A0A077ZFP0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFP0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 134 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
1M71Confident78.8Confident94 Ų94111.8 Ų111.846%0.46361%0.606SS.*  0-66.50-75.2-16096.200110.9M10 V14 P15 F18M1-M10 HydrophobicContact CB-CE 3.85Å; M1-M10 HydrophobicContact CB-SD 3.75Å; M1-M10 HydrophobicContact CE-CE 3.99Å; M1-M10 HydrophobicContact CE-SD 3.85Å; M1-M10 HydrophobicContact CG-CE 4.44Å; M1-M10 HydrophobicContact CG-SD 4.45Å; M1-M10 WeakPolarHBondContact O-CE 3.3Å; M1-M10 HydrophobicContact SD-SD 4.36Å; M1-V14 HydrophobicContact CE-CG1 3.71Å; M1-P15 HydrophobicContact CB-CG 4.23Å; M1-P15 HydrophobicContact SD-CB 4.21Å; M1-P15 HydrophobicContact SD-CG 4.19Å; M1-F18 HydrophobicContact SD-CB 4.35Å
2Q72.6Confident78.9Confident121 Ų121111.7 Ų111.757%0.56561%0.605SS**  trans-86.2-17178.7-67.9-176.5-16.900114.8M10 N12 P15Q2-M10 HydrophobicContact CG-CG 4.15Å; Q2-M10 HydrophobicContact CG-SD 4.24Å; Q2-N12 PolarHBondContact NE2-OD1 3.19Å; Q2-P15 HydrophobicContact CG-CG 4.25Å
3S79.1Confident78.9Confident114 Ų114107.2 Ų107.280%0.79759%0.592SS**SBendtrans-89.8-1.5177.960.30000113.8
4D80.1Confident79.1Confident67 Ų67103.1 Ų103.136%0.35857%0.572SS.*  trans-96.3111.5-175.7-169.9-28.6000107.5D6 I7D4-D6 PolarHBondContact O-N 3.2Å; D4-D6 PolarHBondContact OD1-N 3.03Å; D4-I7 HydrophobicContact CB-CB 4.13Å; D4-I7 HydrophobicContact CB-CD1 3.68Å; D4-I7 HydrophobicContact CB-CG1 3.82Å; D4-I7 PolarHBondContact O-N 2.75Å; D4-I7 VanDerWaalsContact OD2-CD1 3.23Å; D4-I7 WeakPolarHBondContact OD2-CD1 3.31Å
5E80.6Confident79Confident198 Ų19897.4 Ų97.493%0.92554%0.541SS*.THydrogen-bonded Turntrans-68.3-25.1-172.9-62.9-171.117100112.5I7E5-I7 VanDerWaalsContact C-N 3.3Å
6D81.4Confident78.8Confident158 Ų15896.3 Ų96.385%0.84553%0.533SS*.THydrogen-bonded Turntrans-77.4-20.7177.5-66.6-35.5000112D4 G8D4-D6 PolarHBondContact O-N 3.2Å; D4-D6 PolarHBondContact OD1-N 3.03Å; D6-G8 PolarHBondContact O-N 3.21Å
7I74.8Confident78.6Confident77 Ų7794.5 Ų94.540%0.39553%0.525SS..SBendtrans-88.4106.1177.3-55.9179.6000108D4 E5 M10D4-I7 HydrophobicContact CB-CB 4.13Å; D4-I7 HydrophobicContact CB-CD1 3.68Å; D4-I7 HydrophobicContact CB-CG1 3.82Å; D4-I7 PolarHBondContact O-N 2.75Å; D4-I7 VanDerWaalsContact OD2-CD1 3.23Å; D4-I7 WeakPolarHBondContact OD2-CD1 3.31Å; E5-I7 VanDerWaalsContact C-N 3.3Å; I7-M10 HydrophobicContact CB-CE 4.37Å; I7-M10 HydrophobicContact CG2-CE 3.3Å
8G79.1Confident78.5Confident58 Ų5895.2 Ų95.260%0.59852%0.522SS*.  trans-49.9162.3176.900000113.7D6 M10D6-G8 PolarHBondContact O-N 3.21Å; G8-M10 PolarHBondContact O-N 3.43Å
9K82.2Confident77.8Confident223 Ų22392.7 Ų92.797%0.9752%0.521SS*.  trans-50.7118.6-175-64.9-175.5-179.6178.60111.5
10M81.6Confident76.8Confident42 Ų4297.6 Ų97.621%0.20753%0.532CS..  trans-108.4148.2174.570.1-179.968.100111.4M1 Q2 I7 G8 V14 P15M1-M10 HydrophobicContact CB-CE 3.85Å; M1-M10 HydrophobicContact CB-SD 3.75Å; M1-M10 HydrophobicContact CE-CE 3.99Å; M1-M10 HydrophobicContact CE-SD 3.85Å; M1-M10 HydrophobicContact CG-CE 4.44Å; M1-M10 HydrophobicContact CG-SD 4.45Å; M1-M10 WeakPolarHBondContact O-CE 3.3Å; M1-M10 HydrophobicContact SD-SD 4.36Å; Q2-M10 HydrophobicContact CG-CG 4.15Å; Q2-M10 HydrophobicContact CG-SD 4.24Å; I7-M10 HydrophobicContact CB-CE 4.37Å; I7-M10 HydrophobicContact CG2-CE 3.3Å; G8-M10 PolarHBondContact O-N 3.43Å; M10-V14 HydrophobicContact SD-CB 4.38Å; M10-V14 HydrophobicContact SD-CG1 4.31Å; M10-P15 HydrophobicContact SD-CG 3.72Å
11S84.2Confident75.7Confident78 Ų7894.9 Ų94.955%0.54551%0.514SS..  trans-62.2143.2170.5174.90000110.8A13 V14 P15S11-A13 PolarHBondContact O-N 3.41Å; S11-A13 PolarHBondContact OG-N 2.79Å; S11-V14 WeakPolarHBondContact O-CB 3.04Å; S11-V14 PolarHBondContact O-N 3.32Å; S11-P15 WeakPolarHBondContact O-CD 3.38Å
12N80.3Confident74.9Confident110 Ų11097.3 Ų97.359%0.58853%0.527SS*.THydrogen-bonded Turntrans-53.9-24.1173.1-70.3-22.1000112.9Q2 V14 I16Q2-N12 PolarHBondContact NE2-OD1 3.19Å; N12-V14 VanDerWaalsContact C-N 3.28Å; N12-V14 PolarHBondContact O-N 2.99Å; N12-I16 VanDerWaalsContact O-CD1 3.3Å; N12-I16 WeakPolarHBondContact O-CD1 3.49Å; N12-I16 VanDerWaalsContact O-CG1 3.31Å; N12-I16 WeakPolarHBondContact O-CG1 2.92Å
13A79.4Confident73.8Confident53 Ų5399.1 Ų99.144%0.43854%0.536SS..Hα-helixtrans-64.7-29.8175.900000113.2S11 I16 V17S11-A13 PolarHBondContact O-N 3.41Å; S11-A13 PolarHBondContact OG-N 2.79Å; A13-I16 PolarHBondContact O-N 3.02Å; A13-V17 WeakPolarHBondContact O-CG2 3.38Å; A13-V17 PolarHBondContact O-N 3.04Å
14V81.2Confident72.4Confident51 Ų5198.7 Ų98.731%0.30952%0.524SS..Hα-helixtrans-66.5-55.2-173.1175.50000111.6M1 M10 S11 N12 I16 V17 F18M1-V14 HydrophobicContact CE-CG1 3.71Å; M10-V14 HydrophobicContact SD-CB 4.38Å; M10-V14 HydrophobicContact SD-CG1 4.31Å; S11-V14 WeakPolarHBondContact O-CB 3.04Å; S11-V14 PolarHBondContact O-N 3.32Å; N12-V14 VanDerWaalsContact C-N 3.28Å; N12-V14 PolarHBondContact O-N 2.99Å; V14-I16 PolarHBondContact O-N 2.63Å; V14-V17 PolarHBondContact O-N 3.26Å; V14-V17 VanDerWaalsContact O-N 3.12Å; V14-F18 HydrophobicContact CG1-CD2 3.78Å; V14-F18 HydrophobicContact CG1-CE2 4.07Å; V14-F18 WeakPolarHBondContact O-CD2 3.14Å; V14-F18 PolarHBondContact O-N 3.37Å
15P77.9Confident71Confident17 Ų17101.7 Ų101.711%0.1153%0.531CS..Hα-helixtrans-59.2-33.4175.7-23.734000113.4M1 Q2 M10 S11 F18 G19 Y20M1-P15 HydrophobicContact CB-CG 4.23Å; M1-P15 HydrophobicContact SD-CB 4.21Å; M1-P15 HydrophobicContact SD-CG 4.19Å; Q2-P15 HydrophobicContact CG-CG 4.25Å; M10-P15 HydrophobicContact SD-CG 3.72Å; S11-P15 WeakPolarHBondContact O-CD 3.38Å; P15-F18 PolarHBondContact O-N 2.81Å; P15-G19 PolarHBondContact O-N 3.27Å; P15-Y20 PolarHBondContact O-N 3.14Å; P15-Y20 VanDerWaalsContact O-N 3.14Å
16I75.2Confident69.7Low80 Ų80101.6 Ų101.641%0.4153%0.528SS..Hα-helixtrans-63.7-42.1177.5-66.1171000111N12 A13 V14 K34N12-I16 VanDerWaalsContact O-CD1 3.3Å; N12-I16 WeakPolarHBondContact O-CD1 3.49Å; N12-I16 VanDerWaalsContact O-CG1 3.31Å; N12-I16 WeakPolarHBondContact O-CG1 2.92Å; A13-I16 PolarHBondContact O-N 3.02Å; V14-I16 PolarHBondContact O-N 2.63Å; I16-K34 HydrophobicContact CG2-CD 4.41Å; I16-K34 WeakPolarHBondContact O-CD 3.47Å
17V75.4Confident68.5Low65 Ų65101 Ų10139%0.39452%0.524SS..Hα-helixtrans-73-40.9177173.30000111.3A13 V14 K34 L35A13-V17 WeakPolarHBondContact O-CG2 3.38Å; A13-V17 PolarHBondContact O-N 3.04Å; V14-V17 PolarHBondContact O-N 3.26Å; V14-V17 VanDerWaalsContact O-N 3.12Å; V17-K34 CarbonylContact O-C 3.6Å; V17-K34 WeakPolarHBondContact O-CB 3.04Å; V17-L35 PolarHBondContact O-N 2.94Å
18F76.7Confident67.6Low107 Ų107103 Ų10347%0.46953%0.531SS..Hα-helixtrans-73.3-53.5-176.2-91.9-89.8000113.5M1 V14 P15 L35 L36M1-F18 HydrophobicContact SD-CB 4.35Å; V14-F18 HydrophobicContact CG1-CD2 3.78Å; V14-F18 HydrophobicContact CG1-CE2 4.07Å; V14-F18 WeakPolarHBondContact O-CD2 3.14Å; V14-F18 PolarHBondContact O-N 3.37Å; P15-F18 PolarHBondContact O-N 2.81Å; F18-L35 HydrophobicContact CD1-CD2 4.15Å; F18-L35 HydrophobicContact CE1-CD2 3.87Å; F18-L35 HydrophobicContact CZ-CD2 4.11Å; F18-L36 WeakPolarHBondContact O-CB 3.14Å; F18-L36 PolarHBondContact O-N 2.69Å
19G65.2Low66.6Low49 Ų49110.1 Ų110.151%0.50555%0.546SS..THydrogen-bonded Turntrans-141.1-5.8-159.200000117P15 R21P15-G19 PolarHBondContact O-N 3.27Å; G19-R21 PolarHBondContact O-N 2.69Å
20Y58.7Low65.5Low190 Ų190108.9 Ų108.975%0.74554%0.54SS*.  trans-92.291.2-174.8-115.3-89.4000112.9P15P15-Y20 PolarHBondContact O-N 3.14Å; P15-Y20 VanDerWaalsContact O-N 3.14Å
21R54.1Low64.2Low41 Ų41109 Ų10916%0.15554%0.541CS..  trans-153.763.9167.2-159.2-157.5-174.5-1561.4113.6G19 Y25 I31 P33 E37G19-R21 PolarHBondContact O-N 2.69Å; R21-Y25 VanDerWaalsContact CZ-CD2 3.48Å; R21-I31 PolarHBondContact NE-O 2.89Å; R21-I31 PolarHBondContact NH2-O 3.44Å; R21-P33 VanDerWaalsContact CZ-N 3.26Å; R21-P33 VanDerWaalsContact NH1-CD 3.28Å; R21-E37 WeakPolarHBondContact CB-OE1 3.5Å; R21-E37 WeakPolarHBondContact CD-OE2 3.36Å; R21-E37 IonicContact CZ-OE2 3.76Å; R21-E37 IonicContact NE-OE2 3.08Å; R21-E37 IonicContact NH1-OE2 2.84Å; R21-E37 PolarHBondContact NH1-OE2 3.44Å
22I52.5Low62.9Low144 Ų144112.2 Ų112.274%0.73855%0.546SS*.SBendtrans-113.5-31.9166.2-71170000112.9
23Q50.7Low61.7Low159 Ų159108.7 Ų108.774%0.74353%0.529SS*.SBendtrans-92.1-36.1-178-12976.512.100115
24L49.7Very low61.2Low106 Ų106111.4 Ų111.456%0.55553%0.53SS*.G310 helixtrans-83.7-18.1-169.9-70.7175.3000114.9K26 L27 Q28 I31L24-K26 PolarHBondContact O-N 2.92Å; L24-L27 PolarHBondContact O-N 3.12Å; L24-Q28 PolarHBondContact O-N 2.99Å; L24-I31 HydrophobicContact CB-CD1 4.31Å
25Y49.7Very low61.3Low130 Ų130112.8 Ų112.851%0.5154%0.536SS..G310 helixtrans-63.6-25.6178.8-165.7-119.6000112.6R21R21-Y25 VanDerWaalsContact CZ-CD2 3.48Å
26K53.2Low61.6Low195 Ų195116.1 Ų116.185%0.84855%0.552SS**G310 helixtrans-72.4-26.1173.8-70.9-174177.3179.70113.7L24L24-K26 PolarHBondContact O-N 2.92Å
27L56.2Low61.9Low147 Ų147115.4 Ų115.477%0.7755%0.547SS*.THydrogen-bonded Turntrans-97-26.2-175.6-111.579.2000114.1L24L24-L27 PolarHBondContact O-N 3.12Å
28Q56.4Low62.3Low118 Ų118116 Ų11655%0.55155%0.545SS*.  trans-138.7102.7-178.1-74-178.7-17.900110.5L24 K30 I31L24-Q28 PolarHBondContact O-N 2.99Å; Q28-K30 PolarHBondContact O-N 3.36Å; Q28-I31 HydrophobicContact CB-CD1 4.29Å; Q28-I31 HydrophobicContact CB-CG1 4.37Å; Q28-I31 PolarHBondContact O-N 3.22Å
29K58.7Low63Low207 Ų207114 Ų11490%0.954%0.537SS*.THydrogen-bonded Turntrans-59.914176.3-66.5-172.4176.7-1780115.4
30K58.4Low64.2Low197 Ų197115.6 Ų115.686%0.85753%0.533SS*.THydrogen-bonded Turntrans-122.3-7.2-174.2-76.2-172.1176.1-179.60115.3Q28 K32Q28-K30 PolarHBondContact O-N 3.36Å; K30-K32 PolarHBondContact O-N 2.94Å
31I54.5Low65.6Low44 Ų44111 Ų11123%0.22652%0.518CS..  trans-84.9112179-60.2176.2000107.9R21 L24 Q28R21-I31 PolarHBondContact NE-O 2.89Å; R21-I31 PolarHBondContact NH2-O 3.44Å; L24-I31 HydrophobicContact CB-CD1 4.31Å; Q28-I31 HydrophobicContact CB-CD1 4.29Å; Q28-I31 HydrophobicContact CB-CG1 4.37Å; Q28-I31 PolarHBondContact O-N 3.22Å
32K56.5Low67.4Low147 Ų147111.4 Ų111.464%0.63952%0.522SS*.  trans-69.8154.8174.2-76.2-173.6178.9-175.80111.8K30 K34K30-K32 PolarHBondContact O-N 2.94Å; K32-K34 PolarHBondContact O-N 3.36Å
33P55Low69.4Low35 Ų35105.1 Ų105.123%0.22749%0.49CS..  trans-52.3122.1167.722.2-32.3000109.7R21 E37 H38R21-P33 VanDerWaalsContact CZ-N 3.26Å; R21-P33 VanDerWaalsContact NH1-CD 3.28Å; P33-E37 WeakPolarHBondContact CA-OE2 3.48Å; P33-E37 HydrophobicContact CB-CB 3.26Å; P33-E37 HydrophobicContact CB-CG 4.25Å; P33-E37 WeakPolarHBondContact CB-OE2 3.4Å; P33-H38 HydrophobicContact CG-CB 4.48Å
34K69.7Low71.4Confident110 Ų110101.5 Ų101.548%0.47848%0.475SS..  trans-81.1-36.5-165.9-78.3-170.9176.5179.40115I16 V17 K32I16-K34 HydrophobicContact CG2-CD 4.41Å; I16-K34 WeakPolarHBondContact O-CD 3.47Å; V17-K34 CarbonylContact O-C 3.6Å; V17-K34 WeakPolarHBondContact O-CB 3.04Å; K32-K34 PolarHBondContact O-N 3.36Å
35L82Confident73.5Confident80 Ų80100.3 Ų100.342%0.41947%0.469SS..SBendtrans-158-56.4169.8-17160.6000112.4V17 F18 E37 H38 F39V17-L35 PolarHBondContact O-N 2.94Å; F18-L35 HydrophobicContact CD1-CD2 4.15Å; F18-L35 HydrophobicContact CE1-CD2 3.87Å; F18-L35 HydrophobicContact CZ-CD2 4.11Å; L35-E37 PolarHBondContact O-N 3.25Å; L35-H38 PolarHBondContact O-N 3.3Å; L35-F39 WeakPolarHBondContact O-CB 3.44Å; L35-F39 PolarHBondContact O-N 2.86Å
36L85.2Confident75.6Confident87 Ų8794.9 Ų94.946%0.45545%0.448SS..Hα-helixtrans-61.7-44.4-175.5179.762000112.4F18 H38 F39 I40F18-L36 WeakPolarHBondContact O-CB 3.14Å; F18-L36 PolarHBondContact O-N 2.69Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.45Å; L36-F39 HydrophobicContact CD1-CD1 4.39Å; L36-F39 WeakPolarHBondContact O-CB 3.06Å; L36-F39 PolarHBondContact O-N 3.47Å; L36-I40 HydrophobicContact CD1-CD1 4.14Å; L36-I40 HydrophobicContact CD1-CG1 4.36Å; L36-I40 HydrophobicContact CG-CD1 3.93Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 3.07Å
37E81.9Confident77.6Confident66 Ų6685.7 Ų85.731%0.30841%0.408SS..Hα-helixtrans-63.8-39.4177.9-73.2177.8172.500112.4R21 P33 L35 I40 E41R21-E37 WeakPolarHBondContact CB-OE1 3.5Å; R21-E37 WeakPolarHBondContact CD-OE2 3.36Å; R21-E37 IonicContact CZ-OE2 3.76Å; R21-E37 IonicContact NE-OE2 3.08Å; R21-E37 IonicContact NH1-OE2 2.84Å; R21-E37 PolarHBondContact NH1-OE2 3.44Å; P33-E37 WeakPolarHBondContact CA-OE2 3.48Å; P33-E37 HydrophobicContact CB-CB 3.26Å; P33-E37 HydrophobicContact CB-CG 4.25Å; P33-E37 WeakPolarHBondContact CB-OE2 3.4Å; L35-E37 PolarHBondContact O-N 3.25Å; E37-I40 PolarHBondContact O-N 2.95Å; E37-E41 WeakPolarHBondContact O-CB 3.4Å; E37-E41 PolarHBondContact O-N 3.41Å
38H84.2Confident79.4Confident76 Ų7682 Ų8235%0.35239%0.389SS..Hα-helixtrans-68.4-40.1176.2-178.357000111P33 L35 L36 E41 Q42P33-H38 HydrophobicContact CG-CB 4.48Å; L35-H38 PolarHBondContact O-N 3.3Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.45Å; H38-E41 IonicContact ND1-OE2 4Å; H38-E41 PolarHBondContact ND1-OE2 2.88Å; H38-E41 WeakPolarHBondContact O-CB 3.23Å; H38-E41 PolarHBondContact O-N 2.93Å; H38-Q42 PolarHBondContact CE1-NE2 3.21Å; H38-Q42 WeakPolarHBondContact O-CG 3.3Å; H38-Q42 PolarHBondContact O-N 3.3Å
39F89.7Confident81.1Confident67 Ų6779.8 Ų79.829%0.29438%0.379SS..Hα-helixtrans-60.2-46.9174.1170.4-107.5000111.8L35 L36 E41 Q42 V43 L74 F76 L77L35-F39 WeakPolarHBondContact O-CB 3.44Å; L35-F39 PolarHBondContact O-N 2.86Å; L36-F39 HydrophobicContact CD1-CD1 4.39Å; L36-F39 WeakPolarHBondContact O-CB 3.06Å; L36-F39 PolarHBondContact O-N 3.47Å; F39-E41 VanDerWaalsContact C-N 3.32Å; F39-E41 PolarHBondContact O-N 2.72Å; F39-Q42 PolarHBondContact O-N 3.21Å; F39-V43 HydrophobicContact CD2-CG2 4.28Å; F39-V43 HydrophobicContact CE1-CG2 4.12Å; F39-V43 HydrophobicContact CE2-CG2 3.68Å; F39-V43 HydrophobicContact CZ-CG2 3.6Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.41Å; F39-L74 HydrophobicContact CE2-CD2 3.96Å; F39-F76 HydrophobicContact CD2-CZ 4.49Å; F39-F76 HydrophobicContact CE1-CZ 4.5Å; F39-F76 AromaticContact CE2-CE1 3.91Å; F39-F76 HydrophobicContact CE2-CE1 3.91Å; F39-F76 AromaticContact CE2-CZ 3.45Å; F39-F76 HydrophobicContact CE2-CZ 3.45Å; F39-F76 VanDerWaalsContact CE2-CZ 3.45Å; F39-F76 HydrophobicContact CZ-CE1 4.27Å; F39-F76 HydrophobicContact CZ-CE2 4.24Å; F39-F76 AromaticContact CZ-CZ 3.45Å; F39-F76 HydrophobicContact CZ-CZ 3.45Å; F39-F76 VanDerWaalsContact CZ-CZ 3.45Å; F39-L77 HydrophobicContact CZ-CD1 4.05Å; F39-L77 HydrophobicContact CZ-CD2 4.13Å; F39-L77 HydrophobicContact CZ-CG 4.48Å
40I90.6Very high82.7Confident81 Ų8170 Ų7042%0.41534%0.336SS..Hα-helixtrans-59.8-44175.7-68.9165.9000110.6L36 E37 Q42 V43 L44L36-I40 HydrophobicContact CD1-CD1 4.14Å; L36-I40 HydrophobicContact CD1-CG1 4.36Å; L36-I40 HydrophobicContact CG-CD1 3.93Å; L36-I40 VanDerWaalsContact O-CG1 3.26Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 3.07Å; E37-I40 PolarHBondContact O-N 2.95Å; I40-Q42 PolarHBondContact O-N 2.87Å; I40-V43 PolarHBondContact O-N 3.36Å; I40-L44 HydrophobicContact CG2-CD1 3.89Å; I40-L44 HydrophobicContact CG2-CG 4.3Å; I40-L44 WeakPolarHBondContact O-CB 3.32Å; I40-L44 VanDerWaalsContact O-CG 3.32Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 3.26Å
41E89.8Confident84.3Confident95 Ų9560.6 Ų60.644%0.44430%0.295SS..Hα-helixtrans-57.4-47.8175.5177.8-179.1-146.300111.7E37 H38 F39 V43 L44 L45E37-E41 WeakPolarHBondContact O-CB 3.4Å; E37-E41 PolarHBondContact O-N 3.41Å; H38-E41 IonicContact ND1-OE2 4Å; H38-E41 PolarHBondContact ND1-OE2 2.88Å; H38-E41 WeakPolarHBondContact O-CB 3.23Å; H38-E41 PolarHBondContact O-N 2.93Å; F39-E41 VanDerWaalsContact C-N 3.32Å; F39-E41 PolarHBondContact O-N 2.72Å; E41-V43 PolarHBondContact O-N 3.4Å; E41-L44 PolarHBondContact O-N 3.39Å; E41-L45 HydrophobicContact CG-CD1 4.05Å; E41-L45 HydrophobicContact CG-CG 4.47Å; E41-L45 VanDerWaalsContact O-CG 3.3Å; E41-L45 WeakPolarHBondContact O-CG 3.32Å; E41-L45 PolarHBondContact O-N 3.31Å
42Q90.8Very high86Confident49 Ų4962.6 Ų62.623%0.22931%0.306CS..Hα-helixtrans-61-44.3177.4-67.4-53.1-59.800112.1H38 F39 I40 L44 L45 R46H38-Q42 PolarHBondContact CE1-NE2 3.21Å; H38-Q42 WeakPolarHBondContact O-CG 3.3Å; H38-Q42 PolarHBondContact O-N 3.3Å; F39-Q42 PolarHBondContact O-N 3.21Å; I40-Q42 PolarHBondContact O-N 2.87Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.43Å; Q42-L45 PolarHBondContact O-N 3.49Å; Q42-R46 WeakPolarHBondContact O-CG 3.26Å; Q42-R46 PolarHBondContact O-N 3.09Å; Q42-R46 VanDerWaalsContact O-N 3.12Å
43V93.7Very high87.6Confident12 Ų1258 Ų587%0.07329%0.293CS..Hα-helixtrans-60.1-44176.61730000111F39 I40 E41 T47 M64 L74 L77F39-V43 HydrophobicContact CD2-CG2 4.28Å; F39-V43 HydrophobicContact CE1-CG2 4.12Å; F39-V43 HydrophobicContact CE2-CG2 3.68Å; F39-V43 HydrophobicContact CZ-CG2 3.6Å; F39-V43 WeakPolarHBondContact O-CG2 3.44Å; F39-V43 PolarHBondContact O-N 3.41Å; I40-V43 PolarHBondContact O-N 3.36Å; E41-V43 PolarHBondContact O-N 3.4Å; V43-T47 VanDerWaalsContact O-CB 3.32Å; V43-T47 WeakPolarHBondContact O-CB 3.4Å; V43-T47 PolarHBondContact O-N 3.39Å; V43-T47 PolarHBondContact O-OG1 2.89Å; V43-M64 HydrophobicContact CG1-CE 3.71Å; V43-L74 HydrophobicContact CG2-CD1 4.31Å; V43-L74 HydrophobicContact CG2-CD2 3.74Å; V43-L77 HydrophobicContact CG2-CD1 4.09Å
44L94.3Very high89.2Confident83 Ų8357 Ų5744%0.43529%0.285SS..Hα-helixtrans-67.4-41.8179.9-71.9176.2000112.2I40 E41 Q42 R46 T47 D48 L59I40-L44 HydrophobicContact CG2-CD1 3.89Å; I40-L44 HydrophobicContact CG2-CG 4.3Å; I40-L44 WeakPolarHBondContact O-CB 3.32Å; I40-L44 VanDerWaalsContact O-CG 3.32Å; I40-L44 WeakPolarHBondContact O-CG 3.47Å; I40-L44 PolarHBondContact O-N 3.26Å; E41-L44 PolarHBondContact O-N 3.39Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3.43Å; L44-R46 PolarHBondContact O-N 3.47Å; L44-T47 PolarHBondContact O-N 3.25Å; L44-D48 VanDerWaalsContact O-CB 3.32Å; L44-D48 WeakPolarHBondContact O-CB 3.37Å; L44-D48 PolarHBondContact O-N 2.92Å; L44-L59 HydrophobicContact CD2-CD1 4.13Å
45L93.8Very high90.2Very high81 Ų8157.2 Ų57.242%0.42430%0.301SS..Hα-helixtrans-58.5-47.6176.4-73.3170.5000111.5E41 Q42 T47 D48 E49E41-L45 HydrophobicContact CG-CD1 4.05Å; E41-L45 HydrophobicContact CG-CG 4.47Å; E41-L45 VanDerWaalsContact O-CG 3.3Å; E41-L45 WeakPolarHBondContact O-CG 3.32Å; E41-L45 PolarHBondContact O-N 3.31Å; Q42-L45 PolarHBondContact O-N 3.49Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-T47 PolarHBondContact O-N 2.99Å; L45-D48 PolarHBondContact O-N 3.24Å; L45-E49 WeakPolarHBondContact O-CG 3.39Å; L45-E49 PolarHBondContact O-N 2.83Å
46R94.1Very high90.6Very high16 Ų1655.8 Ų55.86%0.0630%0.295CS..Hα-helixtrans-65.2-38176.8-64-52.4-164.7-152.70.7113.1Q42 L44 D48 E49 V50 A67 E71 L74 T101Q42-R46 WeakPolarHBondContact O-CG 3.26Å; Q42-R46 PolarHBondContact O-N 3.09Å; Q42-R46 VanDerWaalsContact O-N 3.12Å; L44-R46 PolarHBondContact O-N 3.47Å; R46-D48 VanDerWaalsContact C-N 3.32Å; R46-E49 VanDerWaalsContact CD-OE2 3.22Å; R46-E49 WeakPolarHBondContact CD-OE2 3.32Å; R46-E49 IonicContact CZ-OE2 3.7Å; R46-E49 IonicContact NE-OE2 3.22Å; R46-E49 IonicContact NH1-OE1 2.78Å; R46-E49 PolarHBondContact NH1-OE1 3.25Å; R46-E49 VanDerWaalsContact NH1-OE1 3.13Å; R46-E49 IonicContact NH1-OE2 2.69Å; R46-E49 PolarHBondContact NH1-OE2 3.12Å; R46-V50 WeakPolarHBondContact O-CG2 3.4Å; R46-V50 PolarHBondContact O-N 2.82Å; R46-A67 HydrophobicContact CB-CB 4.01Å; R46-E71 HydrophobicContact CG-CB 4.45Å; R46-E71 HydrophobicContact CG-CG 4.25Å; R46-E71 IonicContact CZ-OE2 3.57Å; R46-E71 IonicContact NE-OE2 2.66Å; R46-E71 PolarHBondContact NE-OE2 3.04Å; R46-E71 IonicContact NH2-OE2 3.41Å; R46-E71 PolarHBondContact NH2-OE2 2.98Å; R46-L74 HydrophobicContact CB-CD1 4.09Å; R46-L74 HydrophobicContact CG-CD1 4.07Å; R46-T101 PolarHBondContact NH1-OG1 3.46Å; R46-T101 VanDerWaalsContact NH1-OG1 3.12Å; R46-T101 PolarHBondContact NH2-OG1 3.27Å
47T93.6Very high90.7Very high1 Ų163.3 Ų63.31%0.00632%0.317CS..Hα-helixtrans-66.4-38176.4-57.50000111.3V43 L44 L45 V50 A51 L59 H63 M64V43-T47 VanDerWaalsContact O-CB 3.32Å; V43-T47 WeakPolarHBondContact O-CB 3.4Å; V43-T47 PolarHBondContact O-N 3.39Å; V43-T47 PolarHBondContact O-OG1 2.89Å; L44-T47 PolarHBondContact O-N 3.25Å; L45-T47 VanDerWaalsContact C-N 3.34Å; L45-T47 PolarHBondContact O-N 2.99Å; T47-V50 PolarHBondContact O-N 3.46Å; T47-A51 PolarHBondContact O-N 2.83Å; T47-L59 HydrophobicContact CG2-CB 4.37Å; T47-L59 HydrophobicContact CG2-CD1 4.25Å; T47-L59 HydrophobicContact CG2-CD2 4.05Å; T47-L59 HydrophobicContact CG2-CG 4.45Å; T47-H63 HydrophobicContact CG2-CB 3.81Å; T47-M64 HydrophobicContact CG2-CB 4.25Å; T47-M64 HydrophobicContact CG2-CG 3.43Å; T47-M64 VanDerWaalsContact CG2-CG 3.43Å; T47-M64 WeakPolarHBondContact OG1-CG 3.4Å
48D94.2Very high91.1Very high71 Ų7165.1 Ų65.138%0.3833%0.333SS..Hα-helixtrans-68.1-43.2177.1-168.163000111.9L44 L45 R46 V50 A51 N52 L59L44-D48 VanDerWaalsContact O-CB 3.32Å; L44-D48 WeakPolarHBondContact O-CB 3.37Å; L44-D48 PolarHBondContact O-N 2.92Å; L45-D48 PolarHBondContact O-N 3.24Å; R46-D48 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.13Å; D48-A51 PolarHBondContact O-N 3.02Å; D48-A51 VanDerWaalsContact O-N 3.14Å; D48-N52 VanDerWaalsContact O-CB 3.28Å; D48-N52 WeakPolarHBondContact O-CB 3.47Å; D48-N52 VanDerWaalsContact O-CG 3.26Å; D48-N52 PolarHBondContact O-N 3.4Å; D48-N52 PolarHBondContact O-ND2 2.82Å; D48-N52 VanDerWaalsContact O-ND2 3.09Å; D48-N52 PolarHBondContact OD2-ND2 3.14Å; D48-L59 HydrophobicContact CB-CD2 4.49Å
49E93.2Very high91.4Very high71 Ų7164.9 Ų64.933%0.33233%0.334SS..Hα-helixtrans-52.9-43.9171.4-72.8168.7-179.400111.4L45 R46 S53 L98L45-E49 WeakPolarHBondContact O-CG 3.39Å; L45-E49 PolarHBondContact O-N 2.83Å; R46-E49 VanDerWaalsContact CD-OE2 3.22Å; R46-E49 WeakPolarHBondContact CD-OE2 3.32Å; R46-E49 IonicContact CZ-OE2 3.7Å; R46-E49 IonicContact NE-OE2 3.22Å; R46-E49 IonicContact NH1-OE1 2.78Å; R46-E49 PolarHBondContact NH1-OE1 3.25Å; R46-E49 VanDerWaalsContact NH1-OE1 3.13Å; R46-E49 IonicContact NH1-OE2 2.69Å; R46-E49 PolarHBondContact NH1-OE2 3.12Å; E49-S53 PolarHBondContact O-N 2.92Å; E49-L98 HydrophobicContact CB-CD1 4.44Å; E49-L98 HydrophobicContact CB-CD2 4.41Å; E49-L98 WeakPolarHBondContact OE2-CD1 3.31Å; E49-L98 WeakPolarHBondContact OE2-CD2 3.28Å
50V92.3Very high91.5Very high0 Ų063.8 Ų63.80%033%0.334CS..Hα-helixtrans-66.2-48.4175.5171.50000112R46 T47 D48 N52 S53 F54 H63 L66 A67R46-V50 WeakPolarHBondContact O-CG2 3.4Å; R46-V50 PolarHBondContact O-N 2.82Å; T47-V50 PolarHBondContact O-N 3.46Å; D48-V50 PolarHBondContact O-N 3.13Å; V50-N52 VanDerWaalsContact C-N 3.33Å; V50-N52 PolarHBondContact O-N 2.69Å; V50-S53 WeakPolarHBondContact O-CB 3.44Å; V50-S53 PolarHBondContact O-N 3.23Å; V50-S53 VanDerWaalsContact O-N 3.16Å; V50-S53 PolarHBondContact O-OG 3.12Å; V50-F54 HydrophobicContact CG1-CD2 4.1Å; V50-F54 HydrophobicContact CG1-CE2 3.56Å; V50-F54 WeakPolarHBondContact O-CD2 3.33Å; V50-F54 PolarHBondContact O-N 2.85Å; V50-H63 HydrophobicContact CG1-CB 4.09Å; V50-L66 HydrophobicContact CG1-CB 4.07Å; V50-L66 HydrophobicContact CG1-CD2 3.66Å; V50-L66 HydrophobicContact CG1-CG 3.99Å; V50-L66 HydrophobicContact CG2-CG 4.46Å; V50-A67 HydrophobicContact CG2-CB 3.91Å
51A90.9Very high91.5Very high0 Ų063.9 Ų63.90%034%0.339CS..Hα-helixtrans-62.1-41.1-179.800000112.2T47 D48 S53 F54 S55 V56 L59T47-A51 PolarHBondContact O-N 2.83Å; D48-A51 PolarHBondContact O-N 3.02Å; D48-A51 VanDerWaalsContact O-N 3.14Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 3.13Å; A51-F54 CarbonylContact O-C 3.52Å; A51-F54 WeakPolarHBondContact O-CA 3.37Å; A51-F54 PolarHBondContact O-N 3.3Å; A51-S55 PolarHBondContact O-N 3.37Å; A51-V56 CarbonylContact C-O 3.41Å; A51-V56 PolarHBondContact O-N 2.98Å; A51-L59 HydrophobicContact CB-CD2 3.42Å; A51-L59 VanDerWaalsContact CB-CD2 3.42Å
52N91.4Very high91.6Very high87 Ų8759.9 Ų59.947%0.46532%0.322SS..Hα-helixtrans-62.6-37174.8-73.3-37000111.7D48 V50 F54 S55D48-N52 VanDerWaalsContact O-CB 3.28Å; D48-N52 WeakPolarHBondContact O-CB 3.47Å; D48-N52 VanDerWaalsContact O-CG 3.26Å; D48-N52 PolarHBondContact O-N 3.4Å; D48-N52 PolarHBondContact O-ND2 2.82Å; D48-N52 VanDerWaalsContact O-ND2 3.09Å; D48-N52 PolarHBondContact OD2-ND2 3.14Å; V50-N52 VanDerWaalsContact C-N 3.33Å; V50-N52 PolarHBondContact O-N 2.69Å; N52-F54 PolarHBondContact O-N 3.43Å; N52-S55 PolarHBondContact O-N 3.22Å
53S90.5Very high91.7Very high51 Ų5158 Ų5836%0.35731%0.313SS..Hα-helixtrans-62-22.917479.80000113.4E49 V50 A51 I95E49-S53 PolarHBondContact O-N 2.92Å; V50-S53 WeakPolarHBondContact O-CB 3.44Å; V50-S53 PolarHBondContact O-N 3.23Å; V50-S53 VanDerWaalsContact O-N 3.16Å; V50-S53 PolarHBondContact O-OG 3.12Å; A51-S53 VanDerWaalsContact C-N 3.31Å; A51-S53 PolarHBondContact O-N 3.13Å; S53-I95 VanDerWaalsContact OG-CD1 3.27Å; S53-I95 WeakPolarHBondContact OG-CD1 3.33Å
54F88.4Confident91.7Very high12 Ų1260.1 Ų60.15%0.05332%0.323CS..THydrogen-bonded Turntrans-96.73.1173.1-61-58.1000113.8V50 A51 N52 V56 H63 L66 R91 I95V50-F54 HydrophobicContact CG1-CD2 4.1Å; V50-F54 HydrophobicContact CG1-CE2 3.56Å; V50-F54 WeakPolarHBondContact O-CD2 3.33Å; V50-F54 PolarHBondContact O-N 2.85Å; A51-F54 CarbonylContact O-C 3.52Å; A51-F54 WeakPolarHBondContact O-CA 3.37Å; A51-F54 PolarHBondContact O-N 3.3Å; N52-F54 PolarHBondContact O-N 3.43Å; F54-V56 HydrophobicContact CB-CG2 3.86Å; F54-V56 WeakPolarHBondContact O-CG2 3.43Å; F54-V56 PolarHBondContact O-N 3.27Å; F54-H63 AromaticContact CD2-CD2 3.76Å; F54-H63 AromaticContact CD2-NE2 3.79Å; F54-H63 AromaticContact CE2-CD2 3.93Å; F54-L66 HydrophobicContact CE2-CD2 3.64Å; F54-L66 HydrophobicContact CZ-CD2 3.47Å; F54-L66 VanDerWaalsContact CZ-CD2 3.47Å; F54-R91 HydrophobicContact CD1-CB 3.79Å; F54-R91 VanDerWaalsContact CD1-CD 3.44Å; F54-R91 HydrophobicContact CD1-CG 4.29Å; F54-R91 HydrophobicContact CE1-CB 3.37Å; F54-R91 HydrophobicContact CE1-CG 4.32Å; F54-R91 PolarHBondContact O-NH1 3.27Å; F54-I95 HydrophobicContact CD1-CD1 4.09Å; F54-I95 HydrophobicContact CE1-CD1 3.34Å; F54-I95 HydrophobicContact CE2-CD1 4.22Å; F54-I95 HydrophobicContact CZ-CD1 3.44Å; F54-I95 VanDerWaalsContact CZ-CD1 3.44Å
55S90.5Very high91.7Very high116 Ų11657.4 Ų57.481%0.81131%0.308SS*.THydrogen-bonded Turntrans5533-172.5-56.70000113.2A51 N52A51-S55 PolarHBondContact O-N 3.37Å; N52-S55 PolarHBondContact O-N 3.22Å
56V89.4Confident91.6Very high49 Ų4953.9 Ų53.930%0.29729%0.29SS..  trans-104.9131.8179.3-176.80000109.2A51 F54 T58A51-V56 CarbonylContact C-O 3.41Å; A51-V56 PolarHBondContact O-N 2.98Å; F54-V56 HydrophobicContact CB-CG2 3.86Å; F54-V56 WeakPolarHBondContact O-CG2 3.43Å; F54-V56 PolarHBondContact O-N 3.27Å; V56-T58 WeakPolarHBondContact CG1-O 3.22Å
57R88.4Confident91.6Very high245 Ų24553.2 Ų53.293%0.92529%0.287SS*.SBendtrans-86-15178.3-62.8-174.9179.8-167-0.5113.9
58T89.7Confident91.6Very high105 Ų10553.2 Ų53.264%0.64429%0.287SS*.SBendtrans-101.2120.3-178.4-53.30000109.9V56 H63V56-T58 WeakPolarHBondContact CG1-O 3.22Å; T58-H63 PolarHBondContact O-CE1 3.06Å; T58-H63 VanDerWaalsContact O-CE1 3.3Å; T58-H63 PolarHBondContact O-ND1 2.87Å
59L91Very high91.5Very high70 Ų7052.9 Ų52.937%0.36628%0.284SS..  trans-70.2138.6171.5-57.9-174.1000110L44 T47 D48 A51L44-L59 HydrophobicContact CD2-CD1 4.13Å; T47-L59 HydrophobicContact CG2-CB 4.37Å; T47-L59 HydrophobicContact CG2-CD1 4.25Å; T47-L59 HydrophobicContact CG2-CD2 4.05Å; T47-L59 HydrophobicContact CG2-CG 4.45Å; D48-L59 HydrophobicContact CB-CD2 4.49Å; A51-L59 HydrophobicContact CB-CD2 3.42Å; A51-L59 VanDerWaalsContact CB-CD2 3.42Å
60S91Very high91.4Very high44 Ų4451.7 Ų51.731%0.30828%0.276SS..  trans-126159.1175.372.60000109.4A62 H63 M64S60-A62 PolarHBondContact O-N 2.69Å; S60-A62 PolarHBondContact OG-N 3.18Å; S60-H63 PolarHBondContact N-ND1 3.31Å; S60-H63 VanDerWaalsContact N-ND1 3.2Å; S60-H63 WeakPolarHBondContact O-CB 3.17Å; S60-H63 PolarHBondContact O-N 3.36Å; S60-H63 PolarHBondContact OG-N 2.84Å; S60-H63 PolarHBondContact OG-ND1 3.2Å; S60-M64 PolarHBondContact O-N 3.21Å
61T91.6Very high91.5Very high84 Ų8452.4 Ų52.452%0.51528%0.279SS..Hα-helixtrans-58.5-29.1174.554.50000111.9M64 K65T61-M64 WeakPolarHBondContact O-CB 3.25Å; T61-M64 PolarHBondContact O-N 3.48Å; T61-K65 PolarHBondContact O-N 3Å
62A91.4Very high91.6Very high11 Ų1156.7 Ų56.79%0.09131%0.307CS..Hα-helixtrans-74.9-27.8177.300000112.6S60 L66 I84 V87S60-A62 PolarHBondContact O-N 2.69Å; S60-A62 PolarHBondContact OG-N 3.18Å; A62-L66 PolarHBondContact O-N 3.07Å; A62-L66 VanDerWaalsContact O-N 3.14Å; A62-I84 HydrophobicContact CB-CG2 3.88Å; A62-V87 HydrophobicContact CB-CB 4.47Å; A62-V87 HydrophobicContact CB-CG2 3.14Å
63H92.6Very high91.6Very high9 Ų956.1 Ų56.14%0.04231%0.31CS..Hα-helixtrans-67.4-40.7166.3-58.2148.8000111.4T47 V50 F54 T58 S60 L66 A67T47-H63 HydrophobicContact CG2-CB 3.81Å; V50-H63 HydrophobicContact CG1-CB 4.09Å; F54-H63 AromaticContact CD2-CD2 3.76Å; F54-H63 AromaticContact CD2-NE2 3.79Å; F54-H63 AromaticContact CE2-CD2 3.93Å; T58-H63 PolarHBondContact O-CE1 3.06Å; T58-H63 VanDerWaalsContact O-CE1 3.3Å; T58-H63 PolarHBondContact O-ND1 2.87Å; S60-H63 PolarHBondContact N-ND1 3.31Å; S60-H63 VanDerWaalsContact N-ND1 3.2Å; S60-H63 WeakPolarHBondContact O-CB 3.17Å; S60-H63 PolarHBondContact O-N 3.36Å; S60-H63 PolarHBondContact OG-N 2.84Å; S60-H63 PolarHBondContact OG-ND1 3.2Å; H63-L66 PolarHBondContact O-N 3.18Å; H63-A67 WeakPolarHBondContact O-CB 3.3Å; H63-A67 PolarHBondContact O-N 3.5Å
64M93.5Very high91.8Very high57 Ų5754 Ų5428%0.28130%0.295SS..Hα-helixtrans-64.1-42177.1-63.9178.272.500111.5V43 T47 S60 T61 L66 A67 A68 F81V43-M64 HydrophobicContact CG1-CE 3.71Å; T47-M64 HydrophobicContact CG2-CB 4.25Å; T47-M64 HydrophobicContact CG2-CG 3.43Å; T47-M64 VanDerWaalsContact CG2-CG 3.43Å; T47-M64 WeakPolarHBondContact OG1-CG 3.4Å; S60-M64 PolarHBondContact O-N 3.21Å; T61-M64 WeakPolarHBondContact O-CB 3.25Å; T61-M64 PolarHBondContact O-N 3.48Å; M64-L66 PolarHBondContact O-N 2.93Å; M64-A67 PolarHBondContact O-N 3.29Å; M64-A68 WeakPolarHBondContact O-CB 3.46Å; M64-A68 PolarHBondContact O-N 3.17Å; M64-F81 HydrophobicContact CB-CE1 4.3Å; M64-F81 HydrophobicContact CB-CZ 3.98Å; M64-F81 HydrophobicContact CE-CZ 4.46Å
65K93.7Very high92.1Very high26 Ų2656.8 Ų56.811%0.11331%0.31CS..Hα-helixtrans-57.1-50174.1-177-176.1-176.3-172.90110.9T61 A67 A68 E69 F81 I84T61-K65 PolarHBondContact O-N 3Å; K65-A67 VanDerWaalsContact C-N 3.33Å; K65-A67 PolarHBondContact O-N 3.03Å; K65-A68 PolarHBondContact O-N 3.3Å; K65-E69 VanDerWaalsContact CE-OE1 3.31Å; K65-E69 WeakPolarHBondContact CE-OE1 3.4Å; K65-E69 WeakPolarHBondContact O-CG 3.48Å; K65-E69 PolarHBondContact O-N 3.23Å; K65-F81 HydrophobicContact CB-CB 4.06Å; K65-F81 HydrophobicContact CB-CD2 4.22Å; K65-F81 HydrophobicContact CB-CG 4.12Å; K65-F81 HydrophobicContact CD-CB 4.21Å; K65-F81 HydrophobicContact CG-CB 3.82Å; K65-F81 HydrophobicContact CG-CD2 4.41Å; K65-F81 HydrophobicContact CG-CG 4.33Å; K65-I84 HydrophobicContact CD-CB 4.25Å; K65-I84 HydrophobicContact CD-CG2 4.37Å; K65-I84 PolarHBondContact NZ-O 3.04Å
66L92.5Very high92.3Very high7 Ų757.5 Ų57.54%0.03730%0.299CS..Hα-helixtrans-66.3-33.9179.4-178.860.1000112.6V50 F54 A62 H63 M64 E69 R70 R92V50-L66 HydrophobicContact CG1-CB 4.07Å; V50-L66 HydrophobicContact CG1-CD2 3.66Å; V50-L66 HydrophobicContact CG1-CG 3.99Å; V50-L66 HydrophobicContact CG2-CG 4.46Å; F54-L66 HydrophobicContact CE2-CD2 3.64Å; F54-L66 HydrophobicContact CZ-CD2 3.47Å; F54-L66 VanDerWaalsContact CZ-CD2 3.47Å; A62-L66 PolarHBondContact O-N 3.07Å; A62-L66 VanDerWaalsContact O-N 3.14Å; H63-L66 PolarHBondContact O-N 3.18Å; M64-L66 PolarHBondContact O-N 2.93Å; L66-E69 PolarHBondContact O-N 2.88Å; L66-R70 WeakPolarHBondContact O-CG 3.46Å; L66-R70 PolarHBondContact O-N 3.28Å; L66-R92 HydrophobicContact CD1-CG 4.31Å; L66-R92 HydrophobicContact CD2-CG 4.43Å
67A93.5Very high92.5Very high1 Ų156 Ų561%0.00829%0.289CS..Hα-helixtrans-63.9-44172.300000111.3R46 V50 H63 M64 K65 E69 R70 E71R46-A67 HydrophobicContact CB-CB 4.01Å; V50-A67 HydrophobicContact CG2-CB 3.91Å; H63-A67 WeakPolarHBondContact O-CB 3.3Å; H63-A67 PolarHBondContact O-N 3.5Å; M64-A67 PolarHBondContact O-N 3.29Å; K65-A67 VanDerWaalsContact C-N 3.33Å; K65-A67 PolarHBondContact O-N 3.03Å; A67-E69 VanDerWaalsContact C-N 3.33Å; A67-E69 PolarHBondContact O-N 2.9Å; A67-R70 PolarHBondContact O-N 3.12Å; A67-E71 WeakPolarHBondContact O-CB 3.4Å; A67-E71 PolarHBondContact O-N 2.93Å
68A93.9Very high92.7Very high1 Ų147 Ų471%0.00826%0.259CS..Hα-helixtrans-65.8-33176.400000113.2M64 K65 R70 L74 N75 L77 L78 F81M64-A68 WeakPolarHBondContact O-CB 3.46Å; M64-A68 PolarHBondContact O-N 3.17Å; K65-A68 PolarHBondContact O-N 3.3Å; A68-R70 VanDerWaalsContact C-N 3.3Å; A68-L74 HydrophobicContact CB-CB 4.13Å; A68-N75 PolarHBondContact O-OD1 3.03Å; A68-L77 HydrophobicContact CB-CB 4.47Å; A68-L78 HydrophobicContact CB-CD2 3.93Å; A68-F81 HydrophobicContact CB-CD2 4.12Å; A68-F81 HydrophobicContact CB-CE2 3.72Å
69E93.1Very high93Very high65 Ų6546.8 Ų46.830%0.30426%0.259SS..Hα-helixtrans-70.1-26.3174.2-71.6168.6-172.500113K65 L66 A67 L78 R92K65-E69 VanDerWaalsContact CE-OE1 3.31Å; K65-E69 WeakPolarHBondContact CE-OE1 3.4Å; K65-E69 WeakPolarHBondContact O-CG 3.48Å; K65-E69 PolarHBondContact O-N 3.23Å; L66-E69 PolarHBondContact O-N 2.88Å; A67-E69 VanDerWaalsContact C-N 3.33Å; A67-E69 PolarHBondContact O-N 2.9Å; E69-L78 HydrophobicContact CB-CD2 4.45Å; E69-L78 HydrophobicContact CG-CD2 3.59Å; E69-R92 IonicContact OE1-CZ 3.2Å; E69-R92 IonicContact OE1-NH1 3.76Å; E69-R92 IonicContact OE1-NH2 2.85Å; E69-R92 PolarHBondContact OE1-NH2 3.14Å; E69-R92 IonicContact OE2-CZ 3.23Å; E69-R92 IonicContact OE2-NH1 3.75Å; E69-R92 PolarHBondContact OE2-NH1 3.31Å; E69-R92 IonicContact OE2-NH2 3.98Å; E69-R92 PolarHBondContact OE2-NH2 2.78Å
70R91Very high93.1Very high46 Ų4649.9 Ų49.917%0.17428%0.275CS..Hα-helixtrans-91.8-30.3-178.7-74.8-179179.4166.85.8114.2L66 A67 A68 P72L66-R70 WeakPolarHBondContact O-CG 3.46Å; L66-R70 PolarHBondContact O-N 3.28Å; A67-R70 PolarHBondContact O-N 3.12Å; A68-R70 VanDerWaalsContact C-N 3.3Å; R70-P72 WeakPolarHBondContact O-CD 3.48Å
71E92.9Very high93.1Very high14 Ų1448.8 Ų48.87%0.06527%0.265CS..  trans-104107.3-174.9175.460.4-124.100109.3R46 A67 S73 L74 N75R46-E71 HydrophobicContact CG-CB 4.45Å; R46-E71 HydrophobicContact CG-CG 4.25Å; R46-E71 IonicContact CZ-OE2 3.57Å; R46-E71 IonicContact NE-OE2 2.66Å; R46-E71 PolarHBondContact NE-OE2 3.04Å; R46-E71 IonicContact NH2-OE2 3.41Å; R46-E71 PolarHBondContact NH2-OE2 2.98Å; A67-E71 WeakPolarHBondContact O-CB 3.4Å; A67-E71 PolarHBondContact O-N 2.93Å; E71-S73 VanDerWaalsContact CD-OG 3.26Å; E71-S73 WeakPolarHBondContact CG-OG 3.49Å; E71-S73 PolarHBondContact O-N 3.44Å; E71-S73 VanDerWaalsContact O-N 3.07Å; E71-S73 PolarHBondContact OE1-OG 2.61Å; E71-L74 HydrophobicContact CB-CB 4.33Å; E71-L74 HydrophobicContact CB-CD1 4.14Å; E71-L74 HydrophobicContact CB-CG 4.17Å; E71-L74 HydrophobicContact CG-CB 4.28Å; E71-L74 HydrophobicContact CG-CD1 4.01Å; E71-L74 HydrophobicContact CG-CG 3.74Å; E71-L74 PolarHBondContact O-N 3.39Å; E71-N75 PolarHBondContact O-N 3.44Å
72P93Very high92.9Very high91 Ų9149 Ų4959%0.59128%0.275SS*.G310 helixtrans-57.4-30.2-175.4-26.935.4000113.9R70 L74 N75R70-P72 WeakPolarHBondContact O-CD 3.48Å; P72-L74 PolarHBondContact O-N 3.16Å; P72-N75 WeakPolarHBondContact O-CB 3.44Å; P72-N75 PolarHBondContact O-N 3.18Å
73S92.9Very high92.7Very high75 Ų7552.1 Ų52.152%0.52431%0.309SS..G310 helixtrans-67.5-16.417763.70000113.7E71 F76E71-S73 VanDerWaalsContact CD-OG 3.26Å; E71-S73 WeakPolarHBondContact CG-OG 3.49Å; E71-S73 PolarHBondContact O-N 3.44Å; E71-S73 VanDerWaalsContact O-N 3.07Å; E71-S73 PolarHBondContact OE1-OG 2.61Å; S73-F76 WeakPolarHBondContact O-CD1 3.13Å; S73-F76 WeakPolarHBondContact O-CE1 3.38Å
74L93.9Very high92.3Very high7 Ų753.4 Ų53.44%0.03732%0.315CS..G310 helixtrans-105.3-2.4179.3-61.1-174.5000113.6F39 V43 R46 A68 E71 P72 F76 L77F39-L74 HydrophobicContact CE2-CD2 3.96Å; V43-L74 HydrophobicContact CG2-CD1 4.31Å; V43-L74 HydrophobicContact CG2-CD2 3.74Å; R46-L74 HydrophobicContact CB-CD1 4.09Å; R46-L74 HydrophobicContact CG-CD1 4.07Å; A68-L74 HydrophobicContact CB-CB 4.13Å; E71-L74 HydrophobicContact CB-CB 4.33Å; E71-L74 HydrophobicContact CB-CD1 4.14Å; E71-L74 HydrophobicContact CB-CG 4.17Å; E71-L74 HydrophobicContact CG-CB 4.28Å; E71-L74 HydrophobicContact CG-CD1 4.01Å; E71-L74 HydrophobicContact CG-CG 3.74Å; E71-L74 PolarHBondContact O-N 3.39Å; P72-L74 PolarHBondContact O-N 3.16Å; L74-F76 PolarHBondContact O-N 2.86Å; L74-L77 HydrophobicContact CB-CD1 4.36Å; L74-L77 HydrophobicContact CD2-CD1 4.3Å; L74-L77 VanDerWaalsContact O-CB 3.3Å; L74-L77 WeakPolarHBondContact O-CB 3.35Å; L74-L77 PolarHBondContact O-N 3.44Å
75N94.1Very high91.5Very high70 Ų7056.7 Ų56.737%0.37434%0.339SS..G310 helixtrans-55-28.8-178.1-83.9-15.7000113.9A68 E71 P72 L77 L78A68-N75 PolarHBondContact O-OD1 3.03Å; E71-N75 PolarHBondContact O-N 3.44Å; P72-N75 WeakPolarHBondContact O-CB 3.44Å; P72-N75 PolarHBondContact O-N 3.18Å; N75-L77 PolarHBondContact O-N 3.32Å; N75-L77 VanDerWaalsContact O-N 3.12Å; N75-L78 HydrophobicContact CB-CD1 4.23Å; N75-L78 VanDerWaalsContact O-CB 3.31Å; N75-L78 WeakPolarHBondContact O-CB 3.23Å; N75-L78 VanDerWaalsContact O-CG 3.23Å; N75-L78 WeakPolarHBondContact O-CG 3.4Å; N75-L78 PolarHBondContact O-N 3.47Å
76F94.8Very high90.3Very high130 Ų13060.3 Ų60.357%0.5736%0.356SS*.G310 helixtrans-63.7-15.6177.676.8-86.9000113.4F39 S73 L74 P79F39-F76 HydrophobicContact CD2-CZ 4.49Å; F39-F76 HydrophobicContact CE1-CZ 4.5Å; F39-F76 AromaticContact CE2-CE1 3.91Å; F39-F76 HydrophobicContact CE2-CE1 3.91Å; F39-F76 AromaticContact CE2-CZ 3.45Å; F39-F76 HydrophobicContact CE2-CZ 3.45Å; F39-F76 VanDerWaalsContact CE2-CZ 3.45Å; F39-F76 HydrophobicContact CZ-CE1 4.27Å; F39-F76 HydrophobicContact CZ-CE2 4.24Å; F39-F76 AromaticContact CZ-CZ 3.45Å; F39-F76 HydrophobicContact CZ-CZ 3.45Å; F39-F76 VanDerWaalsContact CZ-CZ 3.45Å; S73-F76 WeakPolarHBondContact O-CD1 3.13Å; S73-F76 WeakPolarHBondContact O-CE1 3.38Å; L74-F76 PolarHBondContact O-N 2.86Å; F76-P79 WeakPolarHBondContact O-CD 3.34Å
77L94Very high88.8Confident17 Ų1761.7 Ų61.79%0.08937%0.365CS..G310 helixtrans-83.4-16.7174.9-59.4175.4000113.1F39 V43 A68 L74 N75 P79 L80 F81F39-L77 HydrophobicContact CZ-CD1 4.05Å; F39-L77 HydrophobicContact CZ-CD2 4.13Å; F39-L77 HydrophobicContact CZ-CG 4.48Å; V43-L77 HydrophobicContact CG2-CD1 4.09Å; A68-L77 HydrophobicContact CB-CB 4.47Å; L74-L77 HydrophobicContact CB-CD1 4.36Å; L74-L77 HydrophobicContact CD2-CD1 4.3Å; L74-L77 VanDerWaalsContact O-CB 3.3Å; L74-L77 WeakPolarHBondContact O-CB 3.35Å; L74-L77 PolarHBondContact O-N 3.44Å; N75-L77 PolarHBondContact O-N 3.32Å; N75-L77 VanDerWaalsContact O-N 3.12Å; L77-P79 VanDerWaalsContact C-N 3.32Å; L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 WeakPolarHBondContact O-CA 3.46Å; L77-L80 VanDerWaalsContact O-CB 3.25Å; L77-L80 WeakPolarHBondContact O-CB 3.27Å; L77-L80 PolarHBondContact O-N 2.93Å; L77-F81 HydrophobicContact CB-CD2 4.31Å; L77-F81 HydrophobicContact CB-CE2 3.64Å; L77-F81 HydrophobicContact CB-CZ 4.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å
78L93.4Very high87Confident58 Ų5866.8 Ų66.830%0.30439%0.392SS..G310 helixtrans-53.9-39.2-177-65.5174.1000114.1A68 E69 N75 L80 F81 A82A68-L78 HydrophobicContact CB-CD2 3.93Å; E69-L78 HydrophobicContact CB-CD2 4.45Å; E69-L78 HydrophobicContact CG-CD2 3.59Å; N75-L78 HydrophobicContact CB-CD1 4.23Å; N75-L78 VanDerWaalsContact O-CB 3.31Å; N75-L78 WeakPolarHBondContact O-CB 3.23Å; N75-L78 VanDerWaalsContact O-CG 3.23Å; N75-L78 WeakPolarHBondContact O-CG 3.4Å; N75-L78 PolarHBondContact O-N 3.47Å; L78-L80 PolarHBondContact O-N 2.9Å; L78-F81 PolarHBondContact O-N 3.2Å; L78-A82 PolarHBondContact O-N 3.33Å
79P94.5Very high85.1Confident99 Ų9970.3 Ų70.364%0.64342%0.416SS*.G310 helixtrans-58.3-31.5174-25.736.4000113.6F76 L77 F81F76-P79 WeakPolarHBondContact O-CD 3.34Å; L77-P79 VanDerWaalsContact C-N 3.32Å; P79-F81 PolarHBondContact O-N 2.97Å
80L93.1Very high83.2Confident135 Ų13575 Ų7571%0.70744%0.439SS*.G310 helixtrans-72.2-18.6177.3-54.9175.9000112.4L77 L78L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 WeakPolarHBondContact O-CA 3.46Å; L77-L80 VanDerWaalsContact O-CB 3.25Å; L77-L80 WeakPolarHBondContact O-CB 3.27Å; L77-L80 PolarHBondContact O-N 2.93Å; L78-L80 PolarHBondContact O-N 2.9Å
81F91.4Very high81.6Confident22 Ų2278.5 Ų78.510%0.09645%0.452CS..G310 helixtrans-102.96.5-177.5-57.4-45.3000114M64 K65 A68 L77 L78 P79 G83 I84M64-F81 HydrophobicContact CB-CE1 4.3Å; M64-F81 HydrophobicContact CB-CZ 3.98Å; M64-F81 HydrophobicContact CE-CZ 4.46Å; K65-F81 HydrophobicContact CB-CB 4.06Å; K65-F81 HydrophobicContact CB-CD2 4.22Å; K65-F81 HydrophobicContact CB-CG 4.12Å; K65-F81 HydrophobicContact CD-CB 4.21Å; K65-F81 HydrophobicContact CG-CB 3.82Å; K65-F81 HydrophobicContact CG-CD2 4.41Å; K65-F81 HydrophobicContact CG-CG 4.33Å; A68-F81 HydrophobicContact CB-CD2 4.12Å; A68-F81 HydrophobicContact CB-CE2 3.72Å; L77-F81 HydrophobicContact CB-CD2 4.31Å; L77-F81 HydrophobicContact CB-CE2 3.64Å; L77-F81 HydrophobicContact CB-CZ 4.23Å; L77-F81 WeakPolarHBondContact O-CD2 3.42Å; L78-F81 PolarHBondContact O-N 3.2Å; P79-F81 PolarHBondContact O-N 2.97Å; F81-G83 PolarHBondContact O-N 3.2Å; F81-G83 VanDerWaalsContact O-N 3.09Å; F81-I84 HydrophobicContact CB-CD1 3.91Å; F81-I84 HydrophobicContact CD1-CD1 3.42Å; F81-I84 VanDerWaalsContact CD1-CD1 3.42Å; F81-I84 HydrophobicContact CE1-CD1 4.32Å; F81-I84 HydrophobicContact CG-CD1 4.05Å; F81-I84 PolarHBondContact O-N 3.5Å
82A88Confident79.8Confident87 Ų8780.6 Ų80.672%0.71946%0.459SS*.THydrogen-bonded Turntrans-55.9-31.3-174.400000113.9L78L78-A82 PolarHBondContact O-N 3.33Å
83G86.5Confident78.1Confident77 Ų7787 Ų8779%0.79447%0.471SS*.THydrogen-bonded Turntrans-88.5-2.4179.200000115.8F81F81-G83 PolarHBondContact O-N 3.2Å; F81-G83 VanDerWaalsContact O-N 3.09Å
84I85.6Confident76.5Confident36 Ų3688.9 Ų88.919%0.18548%0.48CS..PPolyproline II helixtrans-87.8121.6-176.4-63.6161.8000109.8A62 K65 F81A62-I84 HydrophobicContact CB-CG2 3.88Å; K65-I84 HydrophobicContact CD-CB 4.25Å; K65-I84 HydrophobicContact CD-CG2 4.37Å; K65-I84 PolarHBondContact NZ-O 3.04Å; F81-I84 HydrophobicContact CB-CD1 3.91Å; F81-I84 HydrophobicContact CD1-CD1 3.42Å; F81-I84 VanDerWaalsContact CD1-CD1 3.42Å; F81-I84 HydrophobicContact CE1-CD1 4.32Å; F81-I84 HydrophobicContact CG-CD1 4.05Å; F81-I84 PolarHBondContact O-N 3.5Å
85T76.2Confident75.1Confident126 Ų12689.9 Ų89.977%0.77349%0.485SS*.PPolyproline II helixtrans-64.1140171.842.70000110.9
86E67Low73.6Confident103 Ų10391.6 Ų91.648%0.48150%0.5SS..PPolyproline II helixtrans-70.5140.4-175.6-63.1-177.4-177.300111.9N88 R92E86-N88 PolarHBondContact O-N 3.44Å; E86-R92 IonicContact OE2-CZ 3.13Å; E86-R92 IonicContact OE2-NE 3.99Å
87V61.4Low72Confident36 Ų3694.1 Ų94.122%0.21851%0.513CS..SBendtrans-66.7119.4165.5-167.60000108A62 S89A62-V87 HydrophobicContact CB-CB 4.47Å; A62-V87 HydrophobicContact CB-CG2 3.14Å; V87-S89 PolarHBondContact O-N 3.44Å
88N57.1Low70.3Confident107 Ų10795.4 Ų95.457%0.57252%0.52SS*.  trans1395167.9-73.4-8.7000114.8E86 E90 R91E86-N88 PolarHBondContact O-N 3.44Å; N88-E90 PolarHBondContact O-N 3.09Å; N88-R91 PolarHBondContact O-N 3.01Å
89S53.5Low68.3Low75 Ų7597.1 Ų97.152%0.52454%0.537SS..Hα-helixtrans-53-21.6-178.216.10000114.3V87 R92V87-S89 PolarHBondContact O-N 3.44Å; S89-R92 PolarHBondContact O-N 3.23Å
90E52Low66.4Low165 Ų16597.4 Ų97.477%0.77154%0.539SS*.Hα-helixtrans-64.8-35.6174.7-73.8171.2174.200113.5N88N88-E90 PolarHBondContact O-N 3.09Å
91R57.6Low64.3Low118 Ų11894.7 Ų94.745%0.44553%0.528SS..Hα-helixtrans-83.4-15179.5-64.1-170.8-166.2176.60.2113.6F54 N88 R93 T94 I95F54-R91 HydrophobicContact CD1-CB 3.79Å; F54-R91 VanDerWaalsContact CD1-CD 3.44Å; F54-R91 HydrophobicContact CD1-CG 4.29Å; F54-R91 HydrophobicContact CE1-CB 3.37Å; F54-R91 HydrophobicContact CE1-CG 4.32Å; F54-R91 PolarHBondContact O-NH1 3.27Å; N88-R91 PolarHBondContact O-N 3.01Å; R91-R93 PolarHBondContact O-N 3.38Å; R91-T94 PolarHBondContact O-OG1 2.97Å; R91-I95 WeakPolarHBondContact O-CD1 3.31Å
92R56.4Low62.4Low59 Ų59102.2 Ų102.222%0.22356%0.564CS.*Hα-helixtrans-62-30.4179.1-80.4-177.7172.3-131.8-8.9112.5L66 E69 E86 S89 T94L66-R92 HydrophobicContact CD1-CG 4.31Å; L66-R92 HydrophobicContact CD2-CG 4.43Å; E69-R92 IonicContact OE1-CZ 3.2Å; E69-R92 IonicContact OE1-NH1 3.76Å; E69-R92 IonicContact OE1-NH2 2.85Å; E69-R92 PolarHBondContact OE1-NH2 3.14Å; E69-R92 IonicContact OE2-CZ 3.23Å; E69-R92 IonicContact OE2-NH1 3.75Å; E69-R92 PolarHBondContact OE2-NH1 3.31Å; E69-R92 IonicContact OE2-NH2 3.98Å; E69-R92 PolarHBondContact OE2-NH2 2.78Å; E86-R92 IonicContact OE2-CZ 3.13Å; E86-R92 IonicContact OE2-NE 3.99Å; S89-R92 PolarHBondContact O-N 3.23Å; R92-T94 PolarHBondContact O-N 2.88Å
93R57.2Low60.5Low224 Ų224102.2 Ų102.285%0.84556%0.555SS**THydrogen-bonded Turntrans-76.1-16.3-172.5-64.3-175.6-177144.41.2114.8R91R91-R93 PolarHBondContact O-N 3.38Å
94T59.3Low58.2Low115 Ų115103.3 Ų103.371%0.70655%0.551SS**THydrogen-bonded Turntrans-102.83.4-173.256.80000113.9R91 R92R91-T94 PolarHBondContact O-OG1 2.97Å; R92-T94 PolarHBondContact O-N 2.88Å
95I63.8Low56.4Low29 Ų29110 Ų11015%0.14958%0.578CS.*SBendtrans-101.3124.5-170.8-54.1166.8000110S53 F54 R91S53-I95 VanDerWaalsContact OG-CD1 3.27Å; S53-I95 WeakPolarHBondContact OG-CD1 3.33Å; F54-I95 HydrophobicContact CD1-CD1 4.09Å; F54-I95 HydrophobicContact CE1-CD1 3.34Å; F54-I95 HydrophobicContact CE2-CD1 4.22Å; F54-I95 HydrophobicContact CZ-CD1 3.44Å; F54-I95 VanDerWaalsContact CZ-CD1 3.44Å; R91-I95 WeakPolarHBondContact O-CD1 3.31Å
96P62.4Low54.7Low106 Ų106107.5 Ų107.569%0.68857%0.565SS**PPolyproline II helixtrans-56.1142.9176.9-24.233.6000112.5L98P96-L98 PolarHBondContact O-N 3.22Å
97E61.7Low53.3Low182 Ų182107.4 Ų107.485%0.8558%0.582SS**PPolyproline II helixtrans-62.6126.1172.7-169.3173.6175.600109.7S99E97-S99 PolarHBondContact O-N 2.66Å
98L58.3Low52.4Low44 Ų44112.5 Ų112.523%0.2360%0.603CS.*PPolyproline II helixtrans-73.3120.8178.2-68.8168.6000108.2E49 P96E49-L98 HydrophobicContact CB-CD1 4.44Å; E49-L98 HydrophobicContact CB-CD2 4.41Å; E49-L98 WeakPolarHBondContact OE2-CD1 3.31Å; E49-L98 WeakPolarHBondContact OE2-CD2 3.28Å; P96-L98 PolarHBondContact O-N 3.22Å
99S52.3Low51.6Low95 Ų95118 Ų11866%0.66462%0.615SS**PPolyproline II helixtrans-64.8139.5173.9-38.70000109.3E97 T101E97-S99 PolarHBondContact O-N 2.66Å; S99-T101 PolarHBondContact O-N 3.28Å
100P52.9Low50.9Low104 Ų104122.7 Ų122.768%0.67563%0.629SS**PPolyproline II helixtrans-57.5118.2175.322.5-30.7000108.5E102P100-E102 PolarHBondContact O-N 3.45Å; P100-E102 VanDerWaalsContact O-N 3.13Å
101T50.4Low50.6Low79 Ų79126.2 Ų126.249%0.48564%0.635SS.*  trans-73.2109.3172.6-580000106.3R46 S99 T103R46-T101 PolarHBondContact NH1-OG1 3.46Å; R46-T101 VanDerWaalsContact NH1-OG1 3.12Å; R46-T101 PolarHBondContact NH2-OG1 3.27Å; S99-T101 PolarHBondContact O-N 3.28Å; T101-T103 PolarHBondContact O-N 3.29Å
102E50.5Low50.1Low179 Ų179130.4 Ų130.484%0.83666%0.657SS**  trans-55.7104.9165.4-65.4-173.5164.600107.3P100 S104P100-E102 PolarHBondContact O-N 3.45Å; P100-E102 VanDerWaalsContact O-N 3.13Å; E102-S104 PolarHBondContact O-N 3.28Å
103T47.7Very low49.6Very low87 Ų87139 Ų13953%0.53469%0.689SS.*  trans-64.881.5165.436.90000107.5T101 F105T101-T103 PolarHBondContact O-N 3.29Å; T103-F105 VanDerWaalsContact C-N 3.3Å; T103-F105 PolarHBondContact O-N 2.91Å
104S39.2Very low48.9Very low101 Ų101137.8 Ų137.871%0.70668%0.684SS**  trans-59.897161.8166.50000106.5E102 P106E102-S104 PolarHBondContact O-N 3.28Å; S104-P106 WeakPolarHBondContact O-CD 3.47Å
105F46.8Very low48.5Very low175 Ų175142 Ų14277%0.76869%0.688SS**  trans-53.4126.3156.2-70.1-84.2000105.7T103 A107T103-F105 VanDerWaalsContact C-N 3.3Å; T103-F105 PolarHBondContact O-N 2.91Å; F105-A107 PolarHBondContact O-N 2.96Å
106P41.3Very low47.7Very low75 Ų75150.2 Ų150.249%0.48772%0.722SS.*  trans-6495.4170.325.4-30000106.5S104 E108S104-P106 WeakPolarHBondContact O-CD 3.47Å; P106-E108 HydrophobicContact CB-CB 4.06Å; P106-E108 PolarHBondContact O-N 3.32Å
107A37.6Very low46.8Very low101 Ų101153.7 Ų153.784%0.83573%0.734SS**  trans-69.656.515800000107.3F105 R109F105-A107 PolarHBondContact O-N 2.96Å; A107-R109 VanDerWaalsContact C-N 3.33Å; A107-R109 PolarHBondContact O-N 3.43Å
108E41.8Very low46.1Very low143 Ų143151.6 Ų151.667%0.66873%0.728SS**  trans-83.588.6-175.4-159.2137.9-147.800107.5P106 H110P106-E108 HydrophobicContact CB-CB 4.06Å; P106-E108 PolarHBondContact O-N 3.32Å; E108-H110 PolarHBondContact O-N 2.99Å
109R40.1Very low45.6Very low221 Ų221156.9 Ų156.983%0.83476%0.756SS**  trans48.961.7131.3-66.3177.9169.4177.2-1.9115.7A107A107-R109 VanDerWaalsContact C-N 3.33Å; A107-R109 PolarHBondContact O-N 3.43Å
110H40.2Very low45.4Very low175 Ų175159.8 Ų159.881%0.8176%0.764SS**  trans-113.857.3149.3-90.8-66.4000111.3E108E108-H110 PolarHBondContact O-N 2.99Å
111R45.8Very low45Very low239 Ų239163.4 Ų163.490%0.90278%0.777SS**  trans-102.516.2170.2-134.9175.6-172.8167.41.4113.7
112K47.4Very low44.9Very low206 Ų206164.3 Ų164.390%0.89679%0.793SS**  trans-128.518.8-177.5-95.4-174.8179.6-177.90117.2
113R44.2Very low44.7Very low239 Ų239160.3 Ų160.390%0.90279%0.791SS**  trans-104.650.8157.7-85.2-175.6159.8-175.9-6.2110.5
114R44.1Very low44.6Very low198 Ų198161.1 Ų161.175%0.74781%0.806SS**  trans-85123.1165.5-127.717081.81572.5106.3
115R49.8Very low45Very low205 Ų205163.6 Ų163.677%0.77481%0.811SS**SBendtrans66.357.7154.6-56.8171.693.5133.1-2.5118.2
116K46.9Very low44.9Very low201 Ų201163.4 Ų163.487%0.87482%0.818SS**SBendtrans-144.622.5156.1-144.2-175179.2-1730115.3
117L43.6Very low44.9Very low178 Ų178163.9 Ų163.993%0.93284%0.837SS**SBendtrans-129.960.4165-90.4153.9000106.8
118L46.3Very low45Very low139 Ų139162.4 Ų162.473%0.72883%0.832SS**SBendtrans-148.3120.6167.8-95.8168.3000101.5
119L49.1Very low45.1Very low155 Ų155164.5 Ų164.581%0.81284%0.841SS**SBendtrans79.389.3-162.1-66.775.2000112.8
120D47.5Very low45.5Very low156 Ų156158.3 Ų158.383%0.83483%0.832SS**SBendtrans-167-8.4141.5-91.9-17.5000112.7
121D44.4Very low45.9Very low179 Ų179159.3 Ų159.396%0.95784%0.837SS**THydrogen-bonded Turntrans-96.223.9172.3-76.9-31.4000114.7
122A48Very low46.3Very low99 Ų99153.7 Ų153.782%0.81883%0.834SS**THydrogen-bonded Turntrans-115.414.6177.400000114.2
123A46.2Very low46.4Very low95 Ų95153.2 Ų153.279%0.78584%0.835SS**  trans-139.263.5-177.900000111.8
124A46.9Very low46.8Very low103 Ų103154.8 Ų154.885%0.85185%0.853SS**  trans-141.248.9167.400000110.4
125N46.9Very low46.9Very low153 Ų153152.7 Ų152.782%0.81886%0.858SS**SBendtrans-160.573.2166.5-150.218.9000111.8
126N45.3Very low46.8Very low171 Ų171149.9 Ų149.991%0.91486%0.863SS**  trans171.5115149-103.6-13.8000110.1
127G41.4Very low46.8Very low85 Ų85147.1 Ų147.188%0.87686%0.862SS**  trans157.6104.4166.400000113.4
128G39Very low46.9Very low71 Ų71145.2 Ų145.273%0.73286%0.858SS**  trans108.777.8143.200000117.6
129H43.1Very low47Very low186 Ų186145.6 Ų145.686%0.86187%0.866SS**  trans-139.692.5138.8-118.4-43.7000104.6
130S49.8Very low46.8Very low92 Ų92145 Ų14564%0.64387%0.87SS**  52.483.381.7-44.80000110.1
131E47.9Very low46.8Very low195 Ų195144.2 Ų144.291%0.91187%0.872SS**  67.7103.7100.1-78.4-176.117200113.6
132S54.1Low47Very low122 Ų122141.5 Ų141.585%0.85387%0.865SS**  trans-155.2101.414653.60000107.4
133E49.5Very low46.9Very low195 Ų195145.1 Ų145.191%0.91187%0.869SS**  trans-73.6124166.3-68.8-179.8136.900109.5
134E52.7Low46.9Very low273 Ų273149.6 Ų149.6100%1.27688%0.877SS**  trans173.10131.5-99.2-172.6160.800109.7

Retrieved 134 of 134 residues in 171.6 ms (Link to these results)