG-CE2 3.53Å; P118-F132 HydrophobicContact CG-CZ 3.9Å; P120-F132 HydrophobicContact CB-CD1 4.02Å; P120-F132 HydrophobicContact CB-CE1 4.31Å; P120-F132 HydrophobicContact CG-CD1 4.28Å; P120-F132 HydrophobicContact CG-CE1 4.11Å; I128-F132 VanDerWaalsContact O-CB 3.32Å; I128-F132 WeakPolarHBondContact O-CB 3.32Å; I128-F132 PolarHBondContact O-N 3.16Å; S129-F132 WeakPolarHBondContact O-CB 3.5Å; S129-F132 PolarHBondContact O-N 3.06Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 3.36Å; F132-K136 HydrophobicContact CD2-CD 4.03Å; F132-K136 HydrophobicContact CE2-CD 4.21Å; F132-K136 HydrophobicContact CG-CD 4.41Å; F132-K136 WeakPolarHBondContact O-CD 3.45Å; F132-F139 HydrophobicContact CB-CD2 4.1Å; F132-F139 HydrophobicContact CB-CG 4.2Å; F132-F139 AromaticContact CD2-CD1 3.69Å; F132-F139 HydrophobicContact CD2-CD1 3.69Å; F132-F139 HydrophobicContact CD2-CD2 4.19Å; F132-F139 AromaticContact CD2-CE1 3.57Å; F132-F139 HydrophobicContact CD2-CE1 3.57Å; F132-F139 HydrophobicContact CD2-CE2 4.09Å; F132-F139 HydrophobicContact CD2-CG 4.01Å; F132-F139 AromaticContact CD2-CZ 3.77Å; F132-F139 HydrophobicContact CD2-CZ 3.77Å; F132-F139 HydrophobicContact CE2-CD1 4.41Å; F132-F139 AromaticContact CE2-CE1 3.99Å; F132-F139 HydrophobicContact CE2-CE1 3.99Å; F132-F139 HydrophobicContact CE2-CZ 4.3Å
133K97.6Very high98Very high95 Ų9562.8 Ų62.841%0.41333%0.329SS..Hα-helixtrans-72.7-44.4-178.4-69.7-179.595.5145.90112.2P120 D121 S129 S130P120-K133 HydrophobicContact CB-CD 3.78Å; P120-K133 HydrophobicContact CB-CG 3.55Å; P120-K133 HydrophobicContact CG-CD 4.48Å; P120-K133 HydrophobicContact CG-CG 4.17Å; D121-K133 IonicContact OD1-NZ 2.82Å; D121-K133 PolarHBondContact OD1-NZ 2.88Å; S129-K133 WeakPolarHBondContact O-CG 3.32Å; S129-K133 PolarHBondContact O-N 2.64Å; S130-K133 PolarHBondContact O-N 3.36Å
134Y98.1Very high98.2Very high181 Ų18167 Ų6771%0.7134%0.338SS*.Hα-helixtrans-110.5-17.2-166.5-54.5-65.2000113.9S130S130-Y134 WeakPolarHBondContact O-CB 3.35Å; S130-Y134 WeakPolarHBondContact O-CD2 3.39Å; S130-Y134 PolarHBondContact O-N 2.88Å
135N97.7Very high98.3Very high75 Ų7568.6 Ų68.640%0.40134%0.344SS..  trans-14458.1179.8-161.9-12.8000112.4E131 P137 V138 F139E131-N135 CarbonylContact O-C 3.49Å; E131-N135 VanDerWaalsContact O-CA 3.22Å; E131-N135 WeakPolarHBondContact O-CA 3.39Å; E131-N135 PolarHBondContact O-N 2.88Å; E131-N135 VanDerWaalsContact O-O 3.08Å; N135-P137 VanDerWaalsContact C-N 3.3Å; N135-P137 VanDerWaalsContact O-N 3.15Å; N135-V138 HydrophobicContact CB-CB 4.5Å; N135-V138 VanDerWaalsContact CG-CG2 3.49Å; N135-V138 VanDerWaalsContact ND2-CG2 3.31Å; N135-V138 WeakPolarHBondContact ND2-CG2 3.31Å; N135-V138 PolarHBondContact O-N 3.13Å; N135-V138 VanDerWaalsContact OD1-CG2 3.3Å; N135-V138 WeakPolarHBondContact OD1-CG2 3.3Å; N135-F139 PolarHBondContact O-N 3.04Å
136K97.7Very high98.3Very high88 Ų8870.4 Ų70.438%0.38335%0.348SS..Hα-helixtrans-48.1-41.1-178.7-164.477.2174.9-143.20114.3E131 F132 V138 F139 L140E131-K136 PolarHBondContact O-N 3.12Å; F132-K136 HydrophobicContact CD2-CD 4.03Å; F132-K136 HydrophobicContact CE2-CD 4.21Å; F132-K136 HydrophobicContact CG-CD 4.41Å; F132-K136 WeakPolarHBondContact O-CD 3.45Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 2.85Å; K136-F139 HydrophobicContact CD-CD1 4.37Å; K136-F139 WeakPolarHBondContact O-CB 2.98Å; K136-F139 PolarHBondContact O-N 3.29Å; K136-L140 HydrophobicContact CG-CD1 4.24Å; K136-L140 HydrophobicContact CG-CG 4.36Å; K136-L140 VanDerWaalsContact O-CG 3.3Å; K136-L140 WeakPolarHBondContact O-CG 3.47Å; K136-L140 PolarHBondContact O-N 3.4Å
137P98.6Very high98.3Very high92 Ų9267.4 Ų67.460%0.59732%0.322SS*.Hα-helixtrans-60-39.3178.3-25.836.5000113.6N135 K141N135-P137 VanDerWaalsContact C-N 3.3Å; N135-P137 VanDerWaalsContact O-N 3.15Å; P137-K141 WeakPolarHBondContact O-CB 3.31Å; P137-K141 PolarHBondContact O-N 3.09Å
138V98.5Very high98.3Very high50 Ų5065.9 Ų65.930%0.30331%0.311SS..Hα-helixtrans-70-44.3177.6178.90000110.4E131 N135 K136 L140 K141 N142E131-V138 HydrophobicContact CG-CB 4.22Å; E131-V138 HydrophobicContact CG-CG1 4.19Å; E131-V138 WeakPolarHBondContact OE2-CG1 3.46Å; N135-V138 HydrophobicContact CB-CB 4.5Å; N135-V138 VanDerWaalsContact CG-CG2 3.49Å; N135-V138 VanDerWaalsContact ND2-CG2 3.31Å; N135-V138 WeakPolarHBondContact ND2-CG2 3.31Å; N135-V138 PolarHBondContact O-N 3.13Å; N135-V138 VanDerWaalsContact OD1-CG2 3.3Å; N135-V138 WeakPolarHBondContact OD1-CG2 3.3Å; K136-V138 VanDerWaalsContact C-N 3.32Å; K136-V138 PolarHBondContact O-N 2.85Å; V138-L140 VanDerWaalsContact C-N 3.33Å; V138-L140 PolarHBondContact O-N 3.16Å; V138-K141 WeakPolarHBondContact O-CB 3.31Å; V138-K141 PolarHBondContact O-N 3.18Å; V138-K141 VanDerWaalsContact O-N 3.12Å; V138-N142 PolarHBondContact O-N 3.42Å
139F98.7Very high98.3Very high3 Ų372.9 Ų72.91%0.01334%0.341CS..Hα-helixtrans-52.5-50.9172.8167.7-95.2000111.8P45 Y46 Y75 P77 I128 E131 F132 N135 K136 K141 N142 A143P45-F139 HydrophobicContact CG-CE1 4.24Å; Y46-F139 WeakPolarHBondContact OH-CZ 3.12Å; Y75-F139 HydrophobicContact CD1-CD2 4.11Å; Y75-F139 HydrophobicContact CD1-CE2 4.06Å; Y75-F139 AromaticContact CE1-CD2 3.85Å; Y75-F139 HydrophobicContact CE1-CD2 3.85Å; Y75-F139 HydrophobicContact CE1-CE2 4.23Å; P77-F139 HydrophobicContact CG-CE2 4.37Å; I128-F139 HydrophobicContact CG2-CD2 3.95Å; I128-F139 HydrophobicContact CG2-CE2 3.84Å; E131-F139 HydrophobicContact CG-CB 4.03Å; E131-F139 VanDerWaalsContact OE1-CA 3.31Å; E131-F139 WeakPolarHBondContact OE1-CA 3.48Å; F132-F139 HydrophobicContact CB-CD2 4.1Å; F132-F139 HydrophobicContact CB-CG 4.2Å; F132-F139 AromaticContact CD2-CD1 3.69Å; F132-F139 HydrophobicContact CD2-CD1 3.69Å; F132-F139 HydrophobicContact CD2-CD2 4.19Å; F132-F139 AromaticContact CD2-CE1 3.57Å; F132-F139 HydrophobicContact CD2-CE1 3.57Å; F132-F139 HydrophobicContact CD2-CE2 4.09Å; F132-F139 HydrophobicContact CD2-CG 4.01Å; F132-F139 AromaticContact CD2-CZ 3.77Å; F132-F139 HydrophobicContact CD2-CZ 3.77Å; F132-F139 HydrophobicContact CE2-CD1 4.41Å; F132-F139 AromaticContact CE2-CE1 3.99Å; F132-F139 HydrophobicContact CE2-CE1 3.99Å; F132-F139 HydrophobicContact CE2-CZ 4.3Å; N135-F139 PolarHBondContact O-N 3.04Å; K136-F139 HydrophobicContact CD-CD1 4.37Å; K136-F139 WeakPolarHBondContact O-CB 2.98Å; K136-F139 PolarHBondContact O-N 3.29Å; F139-K141 VanDerWaalsContact C-N 3.3Å; F139-K141 PolarHBondContact O-N 2.96Å; F139-N142 PolarHBondContact O-N 3.03Å; F139-A143 HydrophobicContact CZ-CB 4.32Å; F139-A143 VanDerWaalsContact O-CB 3.3Å; F139-A143 WeakPolarHBondContact O-CB 3.49Å; F139-A143 PolarHBondContact O-N 3.29Å
140L98.6Very high98.3Very high50 Ų5075.9 Ų75.926%0.26235%0.354SS..Hα-helixtrans-62.6-37.5-179.3-69.1173.8000112P45 K136 V138 R144P45-L140 HydrophobicContact CB-CD2 4.12Å; P45-L140 HydrophobicContact CG-CD2 3.94Å; K136-L140 HydrophobicContact CG-CD1 4.24Å; K136-L140 HydrophobicContact CG-CG 4.36Å; K136-L140 VanDerWaalsContact O-CG 3.3Å; K136-L140 WeakPolarHBondContact O-CG 3.47Å; K136-L140 PolarHBondContact O-N 3.4Å; V138-L140 VanDerWaalsContact C-N 3.33Å; V138-L140 PolarHBondContact O-N 3.16Å; L140-R144 WeakPolarHBondContact O-CB 3.3Å; L140-R144 VanDerWaalsContact O-CG 3.32Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.29Å; L140-R144 VanDerWaalsContact O-N 3.15Å; L140-R144 PolarHBondContact O-NE 2.86Å; L140-R144 VanDerWaalsContact O-NE 3.13Å
141K98.7Very high98.2Very high118 Ų11873.2 Ų73.251%0.51334%0.336SS..Hα-helixtrans-64.2-50.8175-177.9-175.4174.7-174.30110.9P137 V138 F139 R144 Q145P137-K141 WeakPolarHBondContact O-CB 3.31Å; P137-K141 PolarHBondContact O-N 3.09Å; V138-K141 WeakPolarHBondContact O-CB 3.31Å; V138-K141 PolarHBondContact O-N 3.18Å; V138-K141 VanDerWaalsContact O-N 3.12Å; F139-K141 VanDerWaalsContact C-N 3.3Å; F139-K141 PolarHBondContact O-N 2.96Å; K141-R144 PolarHBondContact O-N 3.32Å; K141-Q145 WeakPolarHBondContact O-CG 3.47Å; K141-Q145 PolarHBondContact O-N 2.91Å
142N98.6Very high98Very high38 Ų3876.7 Ų76.720%0.20335%0.347CS..Hα-helixtrans-63.1-45.6-178.2-69-14.1000111.5Y75 E131 V138 F139 R144 Q145 W146Y75-N142 HydrophobicContact CD1-CB 4.07Å; Y75-N142 HydrophobicContact CE1-CB 3.68Å; Y75-N142 HydrophobicContact CE2-CB 4.48Å; E131-N142 PolarHBondContact OE1-ND2 3.31Å; E131-N142 PolarHBondContact OE2-ND2 2.81Å; V138-N142 PolarHBondContact O-N 3.42Å; F139-N142 PolarHBondContact O-N 3.03Å; N142-R144 PolarHBondContact O-N 3.36Å; N142-Q145 PolarHBondContact O-N 2.92Å; N142-W146 PolarHBondContact O-N 2.94Å
143A98.8Very high97.1Very high0 Ų082.4 Ų82.40%037%0.374CS..Hα-helixtrans-62-39.4177.800000112.8P45 Y46 Y75 F139 W146 T147P45-A143 HydrophobicContact CB-CB 3.58Å; P45-A143 HydrophobicContact CG-CB 3.75Å; Y46-A143 HydrophobicContact CE1-CB 4.19Å; Y75-A143 HydrophobicContact CD1-CB 4.1Å; F139-A143 HydrophobicContact CZ-CB 4.32Å; F139-A143 VanDerWaalsContact O-CB 3.3Å; F139-A143 WeakPolarHBondContact O-CB 3.49Å; F139-A143 PolarHBondContact O-N 3.29Å; A143-W146 PolarHBondContact O-N 3.35Å; A143-T147 WeakPolarHBondContact O-CB 3.22Å; A143-T147 PolarHBondContact O-N 3.18Å; A143-T147 PolarHBondContact O-OG1 2.91Å
144R98.7Very high95.6Very high136 Ų13687.3 Ų87.351%0.51340%0.395SS..Hα-helixtrans-64.6-44.2173-79.1-176.9-72-121.41.8112.4P45 L140 K141 N142 W146 T147 E148P45-R144 HydrophobicContact CB-CG 3.8Å; P45-R144 WeakPolarHBondContact O-CA 3.32Å; P45-R144 WeakPolarHBondContact O-CG 3.49Å; L140-R144 WeakPolarHBondContact O-CB 3.3Å; L140-R144 VanDerWaalsContact O-CG 3.32Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.29Å; L140-R144 VanDerWaalsContact O-N 3.15Å; L140-R144 PolarHBondContact O-NE 2.86Å; L140-R144 VanDerWaalsContact O-NE 3.13Å; K141-R144 PolarHBondContact O-N 3.32Å; N142-R144 PolarHBondContact O-N 3.36Å; R144-W146 VanDerWaalsContact C-N 3.32Å; R144-W146 PolarHBondContact O-N 3.12Å; R144-T147 PolarHBondContact O-N 3.47Å; R144-E148 WeakPolarHBondContact O-CB 3.21Å; R144-E148 PolarHBondContact O-N 3.46Å
145Q98.5Very high93.2Very high106 Ų10687 Ų8750%0.49540%0.4SS..Hα-helixtrans-62.3-40.8177.3-73.1178.7-21.100112K141 N142 E148 K149K141-Q145 WeakPolarHBondContact O-CG 3.47Å; K141-Q145 PolarHBondContact O-N 2.91Å; N142-Q145 PolarHBondContact O-N 2.92Å; Q145-E148 PolarHBondContact O-N 3.37Å; Q145-K149 VanDerWaalsContact O-CB 3.31Å; Q145-K149 WeakPolarHBondContact O-CB 3.35Å; Q145-K149 PolarHBondContact O-N 3.31Å
146W98.4Very high90.7Very high93 Ų9392.4 Ų92.435%0.35242%0.42SS..Hα-helixtrans-64.6-43.9174.6-91.864.5000112.2P73 Y75 N142 A143 R144 E148 K149 H150P73-W146 HydrophobicContact CB-CE3 4.18Å; P73-W146 HydrophobicContact CB-CZ3 3.8Å; Y75-W146 HydrophobicContact CD2-CD2 4.17Å; Y75-W146 AromaticContact CD2-CE2 3.88Å; Y75-W146 HydrophobicContact CD2-CG 4.33Å; Y75-W146 HydrophobicContact CD2-CZ2 4.29Å; Y75-W146 AromaticContact CD2-NE1 3.85Å; Y75-W146 HydrophobicContact CG-CD2 4.45Å; Y75-W146 HydrophobicContact CG-CG 4.33Å; N142-W146 PolarHBondContact O-N 2.94Å; A143-W146 PolarHBondContact O-N 3.35Å; R144-W146 VanDerWaalsContact C-N 3.32Å; R144-W146 PolarHBondContact O-N 3.12Å; W146-E148 PolarHBondContact O-N 3.41Å; W146-K149 PolarHBondContact O-N 3.18Å; W146-H150 AromaticContact CE3-CD2 3.88Å; W146-H150 WeakPolarHBondContact O-CB 3.43Å; W146-H150 PolarHBondContact O-CD2 3.39Å; W146-H150 PolarHBondContact O-N 3.01Å
147T98.6Very high88.2Confident7 Ų793.8 Ų93.84%0.04344%0.436CS..Iπ-helixtrans-59-48176.1-61.50000110.9P45 F51 A143 R144 K149 A151 R152P45-T147 PolarHBondContact O-OG1 2.86Å; F51-T147 HydrophobicContact CZ-CG2 4.13Å; A143-T147 WeakPolarHBondContact O-CB 3.22Å; A143-T147 PolarHBondContact O-N 3.18Å; A143-T147 PolarHBondContact O-OG1 2.91Å; R144-T147 PolarHBondContact O-N 3.47Å; T147-K149 VanDerWaalsContact C-N 3.31Å; T147-K149 PolarHBondContact O-N 3.39Å; T147-A151 HydrophobicContact CG2-CB 4.23Å; T147-A151 CarbonylContact O-C 3.59Å; T147-A151 WeakPolarHBondContact O-CA 3.36Å; T147-A151 WeakPolarHBondContact O-CB 3.39Å; T147-A151 PolarHBondContact O-N 2.74Å; T147-R152 PolarHBondContact O-N 2.88Å
148E97.9Very high85.6Confident106 Ų10695 Ų9550%0.49544%0.438SS..Iπ-helixtrans-56.7-45.3175.8-173.564.2-145.200112R144 Q145 W146 R152R144-E148 WeakPolarHBondContact O-CB 3.21Å; R144-E148 PolarHBondContact O-N 3.46Å; Q145-E148 PolarHBondContact O-N 3.37Å; W146-E148 PolarHBondContact O-N 3.41Å; E148-R152 WeakPolarHBondContact OE1-CD 3.5Å; E148-R152 IonicContact OE1-CZ 3.64Å; E148-R152 IonicContact OE1-NE 2.73Å; E148-R152 IonicContact OE1-NH1 3.58Å; E148-R152 PolarHBondContact OE1-NH1 2.91Å; E148-R152 WeakPolarHBondContact OE2-CD 3.2Å; E148-R152 IonicContact OE2-CZ 3.33Å; E148-R152 IonicContact OE2-NE 3.85Å; E148-R152 IonicContact OE2-NH1 3.07Å; E148-R152 PolarHBondContact OE2-NH1 2.94Å
149K97.8Very high83Confident160 Ų160101.1 Ų101.170%0.69646%0.463SS*.Iπ-helixtrans-74.3-38-174.4-176.6176.6173.4-170.70113.6Q145 W146 T147Q145-K149 VanDerWaalsContact O-CB 3.31Å; Q145-K149 WeakPolarHBondContact O-CB 3.35Å; Q145-K149 PolarHBondContact O-N 3.31Å; W146-K149 PolarHBondContact O-N 3.18Å; T147-K149 VanDerWaalsContact C-N 3.31Å; T147-K149 PolarHBondContact O-N 3.39Å
150H97.8Very high80.6Confident68 Ų68109 Ų10932%0.31550%0.5SS..Iπ-helixtrans-115.2-28.3-165.6-63.7-66.3000114.2T72 P73 W146T72-H150 WeakPolarHBondContact CG2-O 3.48Å; P73-H150 HydrophobicContact CB-CB 4.16Å; P73-H150 HydrophobicContact CG-CB 4.39Å; W146-H150 AromaticContact CE3-CD2 3.88Å; W146-H150 WeakPolarHBondContact O-CB 3.43Å; W146-H150 PolarHBondContact O-CD2 3.39Å; W146-H150 PolarHBondContact O-N 3.01Å
151A97.5Very high78.1Confident4 Ų4114.9 Ų114.93%0.03353%0.526CS..Iπ-helixtrans-112.4-7.2-170.600000113.4V50 F51 T72 T147V50-A151 PolarHBondContact N-O 3.26Å; F51-A151 HydrophobicContact CD1-CB 4.05Å; F51-A151 HydrophobicContact CE1-CB 3.61Å; F51-A151 HydrophobicContact CE2-CB 4.18Å; F51-A151 HydrophobicContact CZ-CB 3.69Å; T72-A151 HydrophobicContact CG2-CB 3.82Å; T147-A151 HydrophobicContact CG2-CB 4.23Å; T147-A151 CarbonylContact O-C 3.59Å; T147-A151 WeakPolarHBondContact O-CA 3.36Å; T147-A151 WeakPolarHBondContact O-CB 3.39Å; T147-A151 PolarHBondContact O-N 2.74Å
152R93.7Very high75.8Confident113 Ų113117.6 Ų117.643%0.42654%0.542SS..SBendtrans-88.7130.9172.6-67.2-169.678.4-167.2-4.4110.9T147 E148 K154T147-R152 PolarHBondContact O-N 2.88Å; E148-R152 WeakPolarHBondContact OE1-CD 3.5Å; E148-R152 IonicContact OE1-CZ 3.64Å; E148-R152 IonicContact OE1-NE 2.73Å; E148-R152 IonicContact OE1-NH1 3.58Å; E148-R152 PolarHBondContact OE1-NH1 2.91Å; E148-R152 WeakPolarHBondContact OE2-CD 3.2Å; E148-R152 IonicContact OE2-CZ 3.33Å; E148-R152 IonicContact OE2-NE 3.85Å; E148-R152 IonicContact OE2-NH1 3.07Å; E148-R152 PolarHBondContact OE2-NH1 2.94Å; R152-K154 PolarHBondContact O-N 2.87Å
153Q79.1Confident73.4Confident147 Ų147122.1 Ų122.169%0.68757%0.566SS**PPolyproline II helixtrans-68.3119171.2-63.71797.500108Q155Q153-Q155 PolarHBondContact O-N 3.29Å
154K65.8Low70.9Confident198 Ų198128.9 Ų128.986%0.86160%0.602SS**PPolyproline II helixtrans-65123.1159.8-71.7-177.6179-177.10105.8R152 K156R152-K154 PolarHBondContact O-N 2.87Å; K154-K156 PolarHBondContact O-N 3.3Å
155Q47.9Very low68.5Low174 Ų174129.9 Ų129.981%0.81362%0.618SS**  trans-55.8115.7161.8-73.8-172.8-36.300105.9Q153 V157Q153-Q155 PolarHBondContact O-N 3.29Å; Q155-V157 HydrophobicContact CB-CG2 4.48Å; Q155-V157 PolarHBondContact O-N 2.83Å
156K45.4Very low66.3Low190 Ų190131.4 Ų131.483%0.82663%0.627SS**  trans-63.597.1153.5-79.7-173.8172.7-170.90103.4K154 D158K154-K156 PolarHBondContact O-N 3.3Å; K156-D158 PolarHBondContact O-N 3.47Å
157V44.5Very low63.7Low116 Ų116132.7 Ų132.770%0.70365%0.648SS**  trans-67.5118.7158.4-179.30000103.1Q155 E159Q155-V157 HydrophobicContact CB-CG2 4.48Å; Q155-V157 PolarHBondContact O-N 2.83Å; V157-E159 PolarHBondContact O-N 2.89Å
158D43.4Very low60.8Low119 Ų119141.3 Ų141.364%0.63669%0.688SS**  trans-57.5101.6-178.9-60.8-50.1000108.6K156 E160K156-D158 PolarHBondContact O-N 3.47Å; D158-E160 PolarHBondContact O-N 3.25Å
159E45.5Very low58.6Low178 Ų178141.2 Ų141.283%0.83271%0.705SS**THydrogen-bonded Turntrans-66.84.2174.9-76.3177.116100112.2V157V157-E159 PolarHBondContact O-N 2.89Å
160E47.1Very low55.7Low168 Ų168137.4 Ų137.479%0.78571%0.711SS**THydrogen-bonded Turntrans-82.9-18179.3-74.6-178.5165.500114D158 M162D158-E160 PolarHBondContact O-N 3.25Å; E160-M162 PolarHBondContact O-N 2.88Å
161E47.3Very low52.9Low173 Ų173141.2 Ų141.281%0.80873%0.734SS**THydrogen-bonded Turntrans-85.7-2.2-178.8-75.6-167162.300115.2
162M49.2Very low50Low175 Ų175145 Ų14586%0.86276%0.76SS**THydrogen-bonded Turntrans-95.1-2.4-176.3-69-83.6-179.400114.5E160E160-M162 PolarHBondContact O-N 2.88Å
163L48.7Very low47.2Very low133 Ų133148.8 Ų148.870%0.69678%0.779SS**SBendtrans-98.7-9.6-179-78.4161.4000114.7
164D45.7Very low45.1Very low142 Ų142147.6 Ų147.676%0.75978%0.782SS**SBendtrans-94.12.7-173.2-79.3-9.2000115.4
165N49.3Very low43.6Very low158 Ų158147.6 Ų147.685%0.84579%0.785SS**  trans-106.744.5177.5-87.3-27.2000113.6
166I51.6Low42.8Very low137 Ų137146.3 Ų146.370%0.70378%0.783SS**  trans-88.8114.2159-54.5176.1000106.8E168I166-E168 PolarHBondContact O-N 2.9Å; I166-E168 VanDerWaalsContact O-N 3.16Å
167P43.3Very low42.1Very low120 Ų120142.5 Ų142.578%0.77978%0.781SS**  trans-68.6116.1171.46.55000108.5A169P167-A169 PolarHBondContact O-N 2.82Å
168E38.9Very low41.6Very low188 Ų188142 Ų14288%0.87978%0.778SS**  trans-57.7125.7171.3-81.8-171.1143.400110.4I166 G170I166-E168 PolarHBondContact O-N 2.9Å; I166-E168 VanDerWaalsContact O-N 3.16Å; E168-G170 PolarHBondContact O-N 3.07Å; E168-G170 VanDerWaalsContact O-N 3.13Å
169A50.4Low41.2Very low105 Ų105144.6 Ų144.687%0.86879%0.786SS**  trans-69.1103.116900000109.4P167P167-A169 PolarHBondContact O-N 2.82Å
170G37.2Very low40.7Very low79 Ų79144.5 Ų144.581%0.81478%0.783SS**  trans-84.8122169.700000111.7E168E168-G170 PolarHBondContact O-N 3.07Å; E168-G170 VanDerWaalsContact O-N 3.13Å
171D38.4Very low40.2Very low148 Ų148147.5 Ų147.579%0.79179%0.787SS**  trans-90.4136.5-179.9-168.618.4000112.7
172S36.9Very low39.6Very low83 Ų83149.4 Ų149.458%0.5879%0.793SS**  trans70.8108.5143.9-81.70000123.7
173K36Very low39.1Very low193 Ų193145.5 Ų145.584%0.83979%0.788SS**  154118.198.3-95.6168.1-1761790116.7
174V33.9Very low38.6Very low122 Ų122144.7 Ų144.774%0.73979%0.794SS**  49.2113.6128.8-168.70000121.8
175H34.3Very low38.2Very low199 Ų199146 Ų14692%0.92180%0.795SS**  -146.7149.5129.6-118.754.7000113.2
176N31.1Very low37.6Very low146 Ų146145.2 Ų145.278%0.78179%0.791SS**  trans-101.8141.6-151.4-159.38.7000112
177S32.3Very low37Very low110 Ų110144.6 Ų144.677%0.76979%0.793SS**  trans-158.697.7152.552.40000113.4
178T32.1Very low36.6Very low106 Ų106142.1 Ų142.165%0.6579%0.79SS**  50.5112.8125.3-33.80000121.7
179Q36.4Very low36.7Very low173 Ų173139.9 Ų139.981%0.80879%0.788SS**  trans65.9139.7146.2-65.4172.810.200117.3
180K34.5Very low36.1Very low177 Ų177141.7 Ų141.777%0.7778%0.779SS**  cis-174.3133.440-147.3172.4-175.8173.90109.1
181R36.3Very low36.2Very low231 Ų231145.3 Ų145.387%0.87277%0.772SS**  trans20.6127.8149.2-56.2178.7177.5-176.2-2.5119.9
182K35.9Very low36.3Very low212 Ų212147.4 Ų147.492%0.92277%0.774SS**  -179.4144.895.1-110.7-179.3174.2-177.90111.8
183A36.8Very low36.3Very low93 Ų93152.4 Ų152.477%0.76979%0.786SS**  trans-91.8152.4-178.500000112.7
184S40.1Very low36.6Very low117 Ų117151.3 Ų151.382%0.81878%0.783SS**  trans-177.189.1144.9470000107.1
185Q37.3Very low37.7Very low168 Ų168149.8 Ų149.879%0.78578%0.776SS**  50.2111.191.5-86.9-167.7-25.400116.3
186L36.3Very low38.2Very low142 Ų142147.5 Ų147.574%0.74377%0.771SS**  72137.5127.4-59.1163.6000115.6
187V37.7Very low39Very low124 Ų124152.3 Ų152.375%0.75279%0.794SS**  -164137.152.6167.80000106.8V189V187-V189 HydrophobicContact CG1-CG2 4.44Å
188G36.2Very low39.3Very low69 Ų69154.4 Ų154.471%0.71180%0.795SS**  trans-86.8157.7165.100000111.7
189V40.6Very low39.7Very low140 Ų140156.9 Ų156.985%0.84880%0.802SS**  trans-147.1126.5154.4174.30000108.3V187V187-V189 HydrophobicContact CG1-CG2 4.44Å
190E38.3Very low39.9Very low144 Ų144156.1 Ų156.167%0.67380%0.802SS**  trans-67.8170.9173.2-53.5172.790.900113
191K39Very low40.2Very low154 Ų154154.8 Ų154.867%0.6780%0.804SS**  trans111.1123.3130.6-92.1160.5-176.6143.80118.9
192K40.2Very low40.5Very low193 Ų193150.1 Ų150.184%0.83980%0.8SS**  trans109.2111.2130.7-80.2173.9179.2-171.60118.6
193F37.5Very low40.8Very low187 Ų187145.9 Ų145.982%0.8279%0.792SS**  trans-30.6137.1142.7-91.1-107.9000115.1
194H41.6Very low41Very low170 Ų170149.7 Ų149.779%0.78779%0.793SS**  -173.2161.789.7-114.7-86.4000110.1
195P56.6Low41.1Very low91 Ų91152.2 Ų152.259%0.59179%0.791SS**  trans-93.3162.4-174.338.1-28.3000112.1
196D44.5Very low41.4Very low151 Ų151150.9 Ų150.981%0.80779%0.792SS**  trans172.7128.5131.5-84.6-21.9000109.2
197I48.7Very low41.9Very low246 Ų246151.7 Ų151.7100%1.26280%0.796SS**  trans-176.10133.1-84.5154.1000107.1

Retrieved 197 of 197 residues in 212.9 ms (Link to these results)

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