A0A093GUB5_STRCA Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A093GUB5, Species STRCA (Struthio camelus australis), Gene n/a, Length 126 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
1S85.8Confident95.4Very high120 Ų12084.1 Ų84.184%0.83949%0.487SS*.  0157.1048.40000108.9S14 T15S1-S14 CarbonylContact O-C 3.03Å; S1-S14 VanDerWaalsContact O-CA 3.25Å; S1-S14 WeakPolarHBondContact O-CA 3.28Å; S1-S14 PolarHBondContact O-OG 2.81Å; S1-S14 VanDerWaalsContact O-OG 3.12Å; S1-T15 PolarHBondContact N-O 2.99Å; S1-T15 PolarHBondContact O-N 3.29Å
2A95.4Very high95.6Very high43 Ų4382.6 Ų82.636%0.35547%0.467SS..EExtended strand (participates in β ladder)trans-149.3147.6174.800000111.3W12 R13 L82A2-W12 HydrophobicContact CB-CE3 4.31Å; A2-R13 VanDerWaalsContact CA-O 3.3Å; A2-R13 WeakPolarHBondContact CA-O 3.43Å; A2-L82 HydrophobicContact CB-CD1 3.73Å
3G96.5Very high95.8Very high20 Ų2082.9 Ų82.921%0.20646%0.456CS..EExtended strand (participates in β ladder)trans-178175.4175.600000113.3W12 R13G3-W12 CarbonylContact O-C 3.55Å; G3-W12 WeakPolarHBondContact O-CA 3.48Å; G3-W12 VanDerWaalsContact O-CB 3.28Å; G3-W12 WeakPolarHBondContact O-CB 3.37Å; G3-R13 PolarHBondContact N-O 2.88Å; G3-R13 PolarHBondContact O-N 3.08Å
4P97.5Very high96Very high70 Ų7077.1 Ų77.146%0.45542%0.424SS..EExtended strand (participates in β ladder)trans-56.4144.4178.4-2332.6000112.6G6 E11P4-G6 VanDerWaalsContact C-N 3.29Å; P4-G6 WeakPolarHBondContact CB-O 3.35Å; P4-E11 CarbonylContact C-O 3.18Å; P4-E11 WeakPolarHBondContact CA-O 3.4Å
5K95.4Very high96.1Very high87 Ų8774.3 Ų74.338%0.37841%0.41SS..SBendtrans-74.9-21.5174.2-66.6178.1-174.41720112.9E11 W12 R13 D32K5-E11 HydrophobicContact CD-CB 4.31Å; K5-E11 PolarHBondContact N-O 3.01Å; K5-W12 WeakPolarHBondContact CE-O 3.44Å; K5-R13 HydrophobicContact CG-CB 3.97Å; K5-D32 WeakPolarHBondContact CE-OD1 3.39Å; K5-D32 VanDerWaalsContact NZ-CG 3.31Å; K5-D32 IonicContact NZ-OD1 2.87Å; K5-D32 PolarHBondContact NZ-OD1 3.47Å; K5-D32 IonicContact NZ-OD2 3.94Å
6G95.3Very high96.3Very high45 Ų4570.1 Ų70.146%0.46439%0.387SS..SBendtrans178.7-147.2-175.400000109.2P4 N8P4-G6 VanDerWaalsContact C-N 3.29Å; P4-G6 WeakPolarHBondContact CB-O 3.35Å; G6-N8 VanDerWaalsContact C-N 3.27Å; G6-N8 PolarHBondContact O-N 3.49Å
7D96.4Very high96.4Very high170 Ų17073.2 Ų73.291%0.90940%0.402SS*.SBendtrans-67.7-25.7-174.4-56.3-27.9000113.6I9D7-I9 PolarHBondContact O-N 2.77Å
8N95.7Very high96.5Very high72 Ų7269.6 Ų69.639%0.38538%0.384SS..  trans-74.298.2174.7-174.43.7000110.8G6 Y10 E11G6-N8 VanDerWaalsContact C-N 3.27Å; G6-N8 PolarHBondContact O-N 3.49Å; N8-Y10 PolarHBondContact O-N 2.72Å; N8-Y10 VanDerWaalsContact O-N 3.1Å; N8-Y10 WeakPolarHBondContact OD1-CB 3.27Å; N8-Y10 PolarHBondContact OD1-N 2.67Å; N8-E11 PolarHBondContact ND2-OE1 3.44Å; N8-E11 PolarHBondContact O-N 2.89Å
9I95.8Very high96.5Very high111 Ų11166.7 Ų66.757%0.56937%0.369SS*.THydrogen-bonded Turntrans-64-13.5179.166.4165.4000114.1D7 E11 W12D7-I9 PolarHBondContact O-N 2.77Å; I9-E11 VanDerWaalsContact C-N 3.32Å; I9-W12 VanDerWaalsContact O-CD1 3.22Å; I9-W12 PolarHBondContact O-NE1 3.43Å
10Y97.4Very high96.6Very high107 Ų10769.2 Ų69.242%0.4239%0.388SS..THydrogen-bonded Turntrans-86-2.6176.2-64.2-89.4000113N8 T34 F35N8-Y10 PolarHBondContact O-N 2.72Å; N8-Y10 VanDerWaalsContact O-N 3.1Å; N8-Y10 WeakPolarHBondContact OD1-CB 3.27Å; N8-Y10 PolarHBondContact OD1-N 2.67Å; Y10-T34 WeakPolarHBondContact O-CA 3.35Å; Y10-F35 HydrophobicContact CD1-CB 3.76Å; Y10-F35 HydrophobicContact CG-CB 4.48Å; Y10-F35 WeakPolarHBondContact O-CD2 3.43Å; Y10-F35 PolarHBondContact O-N 2.93Å
11E98.1Very high96.5Very high80 Ų8069.4 Ų69.437%0.37441%0.406SS..EExtended strand (participates in β ladder)trans-123110.8178.7-75.4-175.2-139.700111.4P4 K5 N8 I9P4-E11 CarbonylContact C-O 3.18Å; P4-E11 WeakPolarHBondContact CA-O 3.4Å; K5-E11 HydrophobicContact CD-CB 4.31Å; K5-E11 PolarHBondContact N-O 3.01Å; N8-E11 PolarHBondContact ND2-OE1 3.44Å; N8-E11 PolarHBondContact O-N 2.89Å; I9-E11 VanDerWaalsContact C-N 3.32Å
12W98.4Very high97.1Very high66 Ų6664.6 Ų64.625%0.2537%0.372CS..EExtended strand (participates in β ladder)trans-115.6154.2-176.9-74.833.8000111.2A2 G3 K5 I9 I33 F35 I78A2-W12 HydrophobicContact CB-CE3 4.31Å; G3-W12 CarbonylContact O-C 3.55Å; G3-W12 WeakPolarHBondContact O-CA 3.48Å; G3-W12 VanDerWaalsContact O-CB 3.28Å; G3-W12 WeakPolarHBondContact O-CB 3.37Å; K5-W12 WeakPolarHBondContact CE-O 3.44Å; I9-W12 VanDerWaalsContact O-CD1 3.22Å; I9-W12 PolarHBondContact O-NE1 3.43Å; W12-I33 HydrophobicContact CB-CB 3.95Å; W12-I33 HydrophobicContact CB-CG2 4.46Å; W12-I33 PolarHBondContact N-O 3.48Å; W12-I33 PolarHBondContact O-N 3.04Å; W12-F35 HydrophobicContact CB-CE2 4.15Å; W12-F35 AromaticContact CD1-CE2 3.61Å; W12-F35 AromaticContact CD2-CE2 3.76Å; W12-F35 HydrophobicContact CD2-CE2 3.76Å; W12-F35 HydrophobicContact CD2-CZ 4.09Å; W12-F35 AromaticContact CE2-CE2 3.85Å; W12-F35 HydrophobicContact CE3-CE2 4.44Å; W12-F35 HydrophobicContact CE3-CZ 4.37Å; W12-F35 AromaticContact CG-CE2 3.63Å; W12-F35 HydrophobicContact CG-CE2 3.63Å; W12-F35 HydrophobicContact CG-CZ 4.4Å; W12-F35 AromaticContact NE1-CE2 3.72Å; W12-I78 HydrophobicContact CZ3-CG2 4.36Å
13R98.3Very high97.3Very high87 Ų8763.2 Ų63.233%0.32836%0.36SS..EExtended strand (participates in β ladder)trans-115141165.6178.8155.5-71151.47.3109.1A2 G3 K5 L31 D32 R49A2-R13 VanDerWaalsContact CA-O 3.3Å; A2-R13 WeakPolarHBondContact CA-O 3.43Å; G3-R13 PolarHBondContact N-O 2.88Å; G3-R13 PolarHBondContact O-N 3.08Å; K5-R13 HydrophobicContact CG-CB 3.97Å; R13-L31 WeakPolarHBondContact CA-O 3.37Å; R13-D32 IonicContact CZ-OD1 3.54Å; R13-D32 IonicContact NE-OD1 3.3Å; R13-D32 PolarHBondContact NE-OD1 3.38Å; R13-D32 IonicContact NH2-OD1 2.87Å; R13-D32 PolarHBondContact NH2-OD1 3.23Å; R13-D32 IonicContact NH2-OD2 3.85Å; R13-R49 VanDerWaalsContact NH1-NH1 3.12Å
14S98.3Very high97.4Very high1 Ų162.5 Ų62.51%0.00735%0.351CS..EExtended strand (participates in β ladder)trans-123.6151.6172.8-1790000110.7S1 F30 L31 L82S1-S14 CarbonylContact O-C 3.03Å; S1-S14 VanDerWaalsContact O-CA 3.25Å; S1-S14 WeakPolarHBondContact O-CA 3.28Å; S1-S14 PolarHBondContact O-OG 2.81Å; S1-S14 VanDerWaalsContact O-OG 3.12Å; S14-F30 WeakPolarHBondContact O-CA 3.33Å; S14-L31 PolarHBondContact N-O 2.97Å; S14-L31 PolarHBondContact O-N 3.3Å; S14-L82 VanDerWaalsContact OG-CD2 3.3Å; S14-L82 WeakPolarHBondContact OG-CD2 3.38Å
15T97.9Very high97.4Very high35 Ų3564.7 Ų64.722%0.21536%0.355CS..EExtended strand (participates in β ladder)trans-122122.7170.7-60.10000108.5S1 V28 F29 F30S1-T15 PolarHBondContact N-O 2.99Å; S1-T15 PolarHBondContact O-N 3.29Å; T15-V28 HydrophobicContact CG2-CG1 3.55Å; T15-F29 WeakPolarHBondContact CA-O 3.43Å; T15-F30 HydrophobicContact CG2-CE1 4.39Å; T15-F30 WeakPolarHBondContact OG1-CD1 3.48Å; T15-F30 WeakPolarHBondContact OG1-CE1 3.46Å
16I97.9Very high97.5Very high8 Ų863.5 Ų63.54%0.04137%0.368CS..EExtended strand (participates in β ladder)trans-109.9128171.3-69178.5000107.7F29 L31 L82 I85 L89I16-F29 PolarHBondContact N-O 2.92Å; I16-F29 PolarHBondContact O-N 3.3Å; I16-L31 HydrophobicContact CB-CD1 4.07Å; I16-L31 HydrophobicContact CD1-CD1 3.8Å; I16-L31 HydrophobicContact CD1-CD2 4.01Å; I16-L31 HydrophobicContact CG1-CD1 3.87Å; I16-L82 HydrophobicContact CD1-CD2 4.06Å; I16-L82 HydrophobicContact CG1-CD2 4.44Å; I16-I85 HydrophobicContact CD1-CB 4.06Å; I16-I85 HydrophobicContact CD1-CG2 3.58Å; I16-L89 HydrophobicContact CG2-CD1 3.92Å
17L98Very high97.7Very high123 Ų12361.4 Ų61.464%0.64435%0.346SS*.EExtended strand (participates in β ladder)trans-82.3138.1166.9-59.4-179.8000108G27 V28L17-G27 WeakPolarHBondContact CA-O 3.33Å; L17-V28 HydrophobicContact CD2-CG1 4.47Å; L17-V28 HydrophobicContact CD2-CG2 3.93Å
18G98.1Very high97.8Very high7 Ų755.8 Ų55.87%0.07232%0.317CS..PPolyproline II helixtrans-56.9129.9175.100000110.9Y24 G27G18-Y24 WeakPolarHBondContact CA-O 3.48Å; G18-G27 PolarHBondContact N-O 2.87Å
19P98.2Very high97.9Very high15 Ų1552.4 Ų52.410%0.09730%0.299CS..PPolyproline II helixtrans-56.9137.6-175.8-26.333.8000112.3S22 L89 T90P19-S22 VanDerWaalsContact O-CB 3.29Å; P19-S22 WeakPolarHBondContact O-CB 3.47Å; P19-S22 PolarHBondContact O-N 2.97Å; P19-S22 VanDerWaalsContact O-N 3.12Å; P19-S22 PolarHBondContact O-OG 2.98Å; P19-L89 HydrophobicContact CG-CB 3.93Å; P19-T90 WeakPolarHBondContact CB-OG1 3.46Å
20P97.3Very high98.1Very high116 Ų11651.2 Ų51.275%0.75329%0.29SS*.THydrogen-bonded Turntrans-56.6139.2173.2-23.733.7000111.7S22P20-S22 PolarHBondContact O-N 3.16Å
21G95.8Very high98.1Very high75 Ų7546.1 Ų46.177%0.77327%0.27SS*.THydrogen-bonded Turntrans78.2-8.2-175.900000114.9E25G21-E25 WeakPolarHBondContact CA-OE2 3.42Å; G21-E25 PolarHBondContact N-OE2 3.42Å
22S98.1Very high98.1Very high18 Ų1843.6 Ų43.613%0.12626%0.259CS..SBendtrans-86.5166.4176.279.40000112.1P19 P20 Y24 E25P19-S22 VanDerWaalsContact O-CB 3.29Å; P19-S22 WeakPolarHBondContact O-CB 3.47Å; P19-S22 PolarHBondContact O-N 2.97Å; P19-S22 VanDerWaalsContact O-N 3.12Å; P19-S22 PolarHBondContact O-OG 2.98Å; P20-S22 PolarHBondContact O-N 3.16Å; S22-Y24 PolarHBondContact O-N 3.36Å; S22-Y24 VanDerWaalsContact O-N 3.1Å; S22-Y24 PolarHBondContact OG-N 2.89Å; S22-Y24 VanDerWaalsContact OG-N 3.13Å; S22-E25 WeakPolarHBondContact O-CB 3.49Å; S22-E25 PolarHBondContact O-N 3.2Å; S22-E25 VanDerWaalsContact O-N 3.15Å; S22-E25 PolarHBondContact OG-N 2.93Å
23V98.5Very high98.2Very high14 Ų1440.5 Ų40.59%0.08525%0.248CC..THydrogen-bonded Turntrans-64.5-9.7170.8-62.10000113.6D114 A117 R118 T121V23-D114 HydrophobicContact CG1-CB 3.63Å; V23-D114 VanDerWaalsContact CG1-CG 3.49Å; V23-A117 HydrophobicContact CB-CB 3.75Å; V23-A117 HydrophobicContact CG1-CB 4.41Å; V23-A117 HydrophobicContact CG2-CB 3.51Å; V23-R118 HydrophobicContact CB-CG 4.04Å; V23-R118 HydrophobicContact CG1-CG 4.43Å; V23-R118 WeakPolarHBondContact O-CG 3.49Å; V23-T121 PolarHBondContact O-OG1 3.16Å; V23-T121 VanDerWaalsContact O-OG1 3.08Å
24Y98.8Very high98.2Very high5 Ų539 Ų392%0.0225%0.248CC..THydrogen-bonded Turntrans-100.3-5.2179.3-50.2-64000113G18 S22 G26 G27 F29 I52 Y53 H54 L89 A117 T121G18-Y24 WeakPolarHBondContact CA-O 3.48Å; S22-Y24 PolarHBondContact O-N 3.36Å; S22-Y24 VanDerWaalsContact O-N 3.1Å; S22-Y24 PolarHBondContact OG-N 2.89Å; S22-Y24 VanDerWaalsContact OG-N 3.13Å; Y24-G26 PolarHBondContact O-N 3.3Å; Y24-G27 PolarHBondContact O-N 3.04Å; Y24-F29 HydrophobicContact CD1-CZ 4.02Å; Y24-F29 HydrophobicContact CG-CZ 4.3Å; Y24-I52 HydrophobicContact CD1-CD1 3.83Å; Y24-I52 HydrophobicContact CD1-CG1 3.99Å; Y24-I52 HydrophobicContact CE1-CD1 3.69Å; Y24-I52 HydrophobicContact CE1-CG1 3.6Å; Y24-I52 HydrophobicContact CG-CD1 4.42Å; Y24-Y53 PolarHBondContact OH-O 3.46Å; Y24-H54 AromaticContact CE2-CD2 3.87Å; Y24-H54 AromaticContact CZ-CD2 3.69Å; Y24-H54 PolarHBondContact OH-CD2 2.58Å; Y24-L89 HydrophobicContact CD2-CB 3.9Å; Y24-L89 HydrophobicContact CD2-CD2 4.25Å; Y24-L89 VanDerWaalsContact CD2-O 3.26Å; Y24-L89 WeakPolarHBondContact CD2-O 3.29Å; Y24-L89 HydrophobicContact CE2-CB 4.22Å; Y24-L89 HydrophobicContact CE2-CD2 4.15Å; Y24-L89 WeakPolarHBondContact CE2-O 3.48Å; Y24-A117 HydrophobicContact CE1-CB 4.28Å; Y24-T121 WeakPolarHBondContact O-CG2 3.45Å
25E98.5Very high98.1Very high116 Ų11640 Ų4054%0.54225%0.253SS..THydrogen-bonded Turntrans-49.5137.2-179.2-177174.7173.500112.3G21 S22 G27G21-E25 WeakPolarHBondContact CA-OE2 3.42Å; G21-E25 PolarHBondContact N-OE2 3.42Å; S22-E25 WeakPolarHBondContact O-CB 3.49Å; S22-E25 PolarHBondContact O-N 3.2Å; S22-E25 VanDerWaalsContact O-N 3.15Å; S22-E25 PolarHBondContact OG-N 2.93Å; E25-G27 PolarHBondContact O-N 2.74Å
26G97.9Very high98.1Very high63 Ų6340.6 Ų40.665%0.64926%0.256SS*.THydrogen-bonded Turntrans79.4-9.6-176.200000114.7Y24Y24-G26 PolarHBondContact O-N 3.3Å
27G98.4Very high98Very high0 Ų045.3 Ų45.30%029%0.287CS..  trans-79.7149.4174.400000113.9L17 G18 Y24 E25 A125L17-G27 WeakPolarHBondContact CA-O 3.33Å; G18-G27 PolarHBondContact N-O 2.87Å; Y24-G27 PolarHBondContact O-N 3.04Å; E25-G27 PolarHBondContact O-N 2.74Å; G27-A125 CarbonylContact C-O 3.52Å; G27-A125 WeakPolarHBondContact CA-O 3.41Å
28V98.5Very high98Very high52 Ų5243.1 Ų43.132%0.31527%0.274SS..EExtended strand (participates in β ladder)trans-116.2110.2174-1750000108.6T15 L17 F30 A125T15-V28 HydrophobicContact CG2-CG1 3.55Å; L17-V28 HydrophobicContact CD2-CG1 4.47Å; L17-V28 HydrophobicContact CD2-CG2 3.93Å; V28-F30 HydrophobicContact CG1-CE1 4.41Å; V28-F30 HydrophobicContact CG1-CE2 4.42Å; V28-F30 HydrophobicContact CG1-CZ 4.05Å; V28-A125 PolarHBondContact N-O 3.15Å
29F98.7Very high97.9Very high1 Ų146.2 Ų46.20%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-106.2124-176.6-59.2-88.4000110.4T15 I16 Y24 L31 F48 T50 I52 T121 A125T15-F29 WeakPolarHBondContact CA-O 3.43Å; I16-F29 PolarHBondContact N-O 2.92Å; I16-F29 PolarHBondContact O-N 3.3Å; Y24-F29 HydrophobicContact CD1-CZ 4.02Å; Y24-F29 HydrophobicContact CG-CZ 4.3Å; F29-L31 HydrophobicContact CB-CD1 4.36Å; F29-L31 WeakPolarHBondContact O-CD1 3.35Å; F29-F48 HydrophobicContact CB-CD1 4.28Å; F29-F48 HydrophobicContact CB-CE1 3.85Å; F29-F48 HydrophobicContact CD1-CD1 4.35Å; F29-F48 HydrophobicContact CD1-CE1 4.1Å; F29-F48 HydrophobicContact CG-CE1 4.13Å; F29-T50 HydrophobicContact CD1-CG2 3.8Å; F29-T50 HydrophobicContact CE1-CG2 4.33Å; F29-I52 HydrophobicContact CD1-CB 4.43Å; F29-I52 HydrophobicContact CD1-CD1 4.02Å; F29-I52 HydrophobicContact CD1-CG1 4.43Å; F29-I52 HydrophobicContact CE1-CB 4.13Å; F29-I52 HydrophobicContact CE1-CD1 3.68Å; F29-I52 HydrophobicContact CE1-CG1 3.83Å; F29-I52 HydrophobicContact CZ-CD1 4.17Å; F29-I52 HydrophobicContact CZ-CG1 4.5Å; F29-T121 HydrophobicContact CZ-CG2 4.21Å; F29-A125 HydrophobicContact CD1-CB 3.99Å; F29-A125 HydrophobicContact CE1-CB 3.56Å; F29-A125 HydrophobicContact CE2-CB 4.22Å; F29-A125 HydrophobicContact CG-CB 4.49Å; F29-A125 HydrophobicContact CZ-CB 3.7Å
30F98.4Very high97.8Very high86 Ų8647.6 Ų47.638%0.37729%0.293SS..EExtended strand (participates in β ladder)trans-93.1133.6173.6-61.4-70.9000110.2S14 T15 V28 R49 T50S14-F30 WeakPolarHBondContact O-CA 3.33Å; T15-F30 HydrophobicContact CG2-CE1 4.39Å; T15-F30 WeakPolarHBondContact OG1-CD1 3.48Å; T15-F30 WeakPolarHBondContact OG1-CE1 3.46Å; V28-F30 HydrophobicContact CG1-CE1 4.41Å; V28-F30 HydrophobicContact CG1-CE2 4.42Å; V28-F30 HydrophobicContact CG1-CZ 4.05Å; F30-R49 HydrophobicContact CB-CB 4.3Å; F30-R49 WeakPolarHBondContact O-CA 3.19Å; F30-R49 WeakPolarHBondContact O-CB 2.96Å; F30-R49 PolarHBondContact O-N 3.11Å; F30-T50 PolarHBondContact N-OG1 2.84Å; F30-T50 PolarHBondContact O-N 2.85Å
31L98.7Very high97.8Very high0 Ų050 Ų500%029%0.291CS..EExtended strand (participates in β ladder)trans-122.8145.5175.3-62.882.6000109.2R13 S14 I16 F29 V46 T47 F48 I63 I85R13-L31 WeakPolarHBondContact CA-O 3.37Å; S14-L31 PolarHBondContact N-O 2.97Å; S14-L31 PolarHBondContact O-N 3.3Å; I16-L31 HydrophobicContact CB-CD1 4.07Å; I16-L31 HydrophobicContact CD1-CD1 3.8Å; I16-L31 HydrophobicContact CD1-CD2 4.01Å; I16-L31 HydrophobicContact CG1-CD1 3.87Å; F29-L31 HydrophobicContact CB-CD1 4.36Å; F29-L31 WeakPolarHBondContact O-CD1 3.35Å; L31-V46 HydrophobicContact CB-CG1 4.45Å; L31-V46 HydrophobicContact CD2-CG1 3.83Å; L31-T47 CarbonylContact C-O 3.6Å; L31-T47 VanDerWaalsContact CA-O 3.26Å; L31-T47 WeakPolarHBondContact CA-O 3.45Å; L31-F48 HydrophobicContact CD1-CE1 4.25Å; L31-F48 HydrophobicContact CD1-CZ 4.34Å; L31-F48 HydrophobicContact CD2-CD2 3.94Å; L31-F48 HydrophobicContact CD2-CE2 3.66Å; L31-F48 HydrophobicContact CD2-CG 4.5Å; L31-F48 HydrophobicContact CD2-CZ 4.01Å; L31-F48 HydrophobicContact CG-CD1 4.37Å; L31-F48 HydrophobicContact CG-CD2 4.19Å; L31-F48 HydrophobicContact CG-CE1 4.41Å; L31-F48 HydrophobicContact CG-CE2 4.22Å; L31-F48 HydrophobicContact CG-CG 4.26Å; L31-F48 HydrophobicContact CG-CZ 4.33Å; L31-I63 HydrophobicContact CD2-CD1 4.3Å; L31-I85 HydrophobicContact CD2-CD1 4.06Å; L31-I85 HydrophobicContact CD2-CG2 4.29Å
32D98.5Very high97.8Very high28 Ų2851.6 Ų51.615%0.1528%0.277CS..EExtended strand (participates in β ladder)trans-102.3135.9168.2-68.7-48.9000108.7K5 R13 V46 T47K5-D32 WeakPolarHBondContact CE-OD1 3.39Å; K5-D32 VanDerWaalsContact NZ-CG 3.31Å; K5-D32 IonicContact NZ-OD1 2.87Å; K5-D32 PolarHBondContact NZ-OD1 3.47Å; K5-D32 IonicContact NZ-OD2 3.94Å; R13-D32 IonicContact CZ-OD1 3.54Å; R13-D32 IonicContact NE-OD1 3.3Å; R13-D32 PolarHBondContact NE-OD1 3.38Å; R13-D32 IonicContact NH2-OD1 2.87Å; R13-D32 PolarHBondContact NH2-OD1 3.23Å; R13-D32 IonicContact NH2-OD2 3.85Å; D32-V46 WeakPolarHBondContact O-CA 3.3Å; D32-T47 PolarHBondContact N-O 3.48Å; D32-T47 PolarHBondContact O-N 3.41Å
33I98.6Very high97.8Very high1 Ų152.5 Ų52.51%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-122.3125.4179.3-57.4170.3000106.8W12 F35 P44 K45 V46 I78 L82W12-I33 HydrophobicContact CB-CB 3.95Å; W12-I33 HydrophobicContact CB-CG2 4.46Å; W12-I33 PolarHBondContact N-O 3.48Å; W12-I33 PolarHBondContact O-N 3.04Å; I33-F35 HydrophobicContact CG2-CD2 4.38Å; I33-F35 HydrophobicContact CG2-CE2 3.76Å; I33-F35 HydrophobicContact CG2-CZ 3.89Å; I33-P44 HydrophobicContact CG2-CB 4.01Å; I33-K45 CarbonylContact C-O 3.49Å; I33-K45 WeakPolarHBondContact CA-O 3.15Å; I33-V46 HydrophobicContact CG1-CG1 4.15Å; I33-V46 HydrophobicContact CG1-CG2 4.23Å; I33-V46 HydrophobicContact CG2-CG2 4.35Å; I33-I78 HydrophobicContact CD1-CG2 4.01Å; I33-I78 HydrophobicContact CG2-CD1 4.25Å; I33-L82 HydrophobicContact CD1-CD2 4.32Å
34T98.4Very high97.8Very high55 Ų5552 Ų5234%0.33728%0.28SS..EExtended strand (participates in β ladder)trans-124.3128.1178.5-48.30000109.5Y10 P44 K45Y10-T34 WeakPolarHBondContact O-CA 3.35Å; T34-P44 CarbonylContact O-C 3.36Å; T34-P44 WeakPolarHBondContact O-CA 3.28Å; T34-K45 PolarHBondContact N-O 2.77Å; T34-K45 PolarHBondContact O-N 3.4Å
35F97.9Very high97.7Very high22 Ų2258.4 Ų58.410%0.09631%0.308CS..  trans-97.8144.7176.6-58.7-95.9000109.3Y10 W12 I33 Y39 P44 I78Y10-F35 HydrophobicContact CD1-CB 3.76Å; Y10-F35 HydrophobicContact CG-CB 4.48Å; Y10-F35 WeakPolarHBondContact O-CD2 3.43Å; Y10-F35 PolarHBondContact O-N 2.93Å; W12-F35 HydrophobicContact CB-CE2 4.15Å; W12-F35 AromaticContact CD1-CE2 3.61Å; W12-F35 AromaticContact CD2-CE2 3.76Å; W12-F35 HydrophobicContact CD2-CE2 3.76Å; W12-F35 HydrophobicContact CD2-CZ 4.09Å; W12-F35 AromaticContact CE2-CE2 3.85Å; W12-F35 HydrophobicContact CE3-CE2 4.44Å; W12-F35 HydrophobicContact CE3-CZ 4.37Å; W12-F35 AromaticContact CG-CE2 3.63Å; W12-F35 HydrophobicContact CG-CE2 3.63Å; W12-F35 HydrophobicContact CG-CZ 4.4Å; W12-F35 AromaticContact NE1-CE2 3.72Å; I33-F35 HydrophobicContact CG2-CD2 4.38Å; I33-F35 HydrophobicContact CG2-CE2 3.76Å; I33-F35 HydrophobicContact CG2-CZ 3.89Å; F35-Y39 AromaticContact CD1-CD1 3.86Å; F35-Y39 HydrophobicContact CD1-CD1 3.86Å; F35-Y39 AromaticContact CD1-CD2 3.68Å; F35-Y39 HydrophobicContact CD1-CD2 3.68Å; F35-Y39 HydrophobicContact CD1-CE1 4.11Å; F35-Y39 AromaticContact CD1-CE2 3.95Å; F35-Y39 HydrophobicContact CD1-CE2 3.95Å; F35-Y39 AromaticContact CD1-CG 3.64Å; F35-Y39 HydrophobicContact CD1-CG 3.64Å; F35-Y39 HydrophobicContact CE1-CD1 4.26Å; F35-Y39 HydrophobicContact CE1-CD2 4.18Å; F35-Y39 HydrophobicContact CE1-CE1 4.03Å; F35-Y39 AromaticContact CE1-CE2 3.96Å; F35-Y39 HydrophobicContact CE1-CE2 3.96Å; F35-Y39 HydrophobicContact CE1-CG 4.33Å; F35-Y39 AromaticContact CE1-CZ 3.89Å; F35-P44 HydrophobicContact CD1-CB 4.03Å; F35-P44 HydrophobicContact CE1-CB 4.18Å; F35-I78 HydrophobicContact CE1-CD1 3.55Å; F35-I78 HydrophobicContact CE1-CG1 3.82Å; F35-I78 HydrophobicContact CZ-CD1 3.64Å; F35-I78 HydrophobicContact CZ-CG1 3.68Å
36T96.3Very high97.7Very high48 Ų4853.3 Ų53.329%0.29428%0.284SS..  trans-94.4163165.876.40000109.6E38 Y39T36-E38 WeakPolarHBondContact CB-OE2 3.5Å; T36-E38 PolarHBondContact O-N 3.15Å; T36-E38 PolarHBondContact OG1-N 3.1Å; T36-E38 PolarHBondContact OG1-OE2 3.21Å; T36-Y39 WeakPolarHBondContact O-CB 3.45Å; T36-Y39 PolarHBondContact O-N 2.85Å
37P96.8Very high97.8Very high106 Ų10651.7 Ų51.769%0.68826%0.262SS*.THydrogen-bonded Turntrans-57.5-17.4171.8-26.136.6000114Y39P37-Y39 VanDerWaalsContact C-N 3.32Å
38E96.8Very high97.8Very high78 Ų7852.1 Ų52.136%0.36426%0.264SS..THydrogen-bonded Turntrans-84.2-1.3177-52.792.2-137.300113.6T36 F41 K42T36-E38 WeakPolarHBondContact CB-OE2 3.5Å; T36-E38 PolarHBondContact O-N 3.15Å; T36-E38 PolarHBondContact OG1-N 3.1Å; T36-E38 PolarHBondContact OG1-OE2 3.21Å; E38-F41 WeakPolarHBondContact O-CA 3.39Å; E38-F41 WeakPolarHBondContact O-CB 3.42Å; E38-F41 PolarHBondContact O-N 2.81Å; E38-K42 HydrophobicContact CB-CB 4.17Å; E38-K42 HydrophobicContact CB-CD 4.08Å; E38-K42 HydrophobicContact CB-CG 3.9Å; E38-K42 HydrophobicContact CG-CD 4.34Å; E38-K42 PolarHBondContact O-N 3.46Å; E38-K42 VanDerWaalsContact O-N 3.15Å; E38-K42 VanDerWaalsContact OE2-CD 3.32Å; E38-K42 WeakPolarHBondContact OE2-CD 3.35Å; E38-K42 WeakPolarHBondContact OE2-CE 3.49Å; E38-K42 IonicContact OE2-NZ 2.83Å; E38-K42 PolarHBondContact OE2-NZ 3.08Å
39Y96.4Very high97.8Very high72 Ų7257.1 Ų57.128%0.28228%0.277SS..THydrogen-bonded Turntrans-63.2133.6173.4-176-96000110.3F35 T36 P37 P44 W72F35-Y39 AromaticContact CD1-CD1 3.86Å; F35-Y39 HydrophobicContact CD1-CD1 3.86Å; F35-Y39 AromaticContact CD1-CD2 3.68Å; F35-Y39 HydrophobicContact CD1-CD2 3.68Å; F35-Y39 HydrophobicContact CD1-CE1 4.11Å; F35-Y39 AromaticContact CD1-CE2 3.95Å; F35-Y39 HydrophobicContact CD1-CE2 3.95Å; F35-Y39 AromaticContact CD1-CG 3.64Å; F35-Y39 HydrophobicContact CD1-CG 3.64Å; F35-Y39 HydrophobicContact CE1-CD1 4.26Å; F35-Y39 HydrophobicContact CE1-CD2 4.18Å; F35-Y39 HydrophobicContact CE1-CE1 4.03Å; F35-Y39 AromaticContact CE1-CE2 3.96Å; F35-Y39 HydrophobicContact CE1-CE2 3.96Å; F35-Y39 HydrophobicContact CE1-CG 4.33Å; F35-Y39 AromaticContact CE1-CZ 3.89Å; T36-Y39 WeakPolarHBondContact O-CB 3.45Å; T36-Y39 PolarHBondContact O-N 2.85Å; P37-Y39 VanDerWaalsContact C-N 3.32Å; Y39-P44 HydrophobicContact CE2-CG 4.48Å; Y39-W72 HydrophobicContact CD2-CZ2 4.11Å; Y39-W72 AromaticContact CE2-CH2 3.68Å; Y39-W72 HydrophobicContact CE2-CH2 3.68Å; Y39-W72 AromaticContact CE2-CZ2 3.56Å; Y39-W72 HydrophobicContact CE2-CZ2 3.56Å
40P96.9Very high97.7Very high44 Ų4457.7 Ų57.729%0.28628%0.281SS..THydrogen-bonded Turncis-9611.411.338.2-36.7000115.6W72 P74P40-W72 PolarHBondContact O-NE1 3.09Å; P40-P74 HydrophobicContact CB-CB 4.19Å; P40-P74 HydrophobicContact CG-CB 4.17Å; P40-P74 WeakPolarHBondContact O-CA 3.44Å
41F96.9Very high97.7Very high165 Ų16561.3 Ų61.372%0.72429%0.292SS*.THydrogen-bonded Turntrans-75.6-24.1178.6-55.9-74.4000113.3E38 P74E38-F41 WeakPolarHBondContact O-CA 3.39Å; E38-F41 WeakPolarHBondContact O-CB 3.42Å; E38-F41 PolarHBondContact O-N 2.81Å; F41-P74 HydrophobicContact CD1-CG 4.04Å
42K96.5Very high97.7Very high109 Ų10962 Ų6247%0.47430%0.295SS..SBendtrans-110.7148164.7-68.4-167-165.8157.10111.6E38 W72E38-K42 HydrophobicContact CB-CB 4.17Å; E38-K42 HydrophobicContact CB-CD 4.08Å; E38-K42 HydrophobicContact CB-CG 3.9Å; E38-K42 HydrophobicContact CG-CD 4.34Å; E38-K42 PolarHBondContact O-N 3.46Å; E38-K42 VanDerWaalsContact O-N 3.15Å; E38-K42 VanDerWaalsContact OE2-CD 3.32Å; E38-K42 WeakPolarHBondContact OE2-CD 3.35Å; E38-K42 WeakPolarHBondContact OE2-CE 3.49Å; E38-K42 IonicContact OE2-NZ 2.83Å; E38-K42 PolarHBondContact OE2-NZ 3.08Å; K42-W72 VanDerWaalsContact C-NE1 3.35Å
43P97.5Very high97.8Very high37 Ų3762 Ų6224%0.2429%0.294CS..PPolyproline II helixtrans-64.8151.5176.425.4-32.1000111.5L68 W72P43-L68 WeakPolarHBondContact CG-O 3.4Å; P43-W72 HydrophobicContact CB-CB 3.93Å; P43-W72 HydrophobicContact CB-CD2 3.56Å; P43-W72 HydrophobicContact CB-CE3 3.84Å; P43-W72 HydrophobicContact CB-CG 3.58Å; P43-W72 HydrophobicContact CG-CB 4.08Å; P43-W72 HydrophobicContact CG-CD2 4.49Å; P43-W72 HydrophobicContact CG-CG 4.03Å
44P97.9Very high97.8Very high4 Ų462 Ų623%0.02629%0.294CS..PPolyproline II helixtrans-68.8147.7166.932.8-34.9000109.8I33 T34 F35 Y39 V46 I78I33-P44 HydrophobicContact CG2-CB 4.01Å; T34-P44 CarbonylContact O-C 3.36Å; T34-P44 WeakPolarHBondContact O-CA 3.28Å; F35-P44 HydrophobicContact CD1-CB 4.03Å; F35-P44 HydrophobicContact CE1-CB 4.18Å; Y39-P44 HydrophobicContact CE2-CG 4.48Å; P44-V46 HydrophobicContact CG-CG2 4.31Å; P44-V46 PolarHBondContact O-N 2.92Å; P44-I78 HydrophobicContact CB-CD1 4.21Å; P44-I78 HydrophobicContact CG-CD1 3.7Å
45K98Very high97.7Very high140 Ų14059.4 Ų59.461%0.60928%0.277SS*.EExtended strand (participates in β ladder)trans-79.8120.2168.3-178.5177.7177.8-179.70108.9I33 T34 T47I33-K45 CarbonylContact C-O 3.49Å; I33-K45 WeakPolarHBondContact CA-O 3.15Å; T34-K45 PolarHBondContact N-O 2.77Å; T34-K45 PolarHBondContact O-N 3.4Å; K45-T47 HydrophobicContact CG-CG2 4.43Å
46V98.4Very high97.8Very high8 Ų858.4 Ų58.45%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-118.3128.2177.4-171.80000109.6L31 D32 I33 P44 I63 L68 V81 I85L31-V46 HydrophobicContact CB-CG1 4.45Å; L31-V46 HydrophobicContact CD2-CG1 3.83Å; D32-V46 WeakPolarHBondContact O-CA 3.3Å; I33-V46 HydrophobicContact CG1-CG1 4.15Å; I33-V46 HydrophobicContact CG1-CG2 4.23Å; I33-V46 HydrophobicContact CG2-CG2 4.35Å; P44-V46 HydrophobicContact CG-CG2 4.31Å; P44-V46 PolarHBondContact O-N 2.92Å; V46-I63 HydrophobicContact CB-CD1 4.31Å; V46-I63 HydrophobicContact CG1-CD1 3.93Å; V46-L68 HydrophobicContact CB-CD1 4.13Å; V46-L68 HydrophobicContact CG2-CD1 4.42Å; V46-L68 HydrophobicContact CG2-CD2 3.97Å; V46-V81 HydrophobicContact CG2-CG1 4.15Å; V46-I85 HydrophobicContact CG1-CD1 3.8Å
47T98.4Very high97.9Very high29 Ų2956.2 Ų56.218%0.17826%0.26CS..EExtended strand (participates in β ladder)trans-137.6140.9179.251.90000111.8L31 D32 K45 R49 G61L31-T47 CarbonylContact C-O 3.6Å; L31-T47 VanDerWaalsContact CA-O 3.26Å; L31-T47 WeakPolarHBondContact CA-O 3.45Å; D32-T47 PolarHBondContact N-O 3.48Å; D32-T47 PolarHBondContact O-N 3.41Å; K45-T47 HydrophobicContact CG-CG2 4.43Å; T47-R49 PolarHBondContact O-N 3.23Å; T47-G61 CarbonylContact C-O 3.56Å; T47-G61 VanDerWaalsContact CA-O 3.24Å; T47-G61 WeakPolarHBondContact CA-O 3.25Å
48F98.6Very high97.9Very high10 Ų1053.1 Ų53.14%0.04424%0.237CC..EExtended strand (participates in β ladder)trans-69.2126169.5-86-105.6000110.6F29 L31 I52 I57 G61 I63 I85 L89F29-F48 HydrophobicContact CB-CD1 4.28Å; F29-F48 HydrophobicContact CB-CE1 3.85Å; F29-F48 HydrophobicContact CD1-CD1 4.35Å; F29-F48 HydrophobicContact CD1-CE1 4.1Å; F29-F48 HydrophobicContact CG-CE1 4.13Å; L31-F48 HydrophobicContact CD1-CE1 4.25Å; L31-F48 HydrophobicContact CD1-CZ 4.34Å; L31-F48 HydrophobicContact CD2-CD2 3.94Å; L31-F48 HydrophobicContact CD2-CE2 3.66Å; L31-F48 HydrophobicContact CD2-CG 4.5Å; L31-F48 HydrophobicContact CD2-CZ 4.01Å; L31-F48 HydrophobicContact CG-CD1 4.37Å; L31-F48 HydrophobicContact CG-CD2 4.19Å; L31-F48 HydrophobicContact CG-CE1 4.41Å; L31-F48 HydrophobicContact CG-CE2 4.22Å; L31-F48 HydrophobicContact CG-CG 4.26Å; L31-F48 HydrophobicContact CG-CZ 4.33Å; F48-I52 HydrophobicContact CD1-CG2 4.11Å; F48-I52 HydrophobicContact CE1-CD1 4.04Å; F48-I52 HydrophobicContact CG-CG2 4.41Å; F48-I57 HydrophobicContact CB-CG2 4.15Å; F48-I57 HydrophobicContact CD2-CD1 3.78Å; F48-I57 HydrophobicContact CD2-CG1 4.34Å; F48-I57 HydrophobicContact CD2-CG2 4Å; F48-I57 HydrophobicContact CE1-CD1 4.23Å; F48-I57 HydrophobicContact CE2-CD1 3.42Å; F48-I57 VanDerWaalsContact CE2-CD1 3.42Å; F48-I57 HydrophobicContact CE2-CG1 4.28Å; F48-I57 HydrophobicContact CG-CD1 4.33Å; F48-I57 HydrophobicContact CG-CG2 4.15Å; F48-I57 HydrophobicContact CZ-CD1 3.68Å; F48-G61 PolarHBondContact N-O 2.93Å; F48-G61 WeakPolarHBondContact O-CA 3.44Å; F48-I63 HydrophobicContact CD2-CD1 3.67Å; F48-I63 HydrophobicContact CD2-CG1 3.74Å; F48-I63 HydrophobicContact CE2-CD1 3.65Å; F48-I63 HydrophobicContact CE2-CG1 4Å; F48-I85 HydrophobicContact CE2-CG2 3.88Å; F48-I85 HydrophobicContact CZ-CG2 3.91Å; F48-L89 HydrophobicContact CZ-CD1 4.4Å; F48-L89 HydrophobicContact CZ-CD2 4.18Å
49R98.1Very high97.9Very high156 Ų15654.7 Ų54.759%0.58926%0.257SS*.SBendtrans-88.9-40168.2-173.3175.8-177.4-1661.3110.7R13 F30 T47R13-R49 VanDerWaalsContact NH1-NH1 3.12Å; F30-R49 HydrophobicContact CB-CB 4.3Å; F30-R49 WeakPolarHBondContact O-CA 3.19Å; F30-R49 WeakPolarHBondContact O-CB 2.96Å; F30-R49 PolarHBondContact O-N 3.11Å; T47-R49 PolarHBondContact O-N 3.23Å
50T98.5Very high97.9Very high14 Ų1457.6 Ų57.69%0.08627%0.273CS..SBendtrans-71.3129.3172.6-590000109.5F29 F30 Y124 A125F29-T50 HydrophobicContact CD1-CG2 3.8Å; F29-T50 HydrophobicContact CE1-CG2 4.33Å; F30-T50 PolarHBondContact N-OG1 2.84Å; F30-T50 PolarHBondContact O-N 2.85Å; T50-Y124 VanDerWaalsContact CG2-O 3.27Å; T50-Y124 WeakPolarHBondContact CG2-O 3.47Å; T50-A125 HydrophobicContact CG2-CB 3.8Å
51R98.4Very high98Very high161 Ų16155.8 Ų55.861%0.60826%0.262SS*.  trans-64.1138.1174.9-65.9-177.8-178.5-179.60.8110W120 Y124R51-W120 HydrophobicContact CB-CE3 4.47Å; R51-W120 HydrophobicContact CB-CZ3 4.22Å; R51-Y124 HydrophobicContact CB-CD2 4.14Å; R51-Y124 HydrophobicContact CB-CG 4.04Å
52I98.7Very high98Very high14 Ų1450.9 Ų50.97%0.07225%0.246CC..  trans-141.2147.8-178.2-168.7170.7000110.1Y24 F29 F48 H54 I57 L89Y24-I52 HydrophobicContact CD1-CD1 3.83Å; Y24-I52 HydrophobicContact CD1-CG1 3.99Å; Y24-I52 HydrophobicContact CE1-CD1 3.69Å; Y24-I52 HydrophobicContact CE1-CG1 3.6Å; Y24-I52 HydrophobicContact CG-CD1 4.42Å; F29-I52 HydrophobicContact CD1-CB 4.43Å; F29-I52 HydrophobicContact CD1-CD1 4.02Å; F29-I52 HydrophobicContact CD1-CG1 4.43Å; F29-I52 HydrophobicContact CE1-CB 4.13Å; F29-I52 HydrophobicContact CE1-CD1 3.68Å; F29-I52 HydrophobicContact CE1-CG1 3.83Å; F29-I52 HydrophobicContact CZ-CD1 4.17Å; F29-I52 HydrophobicContact CZ-CG1 4.5Å; F48-I52 HydrophobicContact CD1-CG2 4.11Å; F48-I52 HydrophobicContact CE1-CD1 4.04Å; F48-I52 HydrophobicContact CG-CG2 4.41Å; I52-H54 HydrophobicContact CD1-CB 4.41Å; I52-H54 HydrophobicContact CG1-CB 4.24Å; I52-H54 HydrophobicContact CG2-CB 4.31Å; I52-I57 HydrophobicContact CD1-CD1 4.22Å; I52-I57 HydrophobicContact CG2-CB 3.9Å; I52-I57 HydrophobicContact CG2-CD1 3.79Å; I52-I57 HydrophobicContact CG2-CG1 4.46Å; I52-I57 HydrophobicContact CG2-CG2 3.68Å; I52-L89 HydrophobicContact CD1-CD2 3.56Å
53Y98.6Very high98.1Very high29 Ų2946 Ų4611%0.11423%0.225CC..  trans-9892.7174.3-168.6-97.3000109Y24 I102 Q105 H113 M116 A117 W120Y24-Y53 PolarHBondContact OH-O 3.46Å; Y53-I102 HydrophobicContact CD1-CD1 4.44Å; Y53-I102 HydrophobicContact CD1-CG2 4.1Å; Y53-I102 HydrophobicContact CD2-CD1 3.83Å; Y53-I102 HydrophobicContact CD2-CG1 4.41Å; Y53-I102 HydrophobicContact CE1-CD1 4.38Å; Y53-I102 HydrophobicContact CE1-CG1 4.19Å; Y53-I102 HydrophobicContact CE1-CG2 3.73Å; Y53-I102 HydrophobicContact CE2-CD1 3.72Å; Y53-I102 HydrophobicContact CE2-CG1 3.82Å; Y53-I102 HydrophobicContact CG-CD1 4.19Å; Y53-Q105 PolarHBondContact OH-OE1 3.12Å; Y53-H113 AromaticContact CE1-CD2 3.86Å; Y53-M116 HydrophobicContact CD1-CB 4.15Å; Y53-M116 HydrophobicContact CE1-CB 3.87Å; Y53-M116 HydrophobicContact CE2-CE 4.41Å; Y53-A117 HydrophobicContact CD1-CB 4.12Å; Y53-W120 HydrophobicContact CD2-CD2 4.16Å; Y53-W120 AromaticContact CD2-CE2 3.95Å; Y53-W120 HydrophobicContact CD2-CG 4.49Å; Y53-W120 HydrophobicContact CD2-CZ2 4.23Å; Y53-W120 HydrophobicContact CG-CD2 4.44Å; Y53-W120 HydrophobicContact CG-CG 4.46Å
54H98.7Very high98Very high1 Ų144.8 Ų44.81%0.00522%0.217CC..BIsolated β-bridgetrans-148.5138-173.3-170-71.9000110.1Y24 I52 N56 I57 L88 C92Y24-H54 AromaticContact CE2-CD2 3.87Å; Y24-H54 AromaticContact CZ-CD2 3.69Å; Y24-H54 PolarHBondContact OH-CD2 2.58Å; I52-H54 HydrophobicContact CD1-CB 4.41Å; I52-H54 HydrophobicContact CG1-CB 4.24Å; I52-H54 HydrophobicContact CG2-CB 4.31Å; H54-N56 PolarHBondContact CE1-OD1 2.85Å; H54-N56 PolarHBondContact ND1-N 3.06Å; H54-N56 PolarHBondContact O-N 3.24Å; H54-I57 HydrophobicContact CB-CB 4.12Å; H54-I57 HydrophobicContact CB-CD1 3.97Å; H54-I57 HydrophobicContact CB-CG1 4.19Å; H54-I57 PolarHBondContact O-N 2.84Å; H54-L88 PolarHBondContact NE2-O 2.91Å; H54-L88 VanDerWaalsContact NE2-O 3.08Å; H54-C92 VanDerWaalsContact CE1-CB 3.48Å; H54-C92 WeakPolarHBondContact CE1-CB 3.41Å
55C98.3Very high97.9Very high0 Ų045.5 Ų45.50%022%0.221CC..THydrogen-bonded Turntrans-70.5-30.4-174.761.60000113.9P97 L98 V99 I102 A103C55-P97 HydrophobicContact CB-CB 4.24Å; C55-L98 PolarHBondContact O-N 3.17Å; C55-V99 PolarHBondContact O-N 3.24Å; C55-I102 HydrophobicContact CB-CB 4.07Å; C55-I102 HydrophobicContact CB-CG2 3.94Å; C55-A103 HydrophobicContact CB-CB 3.85Å
56N98.6Very high97.6Very high1 Ų142.7 Ų42.71%0.00521%0.212CC..THydrogen-bonded Turntrans-89.46.8174.8-47.5102.4000114.5H54 I63 C64 L88 N93 D96 L98H54-N56 PolarHBondContact CE1-OD1 2.85Å; H54-N56 PolarHBondContact ND1-N 3.06Å; H54-N56 PolarHBondContact O-N 3.24Å; N56-I63 WeakPolarHBondContact O-CA 3.26Å; N56-C64 HydrophobicContact CB-CB 4.41Å; N56-C64 PolarHBondContact O-N 3.12Å; N56-L88 HydrophobicContact CB-CD1 4.38Å; N56-L88 HydrophobicContact CB-CD2 4.07Å; N56-N93 PolarHBondContact ND2-O 3.23Å; N56-N93 PolarHBondContact OD1-N 3.42Å; N56-D96 PolarHBondContact ND2-O 3.29Å; N56-L98 WeakPolarHBondContact O-CD1 3.47Å
57I98.6Very high97.4Very high2 Ų243.3 Ų43.31%0.0122%0.215CC..BIsolated β-bridgetrans-130118.2178.3-52.5165.4000109.1F48 I52 H54 V62 I63 L89F48-I57 HydrophobicContact CB-CG2 4.15Å; F48-I57 HydrophobicContact CD2-CD1 3.78Å; F48-I57 HydrophobicContact CD2-CG1 4.34Å; F48-I57 HydrophobicContact CD2-CG2 4Å; F48-I57 HydrophobicContact CE1-CD1 4.23Å; F48-I57 HydrophobicContact CE2-CD1 3.42Å; F48-I57 VanDerWaalsContact CE2-CD1 3.42Å; F48-I57 HydrophobicContact CE2-CG1 4.28Å; F48-I57 HydrophobicContact CG-CD1 4.33Å; F48-I57 HydrophobicContact CG-CG2 4.15Å; F48-I57 HydrophobicContact CZ-CD1 3.68Å; I52-I57 HydrophobicContact CD1-CD1 4.22Å; I52-I57 HydrophobicContact CG2-CB 3.9Å; I52-I57 HydrophobicContact CG2-CD1 3.79Å; I52-I57 HydrophobicContact CG2-CG1 4.46Å; I52-I57 HydrophobicContact CG2-CG2 3.68Å; H54-I57 HydrophobicContact CB-CB 4.12Å; H54-I57 HydrophobicContact CB-CD1 3.97Å; H54-I57 HydrophobicContact CB-CG1 4.19Å; H54-I57 PolarHBondContact O-N 2.84Å; I57-V62 VanDerWaalsContact CA-O 3.29Å; I57-V62 WeakPolarHBondContact CA-O 3.29Å; I57-I63 HydrophobicContact CG1-CG1 4.44Å; I57-I63 HydrophobicContact CG1-CG2 4.45Å; I57-L89 HydrophobicContact CD1-CD2 4.08Å
58N97.7Very high97.3Very high41 Ų4143 Ų4322%0.21921%0.212CC..  trans-85179.4-177.775.37.5000113.1Q60 G61 V62 L98 V99N58-Q60 VanDerWaalsContact CG-OE1 3.26Å; N58-Q60 PolarHBondContact ND2-OE1 3.01Å; N58-Q60 PolarHBondContact O-N 2.82Å; N58-Q60 PolarHBondContact OD1-N 2.87Å; N58-Q60 VanDerWaalsContact OD1-N 3.12Å; N58-Q60 PolarHBondContact OD1-OE1 3.12Å; N58-G61 WeakPolarHBondContact O-CA 3.36Å; N58-G61 PolarHBondContact O-N 2.88Å; N58-G61 PolarHBondContact OD1-N 2.87Å; N58-V62 PolarHBondContact N-O 2.65Å; N58-V62 VanDerWaalsContact N-O 3.09Å; N58-V62 WeakPolarHBondContact OD1-CB 3.5Å; N58-V62 PolarHBondContact OD1-N 2.91Å; N58-L98 HydrophobicContact CB-CB 4.23Å; N58-L98 HydrophobicContact CB-CD1 4.39Å; N58-V99 HydrophobicContact CB-CG2 4.13Å
59S96.3Very high96.9Very high112 Ų11247.6 Ų47.678%0.78323%0.232SC*.THydrogen-bonded Turntrans-66.7-20-176.957.80000114.4G61S59-G61 VanDerWaalsContact C-N 3.31Å
60Q97.3Very high96.6Very high133 Ų13347.4 Ų47.462%0.62124%0.243SC*.THydrogen-bonded Turntrans-88.11.8171.6-59.886.7-6.700112.8N58 V62N58-Q60 VanDerWaalsContact CG-OE1 3.26Å; N58-Q60 PolarHBondContact ND2-OE1 3.01Å; N58-Q60 PolarHBondContact O-N 2.82Å; N58-Q60 PolarHBondContact OD1-N 2.87Å; N58-Q60 VanDerWaalsContact OD1-N 3.12Å; N58-Q60 PolarHBondContact OD1-OE1 3.12Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 HydrophobicContact CB-CG2 4.44Å; Q60-V62 PolarHBondContact O-N 2.9Å
61G97.8Very high96.5Very high5 Ų551.4 Ų51.45%0.05226%0.264CS..  trans77.511.5179.400000114.7T47 F48 N58 S59T47-G61 CarbonylContact C-O 3.56Å; T47-G61 VanDerWaalsContact CA-O 3.24Å; T47-G61 WeakPolarHBondContact CA-O 3.25Å; F48-G61 PolarHBondContact N-O 2.93Å; F48-G61 WeakPolarHBondContact O-CA 3.44Å; N58-G61 WeakPolarHBondContact O-CA 3.36Å; N58-G61 PolarHBondContact O-N 2.88Å; N58-G61 PolarHBondContact OD1-N 2.87Å; S59-G61 VanDerWaalsContact C-N 3.31Å
62V97.9Very high96.4Very high62 Ų6245.1 Ų45.138%0.37624%0.24SC..BIsolated β-bridgetrans-67.7135.9173.4-179.90000108.7I57 N58 Q60 L98I57-V62 VanDerWaalsContact CA-O 3.29Å; I57-V62 WeakPolarHBondContact CA-O 3.29Å; N58-V62 PolarHBondContact N-O 2.65Å; N58-V62 VanDerWaalsContact N-O 3.09Å; N58-V62 WeakPolarHBondContact OD1-CB 3.5Å; N58-V62 PolarHBondContact OD1-N 2.91Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 HydrophobicContact CB-CG2 4.44Å; Q60-V62 PolarHBondContact O-N 2.9Å; V62-L98 HydrophobicContact CB-CD1 4.38Å; V62-L98 HydrophobicContact CG1-CD1 4.2Å; V62-L98 WeakPolarHBondContact O-CD1 3.41Å
63I98Very high96.4Very high8 Ų846.9 Ų46.94%0.04125%0.253CS..BIsolated β-bridgetrans-104.8130.3-178-49.6171.2000108.5L31 V46 F48 N56 I57 L65 L68 I85 L88L31-I63 HydrophobicContact CD2-CD1 4.3Å; V46-I63 HydrophobicContact CB-CD1 4.31Å; V46-I63 HydrophobicContact CG1-CD1 3.93Å; F48-I63 HydrophobicContact CD2-CD1 3.67Å; F48-I63 HydrophobicContact CD2-CG1 3.74Å; F48-I63 HydrophobicContact CE2-CD1 3.65Å; F48-I63 HydrophobicContact CE2-CG1 4Å; N56-I63 WeakPolarHBondContact O-CA 3.26Å; I57-I63 HydrophobicContact CG1-CG1 4.44Å; I57-I63 HydrophobicContact CG1-CG2 4.45Å; I63-L65 HydrophobicContact CG2-CB 3.94Å; I63-L65 PolarHBondContact O-N 3.13Å; I63-L68 HydrophobicContact CB-CD1 4.37Å; I63-I85 HydrophobicContact CD1-CD1 3.84Å; I63-I85 HydrophobicContact CD1-CG1 4.29Å; I63-L88 HydrophobicContact CG2-CD2 3.94Å
64C95.8Very high96.3Very high11 Ų1148.7 Ų48.77%0.07427%0.269CS..  trans-89.2102.9162.6-157.90000108.8N56 D96 L98N56-C64 HydrophobicContact CB-CB 4.41Å; N56-C64 PolarHBondContact O-N 3.12Å; C64-D96 PolarHBondContact SG-OD2 2.96Å; C64-L98 HydrophobicContact CB-CD1 3.93Å; C64-L98 HydrophobicContact CB-CD2 3.89Å; C64-L98 HydrophobicContact CB-CG 3.62Å
65L94.4Very high96.2Very high19 Ų1951.9 Ų51.910%0.09930%0.295CS..  trans-144124.5175-175.864.5000106.7I63 I67 L68 I85I63-L65 HydrophobicContact CG2-CB 3.94Å; I63-L65 PolarHBondContact O-N 3.13Å; L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 HydrophobicContact CD1-CG1 4.47Å; L65-I67 HydrophobicContact CD2-CD1 4.03Å; L65-I67 HydrophobicContact CD2-CG1 3.7Å; L65-I67 HydrophobicContact CG-CG1 3.69Å; L65-I67 PolarHBondContact O-N 3.31Å; L65-L68 HydrophobicContact CB-CD1 4.18Å; L65-L68 HydrophobicContact CB-CG 4.34Å; L65-L68 HydrophobicContact CD2-CD1 4.32Å; L65-L68 HydrophobicContact CD2-CG 4.34Å; L65-L68 WeakPolarHBondContact O-CB 3.26Å; L65-L68 PolarHBondContact O-N 3.06Å; L65-I85 HydrophobicContact CD2-CG1 3.88Å
66D92.5Very high96.2Very high81 Ų8153.5 Ų53.543%0.43330%0.304SS..G310 helixtrans-59.4-38.6-172.764.9-31.6000113.1L68 K69 D70 N71D66-L68 PolarHBondContact O-N 2.83Å; D66-L68 VanDerWaalsContact O-N 3.16Å; D66-K69 CarbonylContact O-C 3.57Å; D66-K69 WeakPolarHBondContact O-CA 3.43Å; D66-K69 PolarHBondContact O-N 3.03Å; D66-D70 PolarHBondContact O-N 2.87Å; D66-N71 HydrophobicContact CB-CB 4.22Å; D66-N71 PolarHBondContact O-N 2.9Å; D66-N71 PolarHBondContact OD2-ND2 3.47Å
67I95.3Very high96.1Very high21 Ų2156.4 Ų56.411%0.10832%0.321CS..G310 helixtrans-67.1-12.517763.6157.7000113.2L65 K69 N71 W72 L76 V81L65-I67 VanDerWaalsContact C-N 3.32Å; L65-I67 HydrophobicContact CD1-CG1 4.47Å; L65-I67 HydrophobicContact CD2-CD1 4.03Å; L65-I67 HydrophobicContact CD2-CG1 3.7Å; L65-I67 HydrophobicContact CG-CG1 3.69Å; L65-I67 PolarHBondContact O-N 3.31Å; I67-K69 VanDerWaalsContact C-N 3.34Å; I67-N71 HydrophobicContact CG2-CB 4.38Å; I67-W72 WeakPolarHBondContact O-CA 3.14Å; I67-W72 WeakPolarHBondContact O-CB 3.24Å; I67-W72 VanDerWaalsContact O-CE3 3.29Å; I67-L76 HydrophobicContact CB-CD1 3.83Å; I67-L76 HydrophobicContact CG2-CD1 4.07Å; I67-V81 HydrophobicContact CD1-CB 4.49Å; I67-V81 HydrophobicContact CD1-CG2 4.14Å
68L94.7Very high96Very high23 Ų2357.1 Ų57.112%0.1233%0.325CS..G310 helixtrans-92.53.1171.3-64177.7000112.6P43 V46 I63 L65 D66 V81P43-L68 WeakPolarHBondContact CG-O 3.4Å; V46-L68 HydrophobicContact CB-CD1 4.13Å; V46-L68 HydrophobicContact CG2-CD1 4.42Å; V46-L68 HydrophobicContact CG2-CD2 3.97Å; I63-L68 HydrophobicContact CB-CD1 4.37Å; L65-L68 HydrophobicContact CB-CD1 4.18Å; L65-L68 HydrophobicContact CB-CG 4.34Å; L65-L68 HydrophobicContact CD2-CD1 4.32Å; L65-L68 HydrophobicContact CD2-CG 4.34Å; L65-L68 WeakPolarHBondContact O-CB 3.26Å; L65-L68 PolarHBondContact O-N 3.06Å; D66-L68 PolarHBondContact O-N 2.83Å; D66-L68 VanDerWaalsContact O-N 3.16Å; L68-V81 HydrophobicContact CD2-CG1 3.77Å; L68-V81 HydrophobicContact CD2-CG2 4.47Å
69K91.2Very high96Very high105 Ų10559.1 Ų59.146%0.45734%0.342SS..THydrogen-bonded Turntrans-135.8-110.2-178-61.7-179.7-176.9172.70109.9D66 I67 N71 W72D66-K69 CarbonylContact O-C 3.57Å; D66-K69 WeakPolarHBondContact O-CA 3.43Å; D66-K69 PolarHBondContact O-N 3.03Å; I67-K69 VanDerWaalsContact C-N 3.34Å; K69-N71 PolarHBondContact O-N 3.1Å; K69-W72 PolarHBondContact O-N 2.92Å
70D91.8Very high96Very high152 Ų15258.6 Ų58.681%0.81333%0.326SS*.THydrogen-bonded Turntrans-75-25.4-167.6-54.1-44000113D66D66-D70 PolarHBondContact O-N 2.87Å
71N95.7Very high96Very high98 Ų9852.3 Ų52.352%0.52430%0.297SS..THydrogen-bonded Turntrans-98.415.9178.9-72.6-17.4000112.9D66 I67 K69D66-N71 HydrophobicContact CB-CB 4.22Å; D66-N71 PolarHBondContact O-N 2.9Å; D66-N71 PolarHBondContact OD2-ND2 3.47Å; I67-N71 HydrophobicContact CG2-CB 4.38Å; K69-N71 PolarHBondContact O-N 3.1Å
72W97.6Very high96Very high30 Ų3053.1 Ų53.111%0.11430%0.3CS..  trans-65.4137171.8176.2-104.8000110.7Y39 P40 K42 P43 I67 K69 L76 V81Y39-W72 HydrophobicContact CD2-CZ2 4.11Å; Y39-W72 AromaticContact CE2-CH2 3.68Å; Y39-W72 HydrophobicContact CE2-CH2 3.68Å; Y39-W72 AromaticContact CE2-CZ2 3.56Å; Y39-W72 HydrophobicContact CE2-CZ2 3.56Å; P40-W72 PolarHBondContact O-NE1 3.09Å; K42-W72 VanDerWaalsContact C-NE1 3.35Å; P43-W72 HydrophobicContact CB-CB 3.93Å; P43-W72 HydrophobicContact CB-CD2 3.56Å; P43-W72 HydrophobicContact CB-CE3 3.84Å; P43-W72 HydrophobicContact CB-CG 3.58Å; P43-W72 HydrophobicContact CG-CB 4.08Å; P43-W72 HydrophobicContact CG-CD2 4.49Å; P43-W72 HydrophobicContact CG-CG 4.03Å; I67-W72 WeakPolarHBondContact O-CA 3.14Å; I67-W72 WeakPolarHBondContact O-CB 3.24Å; I67-W72 VanDerWaalsContact O-CE3 3.29Å; K69-W72 PolarHBondContact O-N 2.92Å; W72-L76 HydrophobicContact CE3-CB 4.06Å; W72-L76 HydrophobicContact CE3-CD1 3.85Å; W72-L76 HydrophobicContact CH2-CB 3.96Å; W72-L76 HydrophobicContact CZ3-CB 3.59Å; W72-L76 HydrophobicContact CZ3-CD1 4.16Å; W72-V81 HydrophobicContact CZ3-CG2 3.83Å
73S97.5Very high96Very high50 Ų5056 Ų5635%0.3531%0.312SS..  trans-133.2140.6172.6174.60000109.3A75 L76S73-A75 PolarHBondContact O-N 2.94Å; S73-A75 PolarHBondContact OG-N 3.18Å; S73-L76 VanDerWaalsContact O-CB 3.32Å; S73-L76 WeakPolarHBondContact O-CB 3.48Å; S73-L76 PolarHBondContact O-N 2.91Å
74P96.8Very high96Very high68 Ų6857.6 Ų57.644%0.44233%0.325SS..THydrogen-bonded Turntrans-57.2-15.3173.1-24.533.6000114.6P40 F41 L76P40-P74 HydrophobicContact CB-CB 4.19Å; P40-P74 HydrophobicContact CG-CB 4.17Å; P40-P74 WeakPolarHBondContact O-CA 3.44Å; F41-P74 HydrophobicContact CD1-CG 4.04Å; P74-L76 VanDerWaalsContact C-N 3.3Å
75A97Very high96.1Very high68 Ų6857.1 Ų57.156%0.56232%0.321SS*.THydrogen-bonded Turntrans-80.3-7.4173.800000114S73 K80S73-A75 PolarHBondContact O-N 2.94Å; S73-A75 PolarHBondContact OG-N 3.18Å; A75-K80 PolarHBondContact O-NZ 3.34Å
76L97.3Very high96.2Very high33 Ų3358 Ų5817%0.17333%0.329CS..  trans-81.8138.9173-66176.4000110.4I67 W72 S73 P74 K80I67-L76 HydrophobicContact CB-CD1 3.83Å; I67-L76 HydrophobicContact CG2-CD1 4.07Å; W72-L76 HydrophobicContact CE3-CB 4.06Å; W72-L76 HydrophobicContact CE3-CD1 3.85Å; W72-L76 HydrophobicContact CH2-CB 3.96Å; W72-L76 HydrophobicContact CZ3-CB 3.59Å; W72-L76 HydrophobicContact CZ3-CD1 4.16Å; S73-L76 VanDerWaalsContact O-CB 3.32Å; S73-L76 WeakPolarHBondContact O-CB 3.48Å; S73-L76 PolarHBondContact O-N 2.91Å; P74-L76 VanDerWaalsContact C-N 3.3Å; L76-K80 HydrophobicContact CD2-CB 4.39Å; L76-K80 HydrophobicContact CD2-CD 3.94Å
77T96.6Very high96.4Very high62 Ų6257.5 Ų57.538%0.3833%0.331SS..  trans-110.5162.1177.866.10000110.1S79 K80 V81T77-S79 PolarHBondContact O-N 3.25Å; T77-K80 WeakPolarHBondContact O-CB 3.29Å; T77-K80 PolarHBondContact O-N 2.84Å; T77-K80 PolarHBondContact OG1-N 3.33Å; T77-V81 PolarHBondContact O-N 2.81Å
78I97.3Very high96.5Very high17 Ų1757.3 Ų57.39%0.08733%0.33CS..Hα-helixtrans-56.7-37.1174.4-62.8-57000112W12 I33 F35 P44 K80 V81 L82W12-I78 HydrophobicContact CZ3-CG2 4.36Å; I33-I78 HydrophobicContact CD1-CG2 4.01Å; I33-I78 HydrophobicContact CG2-CD1 4.25Å; F35-I78 HydrophobicContact CE1-CD1 3.55Å; F35-I78 HydrophobicContact CE1-CG1 3.82Å; F35-I78 HydrophobicContact CZ-CD1 3.64Å; F35-I78 HydrophobicContact CZ-CG1 3.68Å; P44-I78 HydrophobicContact CB-CD1 4.21Å; P44-I78 HydrophobicContact CG-CD1 3.7Å; I78-K80 VanDerWaalsContact C-N 3.35Å; I78-K80 PolarHBondContact O-N 2.89Å; I78-V81 PolarHBondContact O-N 3.36Å; I78-L82 HydrophobicContact CG2-CD1 3.86Å; I78-L82 HydrophobicContact CG2-CG 4.2Å; I78-L82 WeakPolarHBondContact O-CB 3.39Å; I78-L82 VanDerWaalsContact O-CG 3.29Å; I78-L82 WeakPolarHBondContact O-CG 3.4Å; I78-L82 PolarHBondContact O-N 3.29Å
79S96.6Very high96.7Very high83 Ų8356.4 Ų56.458%0.5833%0.326SS*.Hα-helixtrans-60.2-43.7174.7-51.50000112T77 L82 L83T77-S79 PolarHBondContact O-N 3.25Å; S79-L82 PolarHBondContact O-N 3.17Å; S79-L83 WeakPolarHBondContact O-CB 3.19Å; S79-L83 VanDerWaalsContact O-CG 3.28Å; S79-L83 WeakPolarHBondContact O-CG 3.42Å; S79-L83 PolarHBondContact O-N 3.27Å
80K97Very high96.9Very high101 Ų10154.6 Ų54.644%0.43932%0.323SS..Hα-helixtrans-64.9-42.9175.9-70.1178.4-178.4174.30111.6A75 L76 T77 I78 L82 L83 S84A75-K80 PolarHBondContact O-NZ 3.34Å; L76-K80 HydrophobicContact CD2-CB 4.39Å; L76-K80 HydrophobicContact CD2-CD 3.94Å; T77-K80 WeakPolarHBondContact O-CB 3.29Å; T77-K80 PolarHBondContact O-N 2.84Å; T77-K80 PolarHBondContact OG1-N 3.33Å; I78-K80 VanDerWaalsContact C-N 3.35Å; I78-K80 PolarHBondContact O-N 2.89Å; K80-L82 PolarHBondContact O-N 3.46Å; K80-L83 PolarHBondContact O-N 3.43Å; K80-S84 PolarHBondContact O-N 2.84Å; K80-S84 PolarHBondContact O-OG 3.21Å
81V97.9Very high97Very high1 Ų152.5 Ų52.51%0.00631%0.312CS..Hα-helixtrans-58.1-48.1175.8171.30000111.2V46 I67 L68 W72 T77 I78 L83 S84 I85V46-V81 HydrophobicContact CG2-CG1 4.15Å; I67-V81 HydrophobicContact CD1-CB 4.49Å; I67-V81 HydrophobicContact CD1-CG2 4.14Å; L68-V81 HydrophobicContact CD2-CG1 3.77Å; L68-V81 HydrophobicContact CD2-CG2 4.47Å; W72-V81 HydrophobicContact CZ3-CG2 3.83Å; T77-V81 PolarHBondContact O-N 2.81Å; I78-V81 PolarHBondContact O-N 3.36Å; V81-L83 PolarHBondContact O-N 3.34Å; V81-S84 PolarHBondContact O-N 3.03Å; V81-I85 HydrophobicContact CG1-CD1 4.06Å; V81-I85 WeakPolarHBondContact O-CG1 3.42Å; V81-I85 PolarHBondContact O-N 3.44Å
82L97.9Very high96.9Very high23 Ų2348.7 Ų48.712%0.1229%0.293CS..Hα-helixtrans-65.4-38179.3-68.2173.3000112.1A2 S14 I16 I33 I78 S79 K80 I85 C86A2-L82 HydrophobicContact CB-CD1 3.73Å; S14-L82 VanDerWaalsContact OG-CD2 3.3Å; S14-L82 WeakPolarHBondContact OG-CD2 3.38Å; I16-L82 HydrophobicContact CD1-CD2 4.06Å; I16-L82 HydrophobicContact CG1-CD2 4.44Å; I33-L82 HydrophobicContact CD1-CD2 4.32Å; I78-L82 HydrophobicContact CG2-CD1 3.86Å; I78-L82 HydrophobicContact CG2-CG 4.2Å; I78-L82 WeakPolarHBondContact O-CB 3.39Å; I78-L82 VanDerWaalsContact O-CG 3.29Å; I78-L82 WeakPolarHBondContact O-CG 3.4Å; I78-L82 PolarHBondContact O-N 3.29Å; S79-L82 PolarHBondContact O-N 3.17Å; K80-L82 PolarHBondContact O-N 3.46Å; L82-I85 PolarHBondContact O-N 3.1Å; L82-C86 PolarHBondContact O-N 2.88Å; L82-C86 PolarHBondContact O-SG 2.78Å
83L96.9Very high96.8Very high121 Ų12150.8 Ų50.863%0.63431%0.307SS*.Hα-helixtrans-62.3-43.1173.5-75.9170.4000111.9S79 K80 V81 I85 C86 S87S79-L83 WeakPolarHBondContact O-CB 3.19Å; S79-L83 VanDerWaalsContact O-CG 3.28Å; S79-L83 WeakPolarHBondContact O-CG 3.42Å; S79-L83 PolarHBondContact O-N 3.27Å; K80-L83 PolarHBondContact O-N 3.43Å; V81-L83 PolarHBondContact O-N 3.34Å; L83-I85 VanDerWaalsContact C-N 3.33Å; L83-I85 PolarHBondContact O-N 3.02Å; L83-C86 WeakPolarHBondContact O-CB 3.4Å; L83-C86 PolarHBondContact O-N 3.42Å; L83-S87 PolarHBondContact O-N 3.04Å
84S97.4Very high96.7Very high43 Ų4349.8 Ų49.830%0.30130%0.299SS..Hα-helixtrans-63.2-38.4175.1-63.60000112.1K80 V81 S87 L88K80-S84 PolarHBondContact O-N 2.84Å; K80-S84 PolarHBondContact O-OG 3.21Å; V81-S84 PolarHBondContact O-N 3.03Å; S84-S87 PolarHBondContact O-N 3.07Å; S84-L88 WeakPolarHBondContact O-CB 3.43Å; S84-L88 PolarHBondContact O-N 3.3Å
85I98Very high96.6Very high1 Ų150.9 Ų50.91%0.00531%0.314CS..Hα-helixtrans-64.4-43.3173.2-65.8166.1000110.7I16 L31 V46 F48 I63 L65 V81 L82 L83 S87 L88 L89I16-I85 HydrophobicContact CD1-CB 4.06Å; I16-I85 HydrophobicContact CD1-CG2 3.58Å; L31-I85 HydrophobicContact CD2-CD1 4.06Å; L31-I85 HydrophobicContact CD2-CG2 4.29Å; V46-I85 HydrophobicContact CG1-CD1 3.8Å; F48-I85 HydrophobicContact CE2-CG2 3.88Å; F48-I85 HydrophobicContact CZ-CG2 3.91Å; I63-I85 HydrophobicContact CD1-CD1 3.84Å; I63-I85 HydrophobicContact CD1-CG1 4.29Å; L65-I85 HydrophobicContact CD2-CG1 3.88Å; V81-I85 HydrophobicContact CG1-CD1 4.06Å; V81-I85 WeakPolarHBondContact O-CG1 3.42Å; V81-I85 PolarHBondContact O-N 3.44Å; L82-I85 PolarHBondContact O-N 3.1Å; L83-I85 VanDerWaalsContact C-N 3.33Å; L83-I85 PolarHBondContact O-N 3.02Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 3.1Å; I85-L88 WeakPolarHBondContact O-CB 3.43Å; I85-L88 PolarHBondContact O-N 3.23Å; I85-L89 WeakPolarHBondContact O-CG 3.45Å; I85-L89 PolarHBondContact O-N 3.1Å
86C97.1Very high96.4Very high38 Ų3851.8 Ų51.826%0.25731%0.309SS..Hα-helixtrans-59.3-42.4174.3-68.90000111.8L82 L83 L88 L89 T90L82-C86 PolarHBondContact O-N 2.88Å; L82-C86 PolarHBondContact O-SG 2.78Å; L83-C86 WeakPolarHBondContact O-CB 3.4Å; L83-C86 PolarHBondContact O-N 3.42Å; C86-L88 VanDerWaalsContact C-N 3.32Å; C86-L88 PolarHBondContact O-N 2.68Å; C86-L89 PolarHBondContact O-N 2.91Å; C86-T90 PolarHBondContact O-N 3.05Å; C86-T90 PolarHBondContact O-OG1 3.31Å
87S96.9Very high96.3Very high70 Ų7052.4 Ų52.449%0.4932%0.315SS..Hα-helixtrans-62.6-40.1175.6-165.70000111.8L83 S84 I85 L89 T90 D91L83-S87 PolarHBondContact O-N 3.04Å; S84-S87 PolarHBondContact O-N 3.07Å; I85-S87 VanDerWaalsContact C-N 3.31Å; I85-S87 PolarHBondContact O-N 3.1Å; S87-L89 VanDerWaalsContact C-N 3.29Å; S87-L89 PolarHBondContact O-N 3.42Å; S87-T90 WeakPolarHBondContact O-CB 3.49Å; S87-T90 PolarHBondContact O-N 2.89Å; S87-T90 VanDerWaalsContact O-N 3.12Å; S87-D91 PolarHBondContact O-N 2.81Å
88L97.4Very high96.3Very high16 Ų1652.5 Ų52.58%0.08431%0.313CS..Hα-helixtrans-63.1-35.6176.7-173.567.9000112H54 N56 I63 S84 I85 C86 T90 D91 C92H54-L88 PolarHBondContact NE2-O 2.91Å; H54-L88 VanDerWaalsContact NE2-O 3.08Å; N56-L88 HydrophobicContact CB-CD1 4.38Å; N56-L88 HydrophobicContact CB-CD2 4.07Å; I63-L88 HydrophobicContact CG2-CD2 3.94Å; S84-L88 WeakPolarHBondContact O-CB 3.43Å; S84-L88 PolarHBondContact O-N 3.3Å; I85-L88 WeakPolarHBondContact O-CB 3.43Å; I85-L88 PolarHBondContact O-N 3.23Å; C86-L88 VanDerWaalsContact C-N 3.32Å; C86-L88 PolarHBondContact O-N 2.68Å; L88-T90 VanDerWaalsContact C-N 3.3Å; L88-D91 CarbonylContact O-C 3.53Å; L88-D91 PolarHBondContact O-N 3.22Å; L88-C92 WeakPolarHBondContact O-CA 3.3Å; L88-C92 PolarHBondContact O-N 3.3Å
89L97.9Very high96.4Very high4 Ų453.2 Ų53.22%0.02132%0.318CS..Hα-helixtrans-68-29.3174.5-65.6-175.4000112.8I16 P19 Y24 F48 I52 I57 I85 C86 S87I16-L89 HydrophobicContact CG2-CD1 3.92Å; P19-L89 HydrophobicContact CG-CB 3.93Å; Y24-L89 HydrophobicContact CD2-CB 3.9Å; Y24-L89 HydrophobicContact CD2-CD2 4.25Å; Y24-L89 VanDerWaalsContact CD2-O 3.26Å; Y24-L89 WeakPolarHBondContact CD2-O 3.29Å; Y24-L89 HydrophobicContact CE2-CB 4.22Å; Y24-L89 HydrophobicContact CE2-CD2 4.15Å; Y24-L89 WeakPolarHBondContact CE2-O 3.48Å; F48-L89 HydrophobicContact CZ-CD1 4.4Å; F48-L89 HydrophobicContact CZ-CD2 4.18Å; I52-L89 HydrophobicContact CD1-CD2 3.56Å; I57-L89 HydrophobicContact CD1-CD2 4.08Å; I85-L89 WeakPolarHBondContact O-CG 3.45Å; I85-L89 PolarHBondContact O-N 3.1Å; C86-L89 PolarHBondContact O-N 2.91Å; S87-L89 VanDerWaalsContact C-N 3.29Å; S87-L89 PolarHBondContact O-N 3.42Å
90T95.9Very high96.4Very high67 Ų6751.1 Ų51.141%0.41131%0.31SS..Hα-helixtrans-75.1-47.7172.2-55.20000110.5P19 C86 S87 L88P19-T90 WeakPolarHBondContact CB-OG1 3.46Å; C86-T90 PolarHBondContact O-N 3.05Å; C86-T90 PolarHBondContact O-OG1 3.31Å; S87-T90 WeakPolarHBondContact O-CB 3.49Å; S87-T90 PolarHBondContact O-N 2.89Å; S87-T90 VanDerWaalsContact O-N 3.12Å; L88-T90 VanDerWaalsContact C-N 3.3Å
91D94.4Very high96.5Very high108 Ų10850.4 Ų50.458%0.57832%0.317SS*.SBendtrans-128.692.1-173.4-61.2-65.4000110.2S87 L88S87-D91 PolarHBondContact O-N 2.81Å; L88-D91 CarbonylContact O-C 3.53Å; L88-D91 PolarHBondContact O-N 3.22Å
92C94.3Very high96.5Very high19 Ų1951 Ų5113%0.12832%0.32CS..  trans-69.4157177.173.10000111.4H54 L88 P94 Y106H54-C92 VanDerWaalsContact CE1-CB 3.48Å; H54-C92 WeakPolarHBondContact CE1-CB 3.41Å; L88-C92 WeakPolarHBondContact O-CA 3.3Å; L88-C92 PolarHBondContact O-N 3.3Å; C92-P94 WeakPolarHBondContact O-CD 3.33Å; C92-Y106 VanDerWaalsContact SG-CE2 3.52Å; C92-Y106 VanDerWaalsContact SG-CZ 3.51Å
93N94.6Very high96.5Very high74 Ų7450 Ų5040%0.39632%0.315SS..  trans-104.891.8175.6-176.91.4000111.2N56 A95 D96N56-N93 PolarHBondContact ND2-O 3.23Å; N56-N93 PolarHBondContact OD1-N 3.42Å; N93-A95 PolarHBondContact O-N 3.25Å; N93-A95 WeakPolarHBondContact OD1-CB 3.42Å; N93-A95 PolarHBondContact OD1-N 2.89Å; N93-A95 VanDerWaalsContact OD1-N 3.12Å; N93-D96 PolarHBondContact O-N 3.49Å; N93-D96 PolarHBondContact OD1-N 2.82Å
94P94.8Very high96.6Very high29 Ų2947.9 Ų47.919%0.18831%0.307CS..THydrogen-bonded Turntrans-71.6-11.9-179.831-37.2000113.9C92 P97 A103 Y106 M107C92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-P97 WeakPolarHBondContact O-CD 3.43Å; P94-A103 HydrophobicContact CB-CB 4.09Å; P94-Y106 HydrophobicContact CB-CD1 4.05Å; P94-Y106 HydrophobicContact CG-CD1 3.96Å; P94-Y106 HydrophobicContact CG-CE1 4.07Å; P94-M107 HydrophobicContact CB-CE 4.35Å; P94-M107 HydrophobicContact CB-CG 3.95Å; P94-M107 HydrophobicContact CB-SD 4.02Å; P94-M107 HydrophobicContact CG-CG 4.21Å; P94-M107 HydrophobicContact CG-SD 4.31Å
95A94.6Very high96.6Very high91 Ų9147.8 Ų47.875%0.75230%0.302SS*.THydrogen-bonded Turntrans-80.7-21.9178.200000113.1N93 P97N93-A95 PolarHBondContact O-N 3.25Å; N93-A95 WeakPolarHBondContact OD1-CB 3.42Å; N93-A95 PolarHBondContact OD1-N 2.89Å; N93-A95 VanDerWaalsContact OD1-N 3.12Å; A95-P97 VanDerWaalsContact C-CD 3.46Å
96D93.3Very high96.6Very high87 Ų8749.9 Ų49.947%0.46531%0.31SS..SBendtrans-126.466.6173.2-177.135.4000111.9N56 C64 N93N56-D96 PolarHBondContact ND2-O 3.29Å; C64-D96 PolarHBondContact SG-OD2 2.96Å; N93-D96 PolarHBondContact O-N 3.49Å; N93-D96 PolarHBondContact OD1-N 2.82Å
97P96.1Very high96.6Very high45 Ų4553.6 Ų53.629%0.29233%0.326SS..  trans-87.4146.6-173.536.3-34.9000112.6C55 P94 A95 A103C55-P97 HydrophobicContact CB-CB 4.24Å; P94-P97 WeakPolarHBondContact O-CD 3.43Å; A95-P97 VanDerWaalsContact C-CD 3.46Å; P97-A103 HydrophobicContact CB-CB 3.56Å; P97-A103 HydrophobicContact CG-CB 3.84Å
98L96.5Very high96.7Very high64 Ų6455.5 Ų55.534%0.33533%0.334SS..SBendtrans-82.4-28.2161.6-66.5-178.8000112.1C55 N56 N58 V62 C64C55-L98 PolarHBondContact O-N 3.17Å; N56-L98 WeakPolarHBondContact O-CD1 3.47Å; N58-L98 HydrophobicContact CB-CB 4.23Å; N58-L98 HydrophobicContact CB-CD1 4.39Å; V62-L98 HydrophobicContact CB-CD1 4.38Å; V62-L98 HydrophobicContact CG1-CD1 4.2Å; V62-L98 WeakPolarHBondContact O-CD1 3.41Å; C64-L98 HydrophobicContact CB-CD1 3.93Å; C64-L98 HydrophobicContact CB-CD2 3.89Å; C64-L98 HydrophobicContact CB-CG 3.62Å
99V97.8Very high96.7Very high33 Ų3358.5 Ų58.520%0.235%0.35CS..SBendtrans-120.888-178.8-165.90000108.6C55 N58 S101 I102 A103C55-V99 PolarHBondContact O-N 3.24Å; N58-V99 HydrophobicContact CB-CG2 4.13Å; V99-S101 VanDerWaalsContact C-N 3.26Å; V99-S101 PolarHBondContact O-N 3.12Å; V99-I102 HydrophobicContact CB-CB 4.32Å; V99-I102 HydrophobicContact CB-CD1 3.99Å; V99-I102 HydrophobicContact CB-CG1 4.12Å; V99-I102 HydrophobicContact CG1-CB 4.25Å; V99-I102 HydrophobicContact CG1-CD1 3.69Å; V99-I102 HydrophobicContact CG1-CG1 3.63Å; V99-I102 HydrophobicContact CG2-CD1 4.44Å; V99-I102 PolarHBondContact O-N 3.21Å; V99-I102 VanDerWaalsContact O-N 3.1Å; V99-A103 PolarHBondContact O-N 2.91Å
100G97.8Very high96.7Very high39 Ų3963.5 Ų63.540%0.40237%0.369SS..Hα-helixtrans-57.4-34.8-174.900000114I102 A103 T104G100-I102 PolarHBondContact O-N 3.08Å; G100-A103 PolarHBondContact O-N 2.88Å; G100-T104 PolarHBondContact O-N 3.03Å; G100-T104 PolarHBondContact O-OG1 3.18Å; G100-T104 VanDerWaalsContact O-OG1 3.1Å
101S97.9Very high96.8Very high85 Ų8563.9 Ų63.959%0.59438%0.379SS*.Hα-helixtrans-63.1-40.4176.954.10000112.9V99 Q105V99-S101 VanDerWaalsContact C-N 3.26Å; V99-S101 PolarHBondContact O-N 3.12Å; S101-Q105 WeakPolarHBondContact O-CB 3.48Å; S101-Q105 PolarHBondContact O-N 3.42Å
102I98.4Very high97Very high13 Ų1361.5 Ų61.57%0.06736%0.364CS..Hα-helixtrans-68.7-40.5176.8-58.9-179.8000109.9Y53 C55 V99 G100 Q105 Y106Y53-I102 HydrophobicContact CD1-CD1 4.44Å; Y53-I102 HydrophobicContact CD1-CG2 4.1Å; Y53-I102 HydrophobicContact CD2-CD1 3.83Å; Y53-I102 HydrophobicContact CD2-CG1 4.41Å; Y53-I102 HydrophobicContact CE1-CD1 4.38Å; Y53-I102 HydrophobicContact CE1-CG1 4.19Å; Y53-I102 HydrophobicContact CE1-CG2 3.73Å; Y53-I102 HydrophobicContact CE2-CD1 3.72Å; Y53-I102 HydrophobicContact CE2-CG1 3.82Å; Y53-I102 HydrophobicContact CG-CD1 4.19Å; C55-I102 HydrophobicContact CB-CB 4.07Å; C55-I102 HydrophobicContact CB-CG2 3.94Å; V99-I102 HydrophobicContact CB-CB 4.32Å; V99-I102 HydrophobicContact CB-CD1 3.99Å; V99-I102 HydrophobicContact CB-CG1 4.12Å; V99-I102 HydrophobicContact CG1-CB 4.25Å; V99-I102 HydrophobicContact CG1-CD1 3.69Å; V99-I102 HydrophobicContact CG1-CG1 3.63Å; V99-I102 HydrophobicContact CG2-CD1 4.44Å; V99-I102 PolarHBondContact O-N 3.21Å; V99-I102 VanDerWaalsContact O-N 3.1Å; G100-I102 PolarHBondContact O-N 3.08Å; I102-Q105 PolarHBondContact O-N 3.45Å; I102-Y106 WeakPolarHBondContact O-CB 3.15Å; I102-Y106 PolarHBondContact O-N 2.79Å
103A98.3Very high97.2Very high2 Ų260.8 Ų60.82%0.01736%0.359CS..Hα-helixtrans-62.5-46.3175.800000112.5C55 P94 P97 V99 G100 Q105 Y106 M107C55-A103 HydrophobicContact CB-CB 3.85Å; P94-A103 HydrophobicContact CB-CB 4.09Å; P97-A103 HydrophobicContact CB-CB 3.56Å; P97-A103 HydrophobicContact CG-CB 3.84Å; V99-A103 PolarHBondContact O-N 2.91Å; G100-A103 PolarHBondContact O-N 2.88Å; A103-Q105 VanDerWaalsContact C-N 3.31Å; A103-Q105 PolarHBondContact O-N 3.21Å; A103-Y106 WeakPolarHBondContact O-CB 3.43Å; A103-Y106 PolarHBondContact O-N 3.43Å; A103-M107 WeakPolarHBondContact O-CG 3.43Å; A103-M107 PolarHBondContact O-N 3.28Å
104T98.3Very high97.4Very high77 Ų7758.3 Ų58.347%0.47235%0.346SS..Hα-helixtrans-60.2-42.8175.7-620000111.1G100 M107 T108G100-T104 PolarHBondContact O-N 3.03Å; G100-T104 PolarHBondContact O-OG1 3.18Å; G100-T104 VanDerWaalsContact O-OG1 3.1Å; T104-M107 PolarHBondContact O-N 2.83Å; T104-T108 HydrophobicContact CG2-CG2 4.3Å; T104-T108 WeakPolarHBondContact O-CB 3.46Å; T104-T108 WeakPolarHBondContact O-CG2 3.49Å; T104-T108 PolarHBondContact O-N 3.49Å; T104-T108 PolarHBondContact O-OG1 2.86Å
105Q98.3Very high97.6Very high42 Ų4262.2 Ų62.220%0.19636%0.357CS..Hα-helixtrans-65.5-40.9176.4-168.1-174.349.100111.8Y53 S101 I102 A103 M107 T108 N109 E112 H113Y53-Q105 PolarHBondContact OH-OE1 3.12Å; S101-Q105 WeakPolarHBondContact O-CB 3.48Å; S101-Q105 PolarHBondContact O-N 3.42Å; I102-Q105 PolarHBondContact O-N 3.45Å; A103-Q105 VanDerWaalsContact C-N 3.31Å; A103-Q105 PolarHBondContact O-N 3.21Å; Q105-M107 VanDerWaalsContact C-N 3.27Å; Q105-M107 PolarHBondContact O-N 3.25Å; Q105-T108 PolarHBondContact O-N 2.85Å; Q105-N109 CarbonylContact O-C 3.53Å; Q105-N109 WeakPolarHBondContact O-CA 3.47Å; Q105-N109 PolarHBondContact O-N 3.46Å; Q105-N109 VanDerWaalsContact O-O 3.1Å; Q105-E112 VanDerWaalsContact NE2-CG 3.34Å; Q105-H113 HydrophobicContact CG-CB 4.1Å
106Y98Very high97.8Very high44 Ų4459.8 Ų59.817%0.17333%0.33CS..Hα-helixtrans-56.7-42.3175.1179.6-95.5000111.9C92 P94 I102 A103 R110 H113C92-Y106 VanDerWaalsContact SG-CE2 3.52Å; C92-Y106 VanDerWaalsContact SG-CZ 3.51Å; P94-Y106 HydrophobicContact CB-CD1 4.05Å; P94-Y106 HydrophobicContact CG-CD1 3.96Å; P94-Y106 HydrophobicContact CG-CE1 4.07Å; I102-Y106 WeakPolarHBondContact O-CB 3.15Å; I102-Y106 PolarHBondContact O-N 2.79Å; A103-Y106 WeakPolarHBondContact O-CB 3.43Å; A103-Y106 PolarHBondContact O-N 3.43Å; Y106-R110 PolarHBondContact OH-NH1 2.89Å; Y106-H113 AromaticContact CD2-CE1 3.58Å; Y106-H113 AromaticContact CD2-CG 4Å; Y106-H113 AromaticContact CD2-ND1 3.68Å; Y106-H113 AromaticContact CD2-NE2 3.81Å
107M97.6Very high98.1Very high117 Ų11755.6 Ų55.658%0.57631%0.308SS*.Hα-helixtrans-78.6-35.9-178.5-67.3-173.4-73.500113.8P94 A103 T104 Q105P94-M107 HydrophobicContact CB-CE 4.35Å; P94-M107 HydrophobicContact CB-CG 3.95Å; P94-M107 HydrophobicContact CB-SD 4.02Å; P94-M107 HydrophobicContact CG-CG 4.21Å; P94-M107 HydrophobicContact CG-SD 4.31Å; A103-M107 WeakPolarHBondContact O-CG 3.43Å; A103-M107 PolarHBondContact O-N 3.28Å; T104-M107 PolarHBondContact O-N 2.83Å; Q105-M107 VanDerWaalsContact C-N 3.27Å; Q105-M107 PolarHBondContact O-N 3.25Å
108T98.2Very high98.2Very high110 Ų11059.7 Ų59.768%0.67532%0.318SS*.Hα-helixtrans-102.5-25.2-171.560.70000114.1T104 Q105T104-T108 HydrophobicContact CG2-CG2 4.3Å; T104-T108 WeakPolarHBondContact O-CB 3.46Å; T104-T108 WeakPolarHBondContact O-CG2 3.49Å; T104-T108 PolarHBondContact O-N 3.49Å; T104-T108 PolarHBondContact O-OG1 2.86Å; Q105-T108 PolarHBondContact O-N 2.85Å
109N97.9Very high98.3Very high78 Ų7861.3 Ų61.342%0.41732%0.324SS..  trans-147.569.7179.5-170.4-11.3000110.8Q105 A111 E112 H113Q105-N109 CarbonylContact O-C 3.53Å; Q105-N109 WeakPolarHBondContact O-CA 3.47Å; Q105-N109 PolarHBondContact O-N 3.46Å; Q105-N109 VanDerWaalsContact O-O 3.1Å; N109-A111 PolarHBondContact O-N 2.99Å; N109-E112 HydrophobicContact CB-CB 4.49Å; N109-E112 PolarHBondContact O-N 3.27Å; N109-E112 WeakPolarHBondContact OD1-CB 3.28Å; N109-E112 PolarHBondContact OD1-N 3.48Å; N109-H113 PolarHBondContact O-N 3.28Å
110R97.9Very high98.3Very high110 Ų11063.1 Ų63.142%0.41533%0.327SS..Hα-helixtrans-56.5-35.4-178.5-177.659.1-174.3-92.93113.2Y106 H113 D114Y106-R110 PolarHBondContact OH-NH1 2.89Å; R110-H113 PolarHBondContact O-N 3.44Å; R110-D114 WeakPolarHBondContact CD-OD1 3.39Å; R110-D114 IonicContact CZ-OD1 3.73Å; R110-D114 IonicContact CZ-OD2 3.82Å; R110-D114 VanDerWaalsContact NE-CG 3.27Å; R110-D114 IonicContact NE-OD1 2.77Å; R110-D114 PolarHBondContact NE-OD1 3.28Å; R110-D114 IonicContact NE-OD2 3.11Å; R110-D114 PolarHBondContact NE-OD2 3.45Å; R110-D114 VanDerWaalsContact NE-OD2 3.11Å; R110-D114 IonicContact NH2-OD1 3.83Å; R110-D114 IonicContact NH2-OD2 3.78Å; R110-D114 WeakPolarHBondContact O-CB 3.39Å; R110-D114 VanDerWaalsContact O-CG 3.25Å; R110-D114 PolarHBondContact O-N 2.97Å
111A98.5Very high98.4Very high75 Ų7561.6 Ų61.662%0.6231%0.31SS*.Hα-helixtrans-62.8-46.7179.800000112.2N109 D114 R115N109-A111 PolarHBondContact O-N 2.99Å; A111-D114 PolarHBondContact O-N 3.2Å; A111-R115 WeakPolarHBondContact O-CB 3.47Å; A111-R115 PolarHBondContact O-N 3.02Å
112E98.5Very high98.4Very high57 Ų5765.4 Ų65.427%0.26632%0.316SS..Hα-helixtrans-71.2-39.4177.9178.158.8-167.300111.9Q105 N109 D114 R115 M116Q105-E112 VanDerWaalsContact NE2-CG 3.34Å; N109-E112 HydrophobicContact CB-CB 4.49Å; N109-E112 PolarHBondContact O-N 3.27Å; N109-E112 WeakPolarHBondContact OD1-CB 3.28Å; N109-E112 PolarHBondContact OD1-N 3.48Å; E112-D114 VanDerWaalsContact C-N 3.31Å; E112-D114 PolarHBondContact O-N 2.93Å; E112-R115 PolarHBondContact O-N 2.96Å; E112-R115 IonicContact OE1-CZ 3.48Å; E112-R115 IonicContact OE1-NE 3.49Å; E112-R115 PolarHBondContact OE1-NE 2.81Å; E112-R115 IonicContact OE1-NH2 2.67Å; E112-R115 PolarHBondContact OE1-NH2 3.02Å; E112-R115 IonicContact OE2-CZ 3.57Å; E112-R115 IonicContact OE2-NE 2.77Å; E112-R115 PolarHBondContact OE2-NE 3.49Å; E112-R115 IonicContact OE2-NH2 3.52Å; E112-M116 HydrophobicContact CG-CG 4.48Å; E112-M116 WeakPolarHBondContact O-CB 3.41Å; E112-M116 WeakPolarHBondContact O-CG 3.45Å; E112-M116 PolarHBondContact O-N 3.36Å; E112-M116 WeakPolarHBondContact OE1-CG 3.45Å
113H98.6Very high98.4Very high4 Ų473.2 Ų73.22%0.01934%0.344CS..Hα-helixtrans-52.2-52.4171.5168-82.2000110.8Y53 Q105 Y106 N109 R110 R115 M116 A117Y53-H113 AromaticContact CE1-CD2 3.86Å; Q105-H113 HydrophobicContact CG-CB 4.1Å; Y106-H113 AromaticContact CD2-CE1 3.58Å; Y106-H113 AromaticContact CD2-CG 4Å; Y106-H113 AromaticContact CD2-ND1 3.68Å; Y106-H113 AromaticContact CD2-NE2 3.81Å; N109-H113 PolarHBondContact O-N 3.28Å; R110-H113 PolarHBondContact O-N 3.44Å; H113-R115 VanDerWaalsContact C-N 3.33Å; H113-R115 PolarHBondContact O-N 3.47Å; H113-M116 PolarHBondContact O-N 3.15Å; H113-A117 WeakPolarHBondContact O-CB 3.44Å; H113-A117 PolarHBondContact O-N 3.49Å
114D98.6Very high98.4Very high22 Ų2276.5 Ų76.512%0.11836%0.357CS..Hα-helixtrans-69-33.8-175.7-70.70.5000112.1V23 R110 A111 E112 R118V23-D114 HydrophobicContact CG1-CB 3.63Å; V23-D114 VanDerWaalsContact CG1-CG 3.49Å; R110-D114 WeakPolarHBondContact CD-OD1 3.39Å; R110-D114 IonicContact CZ-OD1 3.73Å; R110-D114 IonicContact CZ-OD2 3.82Å; R110-D114 VanDerWaalsContact NE-CG 3.27Å; R110-D114 IonicContact NE-OD1 2.77Å; R110-D114 PolarHBondContact NE-OD1 3.28Å; R110-D114 IonicContact NE-OD2 3.11Å; R110-D114 PolarHBondContact NE-OD2 3.45Å; R110-D114 VanDerWaalsContact NE-OD2 3.11Å; R110-D114 IonicContact NH2-OD1 3.83Å; R110-D114 IonicContact NH2-OD2 3.78Å; R110-D114 WeakPolarHBondContact O-CB 3.39Å; R110-D114 VanDerWaalsContact O-CG 3.25Å; R110-D114 PolarHBondContact O-N 2.97Å; A111-D114 PolarHBondContact O-N 3.2Å; E112-D114 VanDerWaalsContact C-N 3.31Å; E112-D114 PolarHBondContact O-N 2.93Å; D114-R118 WeakPolarHBondContact O-CB 3.46Å; D114-R118 WeakPolarHBondContact O-CG 3.32Å; D114-R118 PolarHBondContact O-N 3.02Å; D114-R118 PolarHBondContact O-NE 3.06Å
115R98.7Very high98.4Very high111 Ų11173.1 Ų73.142%0.41934%0.337SS..Hα-helixtrans-61-46.8172.2-167.7-165.368.4702.6110.8A111 E112 H113 Q119A111-R115 WeakPolarHBondContact O-CB 3.47Å; A111-R115 PolarHBondContact O-N 3.02Å; E112-R115 PolarHBondContact O-N 2.96Å; E112-R115 IonicContact OE1-CZ 3.48Å; E112-R115 IonicContact OE1-NE 3.49Å; E112-R115 PolarHBondContact OE1-NE 2.81Å; E112-R115 IonicContact OE1-NH2 2.67Å; E112-R115 PolarHBondContact OE1-NH2 3.02Å; E112-R115 IonicContact OE2-CZ 3.57Å; E112-R115 IonicContact OE2-NE 2.77Å; E112-R115 PolarHBondContact OE2-NE 3.49Å; E112-R115 IonicContact OE2-NH2 3.52Å; H113-R115 VanDerWaalsContact C-N 3.33Å; H113-R115 PolarHBondContact O-N 3.47Å; R115-Q119 WeakPolarHBondContact O-CB 3.38Å; R115-Q119 PolarHBondContact O-N 3.29Å
116M98.6Very high98Very high40 Ų4077.8 Ų77.820%0.19737%0.368CS..Hα-helixtrans-65.2-45.2178.5-73.7-69-70.700111.8Y53 E112 H113 Q119 W120Y53-M116 HydrophobicContact CD1-CB 4.15Å; Y53-M116 HydrophobicContact CE1-CB 3.87Å; Y53-M116 HydrophobicContact CE2-CE 4.41Å; E112-M116 HydrophobicContact CG-CG 4.48Å; E112-M116 WeakPolarHBondContact O-CB 3.41Å; E112-M116 WeakPolarHBondContact O-CG 3.45Å; E112-M116 PolarHBondContact O-N 3.36Å; E112-M116 WeakPolarHBondContact OE1-CG 3.45Å; H113-M116 PolarHBondContact O-N 3.15Å; M116-Q119 WeakPolarHBondContact O-CB 3.4Å; M116-Q119 PolarHBondContact O-N 2.79Å; M116-W120 VanDerWaalsContact O-CD1 3.29Å; M116-W120 PolarHBondContact O-N 2.83Å
117A98.7Very high98Very high0 Ų079.5 Ų79.50%038%0.378CS..Hα-helixtrans-60.2-48.7177.600000111.7V23 Y24 Y53 H113 Q119 W120 T121V23-A117 HydrophobicContact CB-CB 3.75Å; V23-A117 HydrophobicContact CG1-CB 4.41Å; V23-A117 HydrophobicContact CG2-CB 3.51Å; Y24-A117 HydrophobicContact CE1-CB 4.28Å; Y53-A117 HydrophobicContact CD1-CB 4.12Å; H113-A117 WeakPolarHBondContact O-CB 3.44Å; H113-A117 PolarHBondContact O-N 3.49Å; A117-Q119 VanDerWaalsContact C-N 3.32Å; A117-Q119 PolarHBondContact O-N 2.81Å; A117-W120 PolarHBondContact O-N 3.12Å; A117-W120 VanDerWaalsContact O-N 3.16Å; A117-T121 PolarHBondContact O-N 3.46Å; A117-T121 PolarHBondContact O-OG1 3.35Å
118R98.8Very high98Very high131 Ų13177.5 Ų77.549%0.49437%0.368SS..Hα-helixtrans-60.3-39.9174.8-75.8-175.5-79.3-99.11.5112.7V23 D114 W120 T121 K122V23-R118 HydrophobicContact CB-CG 4.04Å; V23-R118 HydrophobicContact CG1-CG 4.43Å; V23-R118 WeakPolarHBondContact O-CG 3.49Å; D114-R118 WeakPolarHBondContact O-CB 3.46Å; D114-R118 WeakPolarHBondContact O-CG 3.32Å; D114-R118 PolarHBondContact O-N 3.02Å; D114-R118 PolarHBondContact O-NE 3.06Å; R118-W120 VanDerWaalsContact C-N 3.34Å; R118-T121 PolarHBondContact O-N 2.91Å; R118-K122 PolarHBondContact O-N 3.05Å
119Q98.6Very high98Very high98 Ų9875.7 Ų75.746%0.45835%0.351SS..Hα-helixtrans-63-42.1176-176.2-18043.600111.5R115 M116 A117 K122 R123R115-Q119 WeakPolarHBondContact O-CB 3.38Å; R115-Q119 PolarHBondContact O-N 3.29Å; M116-Q119 WeakPolarHBondContact O-CB 3.4Å; M116-Q119 PolarHBondContact O-N 2.79Å; A117-Q119 VanDerWaalsContact C-N 3.32Å; A117-Q119 PolarHBondContact O-N 2.81Å; Q119-K122 PolarHBondContact O-N 3.27Å; Q119-R123 VanDerWaalsContact O-CB 3.28Å; Q119-R123 WeakPolarHBondContact O-CB 3.46Å; Q119-R123 PolarHBondContact O-N 2.76Å
120W98.7Very high98Very high70 Ų7075.6 Ų75.627%0.26535%0.347SS..Hα-helixtrans-67.1-42.3177-87.356.2000112.2R51 Y53 M116 A117 R118 K122 R123 Y124R51-W120 HydrophobicContact CB-CE3 4.47Å; R51-W120 HydrophobicContact CB-CZ3 4.22Å; Y53-W120 HydrophobicContact CD2-CD2 4.16Å; Y53-W120 AromaticContact CD2-CE2 3.95Å; Y53-W120 HydrophobicContact CD2-CG 4.49Å; Y53-W120 HydrophobicContact CD2-CZ2 4.23Å; Y53-W120 HydrophobicContact CG-CD2 4.44Å; Y53-W120 HydrophobicContact CG-CG 4.46Å; M116-W120 VanDerWaalsContact O-CD1 3.29Å; M116-W120 PolarHBondContact O-N 2.83Å; A117-W120 PolarHBondContact O-N 3.12Å; A117-W120 VanDerWaalsContact O-N 3.16Å; R118-W120 VanDerWaalsContact C-N 3.34Å; W120-K122 VanDerWaalsContact C-N 3.34Å; W120-K122 PolarHBondContact O-N 3.38Å; W120-R123 PolarHBondContact O-N 2.87Å; W120-R123 VanDerWaalsContact O-N 3.08Å; W120-Y124 HydrophobicContact CB-CD2 4.16Å; W120-Y124 HydrophobicContact CB-CE2 4.49Å; W120-Y124 AromaticContact CD2-CD2 3.9Å; W120-Y124 HydrophobicContact CD2-CD2 3.9Å; W120-Y124 AromaticContact CD2-CE2 3.59Å; W120-Y124 HydrophobicContact CD2-CE2 3.59Å; W120-Y124 AromaticContact CE2-CE2 4Å; W120-Y124 AromaticContact CE3-CD2 3.75Å; W120-Y124 HydrophobicContact CE3-CD2 3.75Å; W120-Y124 AromaticContact CE3-CE2 3.69Å; W120-Y124 HydrophobicContact CE3-CE2 3.69Å; W120-Y124 HydrophobicContact CG-CD2 4.1Å; W120-Y124 AromaticContact CG-CE2 3.96Å; W120-Y124 HydrophobicContact CG-CE2 3.96Å; W120-Y124 HydrophobicContact CZ2-CE2 4.47Å; W120-Y124 HydrophobicContact CZ3-CD2 4.49Å; W120-Y124 HydrophobicContact CZ3-CE2 4.21Å; W120-Y124 WeakPolarHBondContact O-CD2 3.32Å; W120-Y124 PolarHBondContact O-N 2.97Å
121T98.8Very high98.1Very high8 Ų873.4 Ų73.45%0.04934%0.342CS..Hα-helixtrans-53-52.9173.1-580000110.3V23 Y24 F29 A117 R118 R123 A125V23-T121 PolarHBondContact O-OG1 3.16Å; V23-T121 VanDerWaalsContact O-OG1 3.08Å; Y24-T121 WeakPolarHBondContact O-CG2 3.45Å; F29-T121 HydrophobicContact CZ-CG2 4.21Å; A117-T121 PolarHBondContact O-N 3.46Å; A117-T121 PolarHBondContact O-OG1 3.35Å; R118-T121 PolarHBondContact O-N 2.91Å; T121-R123 VanDerWaalsContact C-N 3.26Å; T121-R123 PolarHBondContact O-N 3.35Å; T121-A125 CarbonylContact O-C 3.5Å; T121-A125 WeakPolarHBondContact O-CA 3.36Å; T121-A125 WeakPolarHBondContact O-CB 3.36Å; T121-A125 PolarHBondContact O-N 3.28Å
122K98.4Very high98Very high165 Ų16573.3 Ų73.372%0.71732%0.324SS*.Hα-helixtrans-65.7-25178.3-172.9172-176.7176.40114.1R118 Q119 W120 T126R118-K122 PolarHBondContact O-N 3.05Å; Q119-K122 PolarHBondContact O-N 3.27Å; W120-K122 VanDerWaalsContact C-N 3.34Å; W120-K122 PolarHBondContact O-N 3.38Å; K122-T126 PolarHBondContact O-OG1 2.77Å
123R98.4Very high98Very high177 Ų17774.5 Ų74.567%0.66833%0.328SS*.Hα-helixtrans-88-34.9-176.6-174.5173-179.3176.41.3112.9Q119 W120 T121Q119-R123 VanDerWaalsContact O-CB 3.28Å; Q119-R123 WeakPolarHBondContact O-CB 3.46Å; Q119-R123 PolarHBondContact O-N 2.76Å; W120-R123 PolarHBondContact O-N 2.87Å; W120-R123 VanDerWaalsContact O-N 3.08Å; T121-R123 VanDerWaalsContact C-N 3.26Å; T121-R123 PolarHBondContact O-N 3.35Å
124Y98.3Very high97.9Very high71 Ų7179.9 Ų79.928%0.27835%0.352SS..Hα-helixtrans-120.7-17.1-167.4-58.9-60000114T50 R51 W120T50-Y124 VanDerWaalsContact CG2-O 3.27Å; T50-Y124 WeakPolarHBondContact CG2-O 3.47Å; R51-Y124 HydrophobicContact CB-CD2 4.14Å; R51-Y124 HydrophobicContact CB-CG 4.04Å; W120-Y124 HydrophobicContact CB-CD2 4.16Å; W120-Y124 HydrophobicContact CB-CE2 4.49Å; W120-Y124 AromaticContact CD2-CD2 3.9Å; W120-Y124 HydrophobicContact CD2-CD2 3.9Å; W120-Y124 AromaticContact CD2-CE2 3.59Å; W120-Y124 HydrophobicContact CD2-CE2 3.59Å; W120-Y124 AromaticContact CE2-CE2 4Å; W120-Y124 AromaticContact CE3-CD2 3.75Å; W120-Y124 HydrophobicContact CE3-CD2 3.75Å; W120-Y124 AromaticContact CE3-CE2 3.69Å; W120-Y124 HydrophobicContact CE3-CE2 3.69Å; W120-Y124 HydrophobicContact CG-CD2 4.1Å; W120-Y124 AromaticContact CG-CE2 3.96Å; W120-Y124 HydrophobicContact CG-CE2 3.96Å; W120-Y124 HydrophobicContact CZ2-CE2 4.47Å; W120-Y124 HydrophobicContact CZ3-CD2 4.49Å; W120-Y124 HydrophobicContact CZ3-CE2 4.21Å; W120-Y124 WeakPolarHBondContact O-CD2 3.32Å; W120-Y124 PolarHBondContact O-N 2.97Å
125A97.6Very high97.9Very high6 Ų684.8 Ų84.85%0.0537%0.371CS..  trans-121.912.4-173.100000113.2G27 V28 F29 T50 T121G27-A125 CarbonylContact C-O 3.52Å; G27-A125 WeakPolarHBondContact CA-O 3.41Å; V28-A125 PolarHBondContact N-O 3.15Å; F29-A125 HydrophobicContact CD1-CB 3.99Å; F29-A125 HydrophobicContact CE1-CB 3.56Å; F29-A125 HydrophobicContact CE2-CB 4.22Å; F29-A125 HydrophobicContact CG-CB 4.49Å; F29-A125 HydrophobicContact CZ-CB 3.7Å; T50-A125 HydrophobicContact CG2-CB 3.8Å; T121-A125 CarbonylContact O-C 3.5Å; T121-A125 WeakPolarHBondContact O-CA 3.36Å; T121-A125 WeakPolarHBondContact O-CB 3.36Å; T121-A125 PolarHBondContact O-N 3.28Å
126T91Very high97.8Very high140 Ų14082.4 Ų82.486%0.85937%0.367SS*.  trans-123.70173.259.20000110.8K122K122-T126 PolarHBondContact O-OG1 2.77Å

Retrieved 126 of 126 residues in 74.7 ms (Link to these results)

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