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Histone H4

Core component of nucleosome1. Nucleosomes wrap and compact DNA into chromatin, limiting DNA accessibility to the cellular machineries which require DNA as a template. Histones thereby play a central role in transcription regulation, DNA repair, DNA replication and chromosomal stability. DNA accessibility is regulated via a complex set of post-translational modifications of histones, also called histone code, and nucleosome remodeling (Probable).

AlphaFold DB , UniProt , Accession Q57Z31, Species TRYB2 (Trypanosoma brucei brucei (strain 927/4 GUTat10.1)), Gene Tb05.45E22.490, Length 100 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
1M46Very low55.9Low251 Ų251158.5 Ų158.5100%1.23689%0.893SS**  0142.40-67.9-176.7-179.700109
2A53.9Low56.4Low108 Ų108150.9 Ų150.989%0.89388%0.877SS**  trans-77.8144.4-146.200000117.1
3K48.4Very low57.4Low208 Ų208148.1 Ų148.190%0.90487%0.87SS**  trans-70.2113.6177.1-137.7173.3-174.3172.50110.1K5K3-K5 PolarHBondContact O-N 3.28Å; K3-K5 VanDerWaalsContact O-N 3.09Å
4G56.7Low58.6Low79 Ų79151 Ų15181%0.81487%0.871SS**  trans-7295.4170.200000111.1K6G4-K6 PolarHBondContact O-N 3.38Å
5K55.8Low60Low203 Ų203154.3 Ų154.388%0.88387%0.871SS**  trans-77.694.7177.2-158.7175.2-174.5179.60108.6K3 S7K3-K5 PolarHBondContact O-N 3.28Å; K3-K5 VanDerWaalsContact O-N 3.09Å; K5-S7 PolarHBondContact O-N 3.2Å
6K55.1Low61.3Low205 Ų205160 Ų16089%0.89188%0.875SS**PPolyproline II helixtrans-59.7119172.1-90.6-177.7178.1177.10109.2G4G4-K6 PolarHBondContact O-N 3.38Å
7S55.3Low62.5Low116 Ų116161.5 Ų161.581%0.81187%0.874SS**PPolyproline II helixtrans-49136.9175.245.10000112.1K5K5-S7 PolarHBondContact O-N 3.2Å
8G56.4Low63.7Low75 Ų75163.9 Ų163.977%0.77388%0.875SS**PPolyproline II helixtrans-58.3138.3-170.400000114.7A10G8-A10 PolarHBondContact O-N 3.19Å; G8-A10 VanDerWaalsContact O-N 3.11Å
9E60Low64.8Low193 Ų193165.3 Ų165.390%0.90287%0.873SS**  trans-49109.9161.5-113.6168.4149.300109.6K11E9-K11 PolarHBondContact O-N 3.47Å
10A63Low65.9Low98 Ų98162.7 Ų162.781%0.8186%0.863SS**  trans-62.9102.3167.800000107.7G8 G12G8-A10 PolarHBondContact O-N 3.19Å; G8-A10 VanDerWaalsContact O-N 3.11Å; A10-G12 PolarHBondContact O-N 2.7Å
11K64.2Low66.9Low207 Ų207161.2 Ų161.290%0.986%0.855SS**  trans-47.8110172.4-73.8-178.8176.71780108.3E9 S13E9-K11 PolarHBondContact O-N 3.47Å; K11-S13 PolarHBondContact O-N 3.46Å
12G61.9Low68.8Low68 Ų68158.9 Ų158.970%0.70183%0.833SS**PPolyproline II helixtrans-50.3132.8-177.200000110.9A10 Q14A10-G12 PolarHBondContact O-N 2.7Å; G12-Q14 PolarHBondContact O-N 2.86Å; G12-Q14 VanDerWaalsContact O-N 3.1Å
13S69.6Low70.3Confident114 Ų114159.7 Ų159.780%0.79782%0.818SS**PPolyproline II helixtrans-59.1117.1176.855.10000109.1K11 K15K11-S13 PolarHBondContact O-N 3.46Å; S13-K15 PolarHBondContact O-N 3.41Å
14Q74.8Confident72.4Confident189 Ų189154.7 Ų154.788%0.88380%0.801SS**PPolyproline II helixtrans-56.2117.9171.7-79.7-176.8-28.100108G12 R16G12-Q14 PolarHBondContact O-N 2.86Å; G12-Q14 VanDerWaalsContact O-N 3.1Å; Q14-R16 PolarHBondContact O-N 2.98Å; Q14-R16 VanDerWaalsContact O-N 3.08Å
15K78.9Confident74.1Confident200 Ų200153.3 Ų153.387%0.8778%0.777SS**PPolyproline II helixtrans-55.4119.8175.3-73.1-178.6-179.8174.90107.9S13 Q17S13-K15 PolarHBondContact O-N 3.41Å; K15-Q17 PolarHBondContact O-N 3.42Å; K15-Q17 VanDerWaalsContact O-N 3.08Å
16R81.5Confident75.8Confident246 Ų246152 Ų15293%0.92877%0.766SS**PPolyproline II helixtrans-56.7117.3175.2-75.3-178.1177.2176.1-0.4108.7Q14Q14-R16 PolarHBondContact O-N 2.98Å; Q14-R16 VanDerWaalsContact O-N 3.08Å
17Q81.7Confident77.7Confident186 Ų186144.9 Ų144.987%0.86975%0.751SS**PPolyproline II helixtrans-64.4139.6172.8-65.1-1782.400109.3K15K15-Q17 PolarHBondContact O-N 3.42Å; K15-Q17 VanDerWaalsContact O-N 3.08Å
18K83.9Confident79.6Confident204 Ų204142 Ų14289%0.88773%0.726SS**PPolyproline II helixtrans-70.7134.4176.7-66.4-177.7179.5-179.80109
19K84.8Confident81.5Confident190 Ų190141.8 Ų141.883%0.82671%0.71SS**PPolyproline II helixtrans-64.5138.5173.5-67.9-174.7178-176.60109.8L21K19-L21 PolarHBondContact O-N 3.01Å
20V86Confident83.3Confident113 Ų113139.8 Ų139.869%0.68569%0.694SS**PPolyproline II helixtrans-69.6118.6169.8-174.50000108R22V20-R22 HydrophobicContact CG1-CG 4.03Å
21L87.2Confident84.9Confident133 Ų133135.8 Ų135.870%0.69666%0.662SS**PPolyproline II helixtrans-82122177.8-63.8178.3000109.4K19K19-L21 PolarHBondContact O-N 3.01Å
22R85.7Confident86.5Confident201 Ų201127.4 Ų127.476%0.75863%0.63SS**  trans-138.3142176.7-63-173.8177.6-178.5-0.9110.1V20 N24V20-R22 HydrophobicContact CG1-CG 4.03Å; R22-N24 PolarHBondContact O-N 3.17Å; R22-N24 VanDerWaalsContact O-N 3.07Å
23E85.7Confident88.2Confident126 Ų126124.4 Ų124.459%0.58960%0.598SS**  trans55.124.3171.9-54.8-164.9152.600117.5V25 R26E23-V25 PolarHBondContact O-N 3.07Å; E23-R26 WeakPolarHBondContact O-CB 3.17Å; E23-R26 PolarHBondContact O-N 3.05Å; E23-R26 IonicContact OE1-CZ 2.77Å; E23-R26 IonicContact OE1-NH1 2.77Å; E23-R26 IonicContact OE2-CZ 3.8Å; E23-R26 IonicContact OE2-NE 3.22Å; E23-R26 IonicContact OE2-NH1 2.78Å; E23-R26 PolarHBondContact OE2-NH1 3.23Å
24N91.9Very high89.5Confident102 Ų102124.2 Ų124.255%0.54558%0.579SS.*G310 helixtrans-57.2-20.1-178.8-66.3-32.9000114.5R22 R26 G27R22-N24 PolarHBondContact O-N 3.17Å; R22-N24 VanDerWaalsContact O-N 3.07Å; N24-R26 PolarHBondContact O-N 3.49Å; N24-G27 WeakPolarHBondContact O-CA 3.16Å; N24-G27 PolarHBondContact O-N 3.42Å
25V93Very high90.7Very high51 Ų51122.4 Ų122.431%0.30956%0.564SS.*G310 helixtrans-59.6-31.1176.2-160.10000111.6E23 G27 I28 R54 K58E23-V25 PolarHBondContact O-N 3.07Å; V25-G27 PolarHBondContact O-N 3.49Å; V25-I28 WeakPolarHBondContact O-CB 3.4Å; V25-I28 PolarHBondContact O-N 2.95Å; V25-I28 VanDerWaalsContact O-N 3.12Å; V25-R54 HydrophobicContact CG1-CB 3.71Å; V25-R54 HydrophobicContact CG1-CG 4.1Å; V25-K58 HydrophobicContact CG1-CB 4.42Å; V25-K58 HydrophobicContact CG2-CD 4.13Å; V25-K58 HydrophobicContact CG2-CG 4.48Å
26R91.6Very high91.5Very high174 Ų174117.4 Ų117.466%0.65755%0.547SS*.G310 helixtrans-67.2-19.7174-69.3-179.4171.3173.6-6.4112.8E23 N24 I28E23-R26 WeakPolarHBondContact O-CB 3.17Å; E23-R26 PolarHBondContact O-N 3.05Å; E23-R26 IonicContact OE1-CZ 2.77Å; E23-R26 IonicContact OE1-NH1 2.77Å; E23-R26 IonicContact OE2-CZ 3.8Å; E23-R26 IonicContact OE2-NE 3.22Å; E23-R26 IonicContact OE2-NH1 2.78Å; E23-R26 PolarHBondContact OE2-NH1 3.23Å; N24-R26 PolarHBondContact O-N 3.49Å; R26-I28 PolarHBondContact O-N 2.71Å
27G94.4Very high92.3Very high56 Ų56106.7 Ų106.758%0.57751%0.511SS*.G310 helixtrans-63.1-18.8171.200000113.5N24 V25 T29N24-G27 WeakPolarHBondContact O-CA 3.16Å; N24-G27 PolarHBondContact O-N 3.42Å; V25-G27 PolarHBondContact O-N 3.49Å; G27-T29 PolarHBondContact O-N 2.7Å
28I95.6Very high93.1Very high55 Ų55104 Ų10428%0.28249%0.493SS..SBendtrans-76.893167.7-52.6-62.1000108.5V25 R26 I33 R54 L57V25-I28 WeakPolarHBondContact O-CB 3.4Å; V25-I28 PolarHBondContact O-N 2.95Å; V25-I28 VanDerWaalsContact O-N 3.12Å; R26-I28 PolarHBondContact O-N 2.71Å; I28-I33 HydrophobicContact CG2-CD1 4.29Å; I28-I33 HydrophobicContact CG2-CG1 3.86Å; I28-R54 PolarHBondContact O-NE 3.47Å; I28-R54 VanDerWaalsContact O-NE 3.08Å; I28-R54 PolarHBondContact O-NH2 3.07Å; I28-L57 HydrophobicContact CD1-CD2 4.08Å; I28-L57 HydrophobicContact CG1-CD2 3.84Å; I28-L57 HydrophobicContact CG2-CD2 4.14Å
29T97.1Very high93.7Very high71 Ų71104.1 Ų104.144%0.43649%0.488SS..  trans-67.5156.1-174.571.70000112.3G27 G31 S32 I33G27-T29 PolarHBondContact O-N 2.7Å; T29-G31 PolarHBondContact O-N 3.08Å; T29-G31 VanDerWaalsContact O-N 3.15Å; T29-G31 PolarHBondContact OG1-N 3.26Å; T29-S32 WeakPolarHBondContact O-CB 3.4Å; T29-S32 PolarHBondContact O-N 2.97Å; T29-S32 PolarHBondContact OG1-N 3.33Å; T29-S32 PolarHBondContact OG1-OG 2.72Å; T29-I33 PolarHBondContact O-N 3.45Å; T29-I33 VanDerWaalsContact O-N 3.15Å
30R96.8Very high94.3Very high152 Ų15298.1 Ų98.157%0.57448%0.48SS*.Hα-helixtrans-55.2-31.3171.5-66.9-175.7173.8174.3-1.8111.9R34 Y50R30-R34 VanDerWaalsContact O-CB 3.28Å; R30-R34 WeakPolarHBondContact O-CB 3.32Å; R30-R34 PolarHBondContact O-N 3.24Å; R30-Y50 HydrophobicContact CB-CD1 4.06Å; R30-Y50 HydrophobicContact CB-CE1 3.98Å; R30-Y50 HydrophobicContact CB-CG 4.48Å; R30-Y50 HydrophobicContact CG-CD1 3.9Å; R30-Y50 HydrophobicContact CG-CD2 4.02Å; R30-Y50 HydrophobicContact CG-CE1 4.21Å; R30-Y50 HydrophobicContact CG-CE2 4.31Å; R30-Y50 HydrophobicContact CG-CG 3.84Å
31G97.2Very high94.9Very high13 Ų1395.9 Ų95.913%0.13448%0.48CS..Hα-helixtrans-64.1-44.8174.400000112.9T29 R34 R35T29-G31 PolarHBondContact O-N 3.08Å; T29-G31 VanDerWaalsContact O-N 3.15Å; T29-G31 PolarHBondContact OG1-N 3.26Å; G31-R34 PolarHBondContact O-N 3.35Å; G31-R35 WeakPolarHBondContact O-CG 3.45Å; G31-R35 PolarHBondContact O-N 3.12Å
32S97.5Very high95.4Very high32 Ų3292.4 Ų92.422%0.22446%0.463CS..Hα-helixtrans-62.2-47.5176.3-62.10000112.1T29 R34 R35 L36T29-S32 WeakPolarHBondContact O-CB 3.4Å; T29-S32 PolarHBondContact O-N 2.97Å; T29-S32 PolarHBondContact OG1-N 3.33Å; T29-S32 PolarHBondContact OG1-OG 2.72Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 2.94Å; S32-R35 PolarHBondContact O-N 2.9Å; S32-R35 PolarHBondContact OG-NH2 2.91Å; S32-L36 PolarHBondContact O-N 3.3Å
33I97.7Very high95.9Very high5 Ų591.1 Ų91.13%0.02646%0.464CS..Hα-helixtrans-61.5-44.4177.4-60173.4000110.3I28 T29 R35 L36 A37 Y50 V53 R54I28-I33 HydrophobicContact CG2-CD1 4.29Å; I28-I33 HydrophobicContact CG2-CG1 3.86Å; T29-I33 PolarHBondContact O-N 3.45Å; T29-I33 VanDerWaalsContact O-N 3.15Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 3.15Å; I33-L36 PolarHBondContact O-N 3.31Å; I33-A37 WeakPolarHBondContact O-CB 3.38Å; I33-A37 PolarHBondContact O-N 2.86Å; I33-Y50 HydrophobicContact CB-CD1 4.1Å; I33-Y50 HydrophobicContact CB-CE1 4.48Å; I33-Y50 HydrophobicContact CD1-CD1 4.07Å; I33-Y50 WeakPolarHBondContact CD1-O 3.18Å; I33-Y50 HydrophobicContact CG2-CD1 3.94Å; I33-Y50 HydrophobicContact CG2-CE1 4.35Å; I33-V53 HydrophobicContact CD1-CB 4.32Å; I33-V53 HydrophobicContact CD1-CG1 4.28Å; I33-V53 HydrophobicContact CG1-CG1 4.14Å; I33-V53 HydrophobicContact CG2-CB 4.1Å; I33-V53 HydrophobicContact CG2-CG1 3.99Å; I33-V53 HydrophobicContact CG2-CG2 4.12Å; I33-R54 HydrophobicContact CD1-CG 4.27Å
34R97.6Very high96.5Very high109 Ų10995.4 Ų95.441%0.41147%0.474SS..Hα-helixtrans-59.7-43.5176.4-176.3173.159.9-103.23.2111.6R30 G31 S32 L36 A37 R38 I45R30-R34 VanDerWaalsContact O-CB 3.28Å; R30-R34 WeakPolarHBondContact O-CB 3.32Å; R30-R34 PolarHBondContact O-N 3.24Å; G31-R34 PolarHBondContact O-N 3.35Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 2.94Å; R34-L36 VanDerWaalsContact C-N 3.34Å; R34-L36 PolarHBondContact O-N 3.45Å; R34-A37 PolarHBondContact O-N 3.02Å; R34-R38 HydrophobicContact CG-CG 4.3Å; R34-R38 WeakPolarHBondContact O-CB 3.21Å; R34-R38 VanDerWaalsContact O-CG 3.26Å; R34-R38 WeakPolarHBondContact O-CG 3.32Å; R34-R38 PolarHBondContact O-N 2.96Å; R34-I45 HydrophobicContact CB-CD1 4.41Å; R34-I45 HydrophobicContact CG-CD1 4.17Å
35R98Very high96.7Very high151 Ų15192.4 Ų92.457%0.5746%0.458SS*.Hα-helixtrans-60.1-42.3176.1-73.5-171.4-59.9-89.61.6112.2G31 S32 I33 R39G31-R35 WeakPolarHBondContact O-CG 3.45Å; G31-R35 PolarHBondContact O-N 3.12Å; S32-R35 PolarHBondContact O-N 2.9Å; S32-R35 PolarHBondContact OG-NH2 2.91Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 3.15Å; R35-R39 PolarHBondContact O-N 3.15Å
36L97.3Very high96.9Very high95 Ų9593.4 Ų93.450%0.49747%0.467SS..Hα-helixtrans-62.6-48.9175.4-68.9173.3000111.8S32 I33 R34 R38 R39 G40S32-L36 PolarHBondContact O-N 3.3Å; I33-L36 PolarHBondContact O-N 3.31Å; R34-L36 VanDerWaalsContact C-N 3.34Å; R34-L36 PolarHBondContact O-N 3.45Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 3.41Å; L36-R39 WeakPolarHBondContact O-CB 3.26Å; L36-R39 PolarHBondContact O-N 3.32Å; L36-G40 PolarHBondContact O-N 3.34Å
37A97.3Very high97Very high21 Ų2187.4 Ų87.417%0.17446%0.46CS..Hα-helixtrans-62-40.6178.900000112.2I33 R34 G40 G41 V42 I45I33-A37 WeakPolarHBondContact O-CB 3.38Å; I33-A37 PolarHBondContact O-N 2.86Å; R34-A37 PolarHBondContact O-N 3.02Å; A37-G40 CarbonylContact O-C 3.53Å; A37-G40 PolarHBondContact O-N 3.19Å; A37-G40 VanDerWaalsContact O-N 3.16Å; A37-G41 PolarHBondContact O-N 3.1Å; A37-V42 HydrophobicContact CB-CB 4.01Å; A37-V42 HydrophobicContact CB-CG1 4.48Å; A37-V42 HydrophobicContact CB-CG2 4.09Å; A37-V42 VanDerWaalsContact O-CB 3.26Å; A37-V42 WeakPolarHBondContact O-CB 2.81Å; A37-V42 WeakPolarHBondContact O-CG2 3.37Å; A37-V42 PolarHBondContact O-N 3.2Å; A37-I45 HydrophobicContact CB-CD1 3.47Å; A37-I45 VanDerWaalsContact CB-CD1 3.47Å; A37-I45 HydrophobicContact CB-CG1 4.19Å
38R97.9Very high97.1Very high129 Ų12989.9 Ų89.949%0.48746%0.463SS..Hα-helixtrans-62.6-41.9174-67.5-47.4-178.2-175.92.5112.1R34 L36 G40 G41 V42 K43R34-R38 HydrophobicContact CG-CG 4.3Å; R34-R38 WeakPolarHBondContact O-CB 3.21Å; R34-R38 VanDerWaalsContact O-CG 3.26Å; R34-R38 WeakPolarHBondContact O-CG 3.32Å; R34-R38 PolarHBondContact O-N 2.96Å; L36-R38 VanDerWaalsContact C-N 3.35Å; L36-R38 PolarHBondContact O-N 3.41Å; R38-G40 PolarHBondContact O-N 3.03Å; R38-G41 PolarHBondContact O-N 3.43Å; R38-V42 WeakPolarHBondContact CD-O 3.49Å; R38-V42 PolarHBondContact NH1-O 3.46Å; R38-K43 PolarHBondContact NH1-O 3.41Å
39R98.1Very high97.2Very high208 Ų20890.6 Ų90.679%0.78547%0.467SS*.Hα-helixtrans-61.3-32.7174.3-172.3-179.4-66.2152.2-3.3112R35 L36 G41R35-R39 PolarHBondContact O-N 3.15Å; L36-R39 WeakPolarHBondContact O-CB 3.26Å; L36-R39 PolarHBondContact O-N 3.32Å; R39-G41 VanDerWaalsContact C-N 3.28Å; R39-G41 PolarHBondContact O-N 2.95Å
40G97.4Very high97.2Very high64 Ų6488.7 Ų88.766%0.6645%0.452SS*.THydrogen-bonded Turntrans-80.46.8172.900000115.6L36 A37 R38L36-G40 PolarHBondContact O-N 3.34Å; A37-G40 CarbonylContact O-C 3.53Å; A37-G40 PolarHBondContact O-N 3.19Å; A37-G40 VanDerWaalsContact O-N 3.16Å; R38-G40 PolarHBondContact O-N 3.03Å
41G97.8Very high97.1Very high66 Ų6686.3 Ų86.368%0.6845%0.451SS*.THydrogen-bonded Turntrans80.611.3178.500000115.5A37 R38 R39 K43A37-G41 PolarHBondContact O-N 3.1Å; R38-G41 PolarHBondContact O-N 3.43Å; R39-G41 VanDerWaalsContact C-N 3.28Å; R39-G41 PolarHBondContact O-N 2.95Å; G41-K43 PolarHBondContact O-N 2.9Å
42V97.6Very high97.1Very high59 Ų5991.6 Ų91.636%0.35847%0.472SS..  trans-72.2120.9-179-178.50000110.6A37 R38 R44 I45A37-V42 HydrophobicContact CB-CB 4.01Å; A37-V42 HydrophobicContact CB-CG1 4.48Å; A37-V42 HydrophobicContact CB-CG2 4.09Å; A37-V42 VanDerWaalsContact O-CB 3.26Å; A37-V42 WeakPolarHBondContact O-CB 2.81Å; A37-V42 WeakPolarHBondContact O-CG2 3.37Å; A37-V42 PolarHBondContact O-N 3.2Å; R38-V42 WeakPolarHBondContact CD-O 3.49Å; R38-V42 PolarHBondContact NH1-O 3.46Å; V42-R44 WeakPolarHBondContact CG1-O 3.45Å; V42-I45 HydrophobicContact CG1-CG1 3.7Å
43K97.2Very high97.1Very high175 Ų17592.3 Ų92.376%0.76148%0.475SS*.SBendtrans-84.1-36.2-179.2-171.6174.9-177.8175.20114.4R38 G41R38-K43 PolarHBondContact NH1-O 3.41Å; G41-K43 PolarHBondContact O-N 2.9Å
44R97.1Very high97Very high215 Ų21593.5 Ų93.581%0.81148%0.479SS*.  trans-136.1144176.3-67.3-174.5-179.2-851.8109.6V42V42-R44 WeakPolarHBondContact CG1-O 3.45Å
45I96.6Very high97Very high39 Ų3990 Ų9020%0.248%0.477CS..  trans-128.2126.5-176.7-55.4169.7000107.3R34 A37 V42 I49 Y50R34-I45 HydrophobicContact CB-CD1 4.41Å; R34-I45 HydrophobicContact CG-CD1 4.17Å; A37-I45 HydrophobicContact CB-CD1 3.47Å; A37-I45 VanDerWaalsContact CB-CD1 3.47Å; A37-I45 HydrophobicContact CB-CG1 4.19Å; V42-I45 HydrophobicContact CG1-CG1 3.7Å; I45-I49 HydrophobicContact CG2-CB 3.99Å; I45-I49 HydrophobicContact CG2-CG1 4.47Å; I45-I49 HydrophobicContact CG2-CG2 4.09Å; I45-Y50 HydrophobicContact CG2-CE1 4.41Å
46S96.5Very high97Very high72 Ų7287 Ų8750%0.50348%0.475SS..  trans-74.8151173.5179.90000111.3V48 I49S46-V48 PolarHBondContact O-N 3.43Å; S46-I49 WeakPolarHBondContact O-CB 3.4Å; S46-I49 PolarHBondContact O-N 3.45Å
47G95.4Very high96.9Very high49 Ų4985.3 Ų85.351%0.50547%0.466SS..THydrogen-bonded Turntrans-60.4-31.4-179.300000113.9I49 Y50G47-I49 VanDerWaalsContact C-N 3.27Å; G47-I49 PolarHBondContact O-N 2.87Å; G47-Y50 WeakPolarHBondContact O-CD2 3.34Å
48V96.3Very high96.9Very high108 Ų10889.2 Ų89.266%0.65548%0.479SS*.THydrogen-bonded Turntrans-69.7-23.6180-59.80000113.3S46 Y50 D51 E52S46-V48 PolarHBondContact O-N 3.43Å; V48-Y50 PolarHBondContact O-N 3.33Å; V48-D51 PolarHBondContact O-N 2.78Å; V48-E52 PolarHBondContact O-N 3.21Å
49I96.8Very high96.8Very high70 Ų7086.6 Ų86.636%0.35948%0.481SS..Hα-helixtrans-66-23.9-175.9-61.7-62.8000111.9I45 S46 G47 D51 E52 V53I45-I49 HydrophobicContact CG2-CB 3.99Å; I45-I49 HydrophobicContact CG2-CG1 4.47Å; I45-I49 HydrophobicContact CG2-CG2 4.09Å; S46-I49 WeakPolarHBondContact O-CB 3.4Å; S46-I49 PolarHBondContact O-N 3.45Å; G47-I49 VanDerWaalsContact C-N 3.27Å; G47-I49 PolarHBondContact O-N 2.87Å; I49-D51 PolarHBondContact O-N 3.02Å; I49-E52 PolarHBondContact O-N 3.45Å; I49-V53 HydrophobicContact CG2-CG2 3.73Å; I49-V53 WeakPolarHBondContact O-CB 3.44Å; I49-V53 WeakPolarHBondContact O-CG2 3.28Å; I49-V53 PolarHBondContact O-N 3.35Å
50Y96.8Very high96.7Very high30 Ų3081.5 Ų81.512%0.11846%0.464CS..Hα-helixtrans-64.5-40.8-178.4-62.9-59000112.9R30 I33 I45 G47 V48 R54R30-Y50 HydrophobicContact CB-CD1 4.06Å; R30-Y50 HydrophobicContact CB-CE1 3.98Å; R30-Y50 HydrophobicContact CB-CG 4.48Å; R30-Y50 HydrophobicContact CG-CD1 3.9Å; R30-Y50 HydrophobicContact CG-CD2 4.02Å; R30-Y50 HydrophobicContact CG-CE1 4.21Å; R30-Y50 HydrophobicContact CG-CE2 4.31Å; R30-Y50 HydrophobicContact CG-CG 3.84Å; I33-Y50 HydrophobicContact CB-CD1 4.1Å; I33-Y50 HydrophobicContact CB-CE1 4.48Å; I33-Y50 HydrophobicContact CD1-CD1 4.07Å; I33-Y50 WeakPolarHBondContact CD1-O 3.18Å; I33-Y50 HydrophobicContact CG2-CD1 3.94Å; I33-Y50 HydrophobicContact CG2-CE1 4.35Å; I45-Y50 HydrophobicContact CG2-CE1 4.41Å; G47-Y50 WeakPolarHBondContact O-CD2 3.34Å; V48-Y50 PolarHBondContact O-N 3.33Å; Y50-R54 WeakPolarHBondContact O-CG 3.47Å; Y50-R54 PolarHBondContact O-N 3.18Å
51D95.5Very high96.7Very high102 Ų10281.8 Ų81.855%0.54545%0.453SS..Hα-helixtrans-80.4-34.7179.9-67.2-42.8000111.4V48 I49 V53 R54 G55V48-D51 PolarHBondContact O-N 2.78Å; I49-D51 PolarHBondContact O-N 3.02Å; D51-V53 PolarHBondContact O-N 3.16Å; D51-R54 WeakPolarHBondContact O-CB 3.47Å; D51-R54 PolarHBondContact O-N 3.34Å; D51-R54 VanDerWaalsContact O-N 3.17Å; D51-R54 IonicContact OD1-CZ 3.93Å; D51-R54 IonicContact OD1-NH1 3.61Å; D51-R54 PolarHBondContact OD1-NH1 3.3Å; D51-G55 PolarHBondContact O-N 2.93Å
52E96.7Very high96.6Very high124 Ų12483.1 Ų83.158%0.57944%0.442SS*.Hα-helixtrans-59.5-48.8173.3-170.657.9-152.400111.7V48 I49 R54 G55 V56V48-E52 PolarHBondContact O-N 3.21Å; I49-E52 PolarHBondContact O-N 3.45Å; E52-R54 PolarHBondContact O-N 3.03Å; E52-G55 PolarHBondContact O-N 2.99Å; E52-V56 WeakPolarHBondContact O-CG2 3.28Å; E52-V56 PolarHBondContact O-N 3.04Å
53V97.3Very high96.6Very high47 Ų4780.7 Ų80.729%0.28543%0.429SS..Hα-helixtrans-61.4-33.2178171.50000111.6I33 I49 D51 L57I33-V53 HydrophobicContact CD1-CB 4.32Å; I33-V53 HydrophobicContact CD1-CG1 4.28Å; I33-V53 HydrophobicContact CG1-CG1 4.14Å; I33-V53 HydrophobicContact CG2-CB 4.1Å; I33-V53 HydrophobicContact CG2-CG1 3.99Å; I33-V53 HydrophobicContact CG2-CG2 4.12Å; I49-V53 HydrophobicContact CG2-CG2 3.73Å; I49-V53 WeakPolarHBondContact O-CB 3.44Å; I49-V53 WeakPolarHBondContact O-CG2 3.28Å; I49-V53 PolarHBondContact O-N 3.35Å; D51-V53 PolarHBondContact O-N 3.16Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 PolarHBondContact O-N 3.02Å
54R97Very high96.6Very high31 Ų3173 Ų7312%0.11740%0.396CS..Hα-helixtrans-66.4-42.2174.8-77.1177.2-170.91173.7111.9V25 I28 I33 Y50 D51 E52 K58V25-R54 HydrophobicContact CG1-CB 3.71Å; V25-R54 HydrophobicContact CG1-CG 4.1Å; I28-R54 PolarHBondContact O-NE 3.47Å; I28-R54 VanDerWaalsContact O-NE 3.08Å; I28-R54 PolarHBondContact O-NH2 3.07Å; I33-R54 HydrophobicContact CD1-CG 4.27Å; Y50-R54 WeakPolarHBondContact O-CG 3.47Å; Y50-R54 PolarHBondContact O-N 3.18Å; D51-R54 WeakPolarHBondContact O-CB 3.47Å; D51-R54 PolarHBondContact O-N 3.34Å; D51-R54 VanDerWaalsContact O-N 3.17Å; D51-R54 IonicContact OD1-CZ 3.93Å; D51-R54 IonicContact OD1-NH1 3.61Å; D51-R54 PolarHBondContact OD1-NH1 3.3Å; E52-R54 PolarHBondContact O-N 3.03Å; R54-K58 VanDerWaalsContact O-CB 3.28Å; R54-K58 WeakPolarHBondContact O-CB 3.26Å; R54-K58 PolarHBondContact O-N 3.26Å
55G96.4Very high96.7Very high35 Ų3566.4 Ų66.436%0.36138%0.38SS..Hα-helixtrans-61.8-46.8175.300000112.3D51 E52 K58 S59D51-G55 PolarHBondContact O-N 2.93Å; E52-G55 PolarHBondContact O-N 2.99Å; G55-K58 PolarHBondContact O-N 2.9Å; G55-S59 PolarHBondContact O-N 3.23Å; G55-S59 PolarHBondContact O-OG 3.12Å
56V97.1Very high96.7Very high88 Ų8872.9 Ų72.953%0.53340%0.402SS..Hα-helixtrans-62.7-47.3177.2175.10000111.3E52 K58 S59 F60E52-V56 WeakPolarHBondContact O-CG2 3.28Å; E52-V56 PolarHBondContact O-N 3.04Å; V56-K58 VanDerWaalsContact C-N 3.34Å; V56-K58 PolarHBondContact O-N 3.18Å; V56-S59 PolarHBondContact O-N 2.98Å; V56-F60 WeakPolarHBondContact O-CB 3.45Å; V56-F60 PolarHBondContact O-N 3.5Å
57L96.8Very high96.7Very high60 Ų6070.4 Ų70.431%0.31438%0.383SS..Hα-helixtrans-62.5-42.4179.6179.761.9000111.6I28 V53 F60 V61I28-L57 HydrophobicContact CD1-CD2 4.08Å; I28-L57 HydrophobicContact CG1-CD2 3.84Å; I28-L57 HydrophobicContact CG2-CD2 4.14Å; V53-L57 WeakPolarHBondContact O-CB 3.34Å; V53-L57 PolarHBondContact O-N 3.02Å; L57-F60 PolarHBondContact O-N 3.4Å; L57-V61 HydrophobicContact CD1-CG2 4.17Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 2.98Å
58K96.1Very high96.8Very high102 Ų10268.2 Ų68.244%0.44336%0.36SS..Hα-helixtrans-58.6-52175.5-179.5-175.6172.9-177.10110.6V25 R54 G55 V56 F60 V61 E62V25-K58 HydrophobicContact CG1-CB 4.42Å; V25-K58 HydrophobicContact CG2-CD 4.13Å; V25-K58 HydrophobicContact CG2-CG 4.48Å; R54-K58 VanDerWaalsContact O-CB 3.28Å; R54-K58 WeakPolarHBondContact O-CB 3.26Å; R54-K58 PolarHBondContact O-N 3.26Å; G55-K58 PolarHBondContact O-N 2.9Å; V56-K58 VanDerWaalsContact C-N 3.34Å; V56-K58 PolarHBondContact O-N 3.18Å; K58-F60 VanDerWaalsContact C-N 3.3Å; K58-F60 PolarHBondContact O-N 2.97Å; K58-V61 PolarHBondContact O-N 2.97Å; K58-E62 WeakPolarHBondContact CE-OE1 3.49Å; K58-E62 HydrophobicContact CG-CG 4.28Å; K58-E62 IonicContact NZ-OE1 3.86Å; K58-E62 WeakPolarHBondContact O-CB 3.49Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.22Å
59S96.6Very high96.9Very high75 Ų7565.3 Ų65.352%0.52434%0.343SS..Hα-helixtrans-60.4-39.8-178.7-54.70000112.2G55 V56 G63G55-S59 PolarHBondContact O-N 3.23Å; G55-S59 PolarHBondContact O-OG 3.12Å; V56-S59 PolarHBondContact O-N 2.98Å; S59-G63 PolarHBondContact O-N 3.4Å
60F96.6Very high97Very high100 Ų10064.4 Ų64.444%0.43935%0.346SS..Hα-helixtrans-61.9-52.3175.5177-98.2000111.8V56 L57 K58 G63 V64 L89V56-F60 WeakPolarHBondContact O-CB 3.45Å; V56-F60 PolarHBondContact O-N 3.5Å; L57-F60 PolarHBondContact O-N 3.4Å; K58-F60 VanDerWaalsContact C-N 3.3Å; K58-F60 PolarHBondContact O-N 2.97Å; F60-G63 PolarHBondContact O-N 2.89Å; F60-V64 HydrophobicContact CE1-CG2 4.09Å; F60-V64 HydrophobicContact CE2-CG2 4.26Å; F60-V64 HydrophobicContact CZ-CG2 3.95Å; F60-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.22Å; F60-V64 VanDerWaalsContact O-N 3.1Å; F60-L89 HydrophobicContact CZ-CD2 4.18Å
61V96.6Very high97Very high70 Ų7066.7 Ų66.742%0.42436%0.355SS..Hα-helixtrans-65.6-42.9-1781740000111.2L57 K58 G63 V64 V65L57-V61 HydrophobicContact CD1-CG2 4.17Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 2.98Å; K58-V61 PolarHBondContact O-N 2.97Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 2.89Å; V61-V64 PolarHBondContact O-N 3.07Å; V61-V65 HydrophobicContact CG1-CG2 3.95Å; V61-V65 WeakPolarHBondContact O-CB 3.48Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 2.77Å
62E96.7Very high97.1Very high94 Ų9462.1 Ų62.144%0.43933%0.33SS..Hα-helixtrans-56.2-43.3177-79.5-179.7167.200111.7K58 R66K58-E62 WeakPolarHBondContact CE-OE1 3.49Å; K58-E62 HydrophobicContact CG-CG 4.28Å; K58-E62 IonicContact NZ-OE1 3.86Å; K58-E62 WeakPolarHBondContact O-CB 3.49Å; K58-E62 WeakPolarHBondContact O-CG 3.42Å; K58-E62 PolarHBondContact O-N 3.22Å; E62-R66 VanDerWaalsContact O-CB 3.3Å; E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 PolarHBondContact O-N 3.36Å
63G97.1Very high97.1Very high9 Ų963.1 Ų63.19%0.09334%0.335CS..Hα-helixtrans-64.8-49.9176.300000112.7S59 F60 V61 V65 R66 D67 R92S59-G63 PolarHBondContact O-N 3.4Å; F60-G63 PolarHBondContact O-N 2.89Å; V61-G63 VanDerWaalsContact C-N 3.26Å; V61-G63 PolarHBondContact O-N 2.89Å; G63-V65 VanDerWaalsContact C-N 3.3Å; G63-V65 PolarHBondContact O-N 2.77Å; G63-R66 WeakPolarHBondContact O-CB 3.4Å; G63-R66 PolarHBondContact O-N 3.24Å; G63-D67 PolarHBondContact O-N 3.45Å; G63-D67 VanDerWaalsContact O-N 3.12Å; G63-R92 VanDerWaalsContact CA-NH1 3.33Å; G63-R92 VanDerWaalsContact O-CZ 3.27Å; G63-R92 PolarHBondContact O-NH2 3.22Å
64V97.5Very high97.1Very high12 Ų1270.5 Ų70.57%0.07336%0.359CS..Hα-helixtrans-61.2-42.4-178.5174.60000110.8F60 V61 D67 A68 V85 A88 L89F60-V64 HydrophobicContact CE1-CG2 4.09Å; F60-V64 HydrophobicContact CE2-CG2 4.26Å; F60-V64 HydrophobicContact CZ-CG2 3.95Å; F60-V64 WeakPolarHBondContact O-CG2 3.46Å; F60-V64 PolarHBondContact O-N 3.22Å; F60-V64 VanDerWaalsContact O-N 3.1Å; V61-V64 PolarHBondContact O-N 3.07Å; V64-D67 PolarHBondContact O-N 3.48Å; V64-A68 WeakPolarHBondContact O-CB 3.43Å; V64-A68 PolarHBondContact O-N 3.03Å; V64-V85 HydrophobicContact CG1-CG1 4.06Å; V64-A88 HydrophobicContact CG1-CB 4.38Å; V64-L89 HydrophobicContact CB-CD2 4.46Å; V64-L89 HydrophobicContact CG1-CD2 3.86Å; V64-L89 HydrophobicContact CG1-CG 4.01Å; V64-L89 HydrophobicContact CG2-CD2 3.66Å
65V97.4Very high97Very high77 Ų7771.6 Ų71.647%0.46737%0.372SS..Hα-helixtrans-67.1-37.5178.31740000111.4V61 G63 D67 A68 T69V61-V65 HydrophobicContact CG1-CG2 3.95Å; V61-V65 WeakPolarHBondContact O-CB 3.48Å; V61-V65 VanDerWaalsContact O-CG2 3.28Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 2.77Å; G63-V65 VanDerWaalsContact C-N 3.3Å; G63-V65 PolarHBondContact O-N 2.77Å; V65-D67 PolarHBondContact O-N 2.9Å; V65-A68 PolarHBondContact O-N 2.94Å; V65-T69 HydrophobicContact CG1-CG2 4.12Å; V65-T69 WeakPolarHBondContact O-CB 3.28Å; V65-T69 WeakPolarHBondContact O-CG2 3.48Å; V65-T69 PolarHBondContact O-N 3.28Å; V65-T69 PolarHBondContact O-OG1 3.41Å
66R97.6Very high97Very high176 Ų17681.2 Ų81.266%0.66440%0.397SS*.Hα-helixtrans-59.8-46.1174.8-174.8-175.6-60.81761111.9E62 G63 T69 A70E62-R66 VanDerWaalsContact O-CB 3.3Å; E62-R66 WeakPolarHBondContact O-CB 3.49Å; E62-R66 PolarHBondContact O-N 3.36Å; G63-R66 WeakPolarHBondContact O-CB 3.4Å; G63-R66 PolarHBondContact O-N 3.24Å; R66-T69 WeakPolarHBondContact CA-OG1 3.3Å; R66-T69 PolarHBondContact O-OG1 3.06Å; R66-A70 PolarHBondContact O-N 2.93Å
67D97.3Very high97Very high20 Ų2082.2 Ų82.211%0.10739%0.394CS..Hα-helixtrans-69-39.7177.7-72.2-50.3000111.6G63 V64 V65 A70 Y71 A88 K91 R92G63-D67 PolarHBondContact O-N 3.45Å; G63-D67 VanDerWaalsContact O-N 3.12Å; V64-D67 PolarHBondContact O-N 3.48Å; V65-D67 PolarHBondContact O-N 2.9Å; D67-A70 WeakPolarHBondContact O-CB 3.36Å; D67-A70 PolarHBondContact O-N 3.34Å; D67-Y71 WeakPolarHBondContact O-CD2 3.18Å; D67-Y71 PolarHBondContact O-N 3.24Å; D67-A88 HydrophobicContact CB-CB 3.6Å; D67-K91 IonicContact OD1-NZ 3.78Å; D67-K91 PolarHBondContact OD1-NZ 3.2Å; D67-R92 IonicContact OD2-CZ 2.7Å; D67-R92 VanDerWaalsContact OD2-CZ 3.22Å; D67-R92 IonicContact OD2-NE 2.72Å; D67-R92 PolarHBondContact OD2-NE 3.37Å; D67-R92 IonicContact OD2-NH2 3.43Å; D67-R92 PolarHBondContact OD2-NH2 2.94Å
68A97.6Very high97Very high3 Ų389.6 Ų89.63%0.02542%0.424CS..Hα-helixtrans-64.8-43.9178.800000112V64 V65 A70 Y71 T72 V80 D84 V85 A88V64-A68 WeakPolarHBondContact O-CB 3.43Å; V64-A68 PolarHBondContact O-N 3.03Å; V65-A68 PolarHBondContact O-N 2.94Å; A68-A70 VanDerWaalsContact C-N 3.3Å; A68-A70 PolarHBondContact O-N 2.76Å; A68-Y71 PolarHBondContact O-N 3.45Å; A68-Y71 VanDerWaalsContact O-N 3.17Å; A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 2.96Å; A68-T72 VanDerWaalsContact O-OG1 3.09Å; A68-V80 HydrophobicContact CB-CG1 4.12Å; A68-D84 HydrophobicContact CB-CB 4.38Å; A68-V85 HydrophobicContact CB-CG2 4.15Å; A68-A88 HydrophobicContact CB-CB 3.97Å
69T97.8Very high97Very high47 Ų4789.7 Ų89.729%0.28843%0.433SS..Hα-helixtrans-63.1-35.4176.947.10000112V65 R66 Y71 T72 E73 V80V65-T69 HydrophobicContact CG1-CG2 4.12Å; V65-T69 WeakPolarHBondContact O-CB 3.28Å; V65-T69 WeakPolarHBondContact O-CG2 3.48Å; V65-T69 PolarHBondContact O-N 3.28Å; V65-T69 PolarHBondContact O-OG1 3.41Å; R66-T69 WeakPolarHBondContact CA-OG1 3.3Å; R66-T69 PolarHBondContact O-OG1 3.06Å; T69-Y71 PolarHBondContact O-N 3.36Å; T69-T72 PolarHBondContact O-N 3.44Å; T69-E73 WeakPolarHBondContact O-CB 3.4Å; T69-E73 WeakPolarHBondContact O-CG 3.32Å; T69-E73 PolarHBondContact O-N 3.3Å; T69-V80 HydrophobicContact CG2-CG2 4.08Å
70A97.6Very high97.1Very high51 Ų5189.3 Ų89.342%0.42143%0.427SS..Hα-helixtrans-61.4-40.217300000112.8R66 D67 A68 Y74R66-A70 PolarHBondContact O-N 2.93Å; D67-A70 WeakPolarHBondContact O-CB 3.36Å; D67-A70 PolarHBondContact O-N 3.34Å; A68-A70 VanDerWaalsContact C-N 3.3Å; A68-A70 PolarHBondContact O-N 2.76Å; A70-Y74 WeakPolarHBondContact O-CB 3.34Å; A70-Y74 PolarHBondContact O-N 2.85Å
71Y96.8Very high97.1Very high77 Ų7786.7 Ų86.730%0.30242%0.42SS..Hα-helixtrans-66.6-40174.1-70.8-62000112.6D67 A68 T69 Y74 S75 N87 A88D67-Y71 WeakPolarHBondContact O-CD2 3.18Å; D67-Y71 PolarHBondContact O-N 3.24Å; A68-Y71 PolarHBondContact O-N 3.45Å; A68-Y71 VanDerWaalsContact O-N 3.17Å; T69-Y71 PolarHBondContact O-N 3.36Å; Y71-Y74 PolarHBondContact O-N 3.06Å; Y71-S75 WeakPolarHBondContact O-CB 3.16Å; Y71-S75 PolarHBondContact O-N 3.4Å; Y71-S75 PolarHBondContact O-OG 3.37Å; Y71-N87 HydrophobicContact CD2-CB 3.98Å; Y71-N87 HydrophobicContact CE2-CB 3.73Å; Y71-A88 HydrophobicContact CE2-CB 4.37Å
72T97.8Very high97.1Very high6 Ų685.5 Ų85.54%0.03742%0.417CS..Hα-helixtrans-63.4-44.5176.7-55.70000111.4A68 T69 S75 R76 K77 T79 V80 D84A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 2.96Å; A68-T72 VanDerWaalsContact O-OG1 3.09Å; T69-T72 PolarHBondContact O-N 3.44Å; T72-S75 PolarHBondContact O-N 2.85Å; T72-R76 PolarHBondContact O-N 3.14Å; T72-K77 HydrophobicContact CG2-CB 3.87Å; T72-K77 WeakPolarHBondContact CG2-O 3.36Å; T72-K77 PolarHBondContact O-N 3.34Å; T72-T79 WeakPolarHBondContact CG2-O 3.33Å; T72-V80 HydrophobicContact CG2-CG2 4.3Å; T72-V80 WeakPolarHBondContact OG1-CA 3.42Å; T72-D84 VanDerWaalsContact OG1-CG 3.31Å; T72-D84 PolarHBondContact OG1-OD2 3.17Å
73E97.3Very high97Very high146 Ų14684 Ų8468%0.68241%0.414SS*.Hα-helixtrans-63.9-45.7176.5-75.5178.2172.300111.6T69 S75 R76T69-E73 WeakPolarHBondContact O-CB 3.4Å; T69-E73 WeakPolarHBondContact O-CG 3.32Å; T69-E73 PolarHBondContact O-N 3.3Å; E73-S75 PolarHBondContact O-N 3.29Å; E73-R76 PolarHBondContact O-N 2.99Å
74Y97.1Very high97Very high202 Ų20283.8 Ų83.879%0.79241%0.411SS*.Hα-helixtrans-56.1-39.7174.6177.9-100.3000112A70 Y71 R76A70-Y74 WeakPolarHBondContact O-CB 3.34Å; A70-Y74 PolarHBondContact O-N 2.85Å; Y71-Y74 PolarHBondContact O-N 3.06Å; Y74-R76 PolarHBondContact O-N 2.91Å
75S95.8Very high96.9Very high54 Ų5485.6 Ų85.638%0.37842%0.422SS..THydrogen-bonded Turntrans-77.32.3178.1-56.50000114.1Y71 T72 E73 K77Y71-S75 WeakPolarHBondContact O-CB 3.16Å; Y71-S75 PolarHBondContact O-N 3.4Å; Y71-S75 PolarHBondContact O-OG 3.37Å; T72-S75 PolarHBondContact O-N 2.85Å; E73-S75 PolarHBondContact O-N 3.29Å; S75-K77 PolarHBondContact O-N 3.28Å
76R96.8Very high96.9Very high236 Ų23683.3 Ų83.389%0.89141%0.408SS*.THydrogen-bonded Turntrans54.830-174.1-54.9-180-176.5176.90.6113.4T72 E73 Y74T72-R76 PolarHBondContact O-N 3.14Å; E73-R76 PolarHBondContact O-N 2.99Å; Y74-R76 PolarHBondContact O-N 2.91Å
77K96.8Very high96.8Very high109 Ų10977.8 Ų77.847%0.47439%0.392SS..  trans-96.6155.2177.6-68.2173.8-174.11710109.8T72 S75T72-K77 HydrophobicContact CG2-CB 3.87Å; T72-K77 WeakPolarHBondContact CG2-O 3.36Å; T72-K77 PolarHBondContact O-N 3.34Å; S75-K77 PolarHBondContact O-N 3.28Å
78K95.9Very high96.8Very high216 Ų21676.8 Ų76.894%0.93939%0.386SS*.SBendtrans-105.3-2.2173.1-64.2-177.5-179.1177.20113.1
79T97.5Very high96.8Very high104 Ų10477.5 Ų77.564%0.63839%0.39SS*.SBendtrans-122.6119.9-176.1-52.90000108.1T72 T81T72-T79 WeakPolarHBondContact CG2-O 3.33Å; T79-T81 PolarHBondContact O-N 3.44Å
80V97Very high96.7Very high66 Ų6683.7 Ų83.740%0.441%0.408SS..  trans-67.9124.6172.8-177.80000108.4A68 T69 T72 D84 V85A68-V80 HydrophobicContact CB-CG1 4.12Å; T69-V80 HydrophobicContact CG2-CG2 4.08Å; T72-V80 HydrophobicContact CG2-CG2 4.3Å; T72-V80 WeakPolarHBondContact OG1-CA 3.42Å; V80-D84 HydrophobicContact CG1-CB 4.07Å; V80-V85 HydrophobicContact CG1-CG2 3.96Å
81T96.7Very high96.6Very high46 Ų4687.6 Ų87.628%0.28242%0.415SS..  trans-94.7162.7179.363.90000111.1T79 V83 D84 V85T79-T81 PolarHBondContact O-N 3.44Å; T81-V83 PolarHBondContact O-N 2.94Å; T81-D84 PolarHBondContact N-OD2 2.89Å; T81-D84 WeakPolarHBondContact O-CB 3.45Å; T81-D84 PolarHBondContact O-N 3.25Å; T81-D84 VanDerWaalsContact O-N 3.17Å; T81-D84 PolarHBondContact OG1-N 3.34Å; T81-D84 PolarHBondContact OG1-OD2 2.83Å; T81-V85 PolarHBondContact O-N 3.03Å
82A96.2Very high96.4Very high44 Ų4488.6 Ų88.636%0.36442%0.418SS..Hα-helixtrans-57.6-39.8174.300000111.4D84 V85 V86A82-D84 VanDerWaalsContact C-N 3.33Å; A82-D84 PolarHBondContact O-N 3.28Å; A82-V85 PolarHBondContact O-N 3.29Å; A82-V85 VanDerWaalsContact O-N 3.14Å; A82-V86 WeakPolarHBondContact O-CG2 3.48Å; A82-V86 PolarHBondContact O-N 3.28Å
83V95.6Very high96.3Very high62 Ų6291.2 Ų91.238%0.37645%0.447SS..Hα-helixtrans-57.7-42.1175.9-179.20000112.1T81 V85 V86 N87 A100T81-V83 PolarHBondContact O-N 2.94Å; V83-V85 VanDerWaalsContact C-N 3.28Å; V83-V85 PolarHBondContact O-N 3.39Å; V83-V86 PolarHBondContact O-N 2.91Å; V83-N87 WeakPolarHBondContact O-CB 3.45Å; V83-N87 VanDerWaalsContact O-CG 3.26Å; V83-N87 PolarHBondContact O-N 2.77Å; V83-N87 PolarHBondContact O-ND2 3.36Å; V83-A100 WeakPolarHBondContact CG2-OXT 3.29Å
84D96.6Very high96.2Very high6 Ų690.5 Ų90.53%0.03244%0.442CS..Hα-helixtrans-61-40178.1-60.8-39.7000111.4A68 T72 V80 T81 A82 A88A68-D84 HydrophobicContact CB-CB 4.38Å; T72-D84 VanDerWaalsContact OG1-CG 3.31Å; T72-D84 PolarHBondContact OG1-OD2 3.17Å; V80-D84 HydrophobicContact CG1-CB 4.07Å; T81-D84 PolarHBondContact N-OD2 2.89Å; T81-D84 WeakPolarHBondContact O-CB 3.45Å; T81-D84 PolarHBondContact O-N 3.25Å; T81-D84 VanDerWaalsContact O-N 3.17Å; T81-D84 PolarHBondContact OG1-N 3.34Å; T81-D84 PolarHBondContact OG1-OD2 2.83Å; A82-D84 VanDerWaalsContact C-N 3.33Å; A82-D84 PolarHBondContact O-N 3.28Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 3.09Å
85V96.9Very high96Very high50 Ų5086.1 Ų86.130%0.30343%0.431SS..Hα-helixtrans-70.7-42.7177.4-175.60000111.2V64 A68 V80 T81 A82 V83 N87 A88 L89V64-V85 HydrophobicContact CG1-CG1 4.06Å; A68-V85 HydrophobicContact CB-CG2 4.15Å; V80-V85 HydrophobicContact CG1-CG2 3.96Å; T81-V85 PolarHBondContact O-N 3.03Å; A82-V85 PolarHBondContact O-N 3.29Å; A82-V85 VanDerWaalsContact O-N 3.14Å; V83-V85 VanDerWaalsContact C-N 3.28Å; V83-V85 PolarHBondContact O-N 3.39Å; V85-N87 VanDerWaalsContact C-N 3.3Å; V85-N87 PolarHBondContact O-N 2.85Å; V85-A88 WeakPolarHBondContact O-CB 3.4Å; V85-A88 PolarHBondContact O-N 3.02Å; V85-L89 HydrophobicContact CG1-CD1 4.07Å; V85-L89 HydrophobicContact CG1-CG 4.41Å; V85-L89 WeakPolarHBondContact O-CB 3.4Å; V85-L89 VanDerWaalsContact O-CG 3.29Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.47Å
86V96.9Very high95.9Very high29 Ų2987 Ų8718%0.17643%0.431CS..Hα-helixtrans-61.1-41.8176.6172.60000110.6A82 V83 L89 R90A82-V86 WeakPolarHBondContact O-CG2 3.48Å; A82-V86 PolarHBondContact O-N 3.28Å; V83-V86 PolarHBondContact O-N 2.91Å; V86-L89 PolarHBondContact O-N 3.17Å; V86-R90 WeakPolarHBondContact O-CB 3.38Å; V86-R90 PolarHBondContact O-N 3.35Å
87N95.6Very high95.8Very high59 Ų5984.6 Ų84.632%0.31642%0.423SS..Hα-helixtrans-65.8-42.7176.2-72.1-25.1000112.2Y71 V83 V85 L89 R90 K91Y71-N87 HydrophobicContact CD2-CB 3.98Å; Y71-N87 HydrophobicContact CE2-CB 3.73Å; V83-N87 WeakPolarHBondContact O-CB 3.45Å; V83-N87 VanDerWaalsContact O-CG 3.26Å; V83-N87 PolarHBondContact O-N 2.77Å; V83-N87 PolarHBondContact O-ND2 3.36Å; V85-N87 VanDerWaalsContact C-N 3.3Å; V85-N87 PolarHBondContact O-N 2.85Å; N87-L89 VanDerWaalsContact C-N 3.32Å; N87-L89 PolarHBondContact O-N 3.39Å; N87-R90 PolarHBondContact O-N 2.93Å; N87-K91 PolarHBondContact O-N 3.29Å
88A96.8Very high95.7Very high0 Ų083.3 Ų83.30%044%0.441CS..Hα-helixtrans-59.3-42.2174.100000112.5V64 D67 A68 Y71 D84 V85 R92V64-A88 HydrophobicContact CG1-CB 4.38Å; D67-A88 HydrophobicContact CB-CB 3.6Å; A68-A88 HydrophobicContact CB-CB 3.97Å; Y71-A88 HydrophobicContact CE2-CB 4.37Å; D84-A88 WeakPolarHBondContact O-CB 3.45Å; D84-A88 PolarHBondContact O-N 3.09Å; V85-A88 WeakPolarHBondContact O-CB 3.4Å; V85-A88 PolarHBondContact O-N 3.02Å; A88-R92 WeakPolarHBondContact O-CG 3.39Å; A88-R92 PolarHBondContact O-N 3.08Å
89L97.1Very high95.3Very high18 Ų1880.1 Ų80.19%0.09442%0.424CS..Hα-helixtrans-68.4-41.6176.5-71.5171.6000111.5F60 V64 V85 V86 N87 K91 R92 G93 K94 L96F60-L89 HydrophobicContact CZ-CD2 4.18Å; V64-L89 HydrophobicContact CB-CD2 4.46Å; V64-L89 HydrophobicContact CG1-CD2 3.86Å; V64-L89 HydrophobicContact CG1-CG 4.01Å; V64-L89 HydrophobicContact CG2-CD2 3.66Å; V85-L89 HydrophobicContact CG1-CD1 4.07Å; V85-L89 HydrophobicContact CG1-CG 4.41Å; V85-L89 WeakPolarHBondContact O-CB 3.4Å; V85-L89 VanDerWaalsContact O-CG 3.29Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.47Å; V86-L89 PolarHBondContact O-N 3.17Å; N87-L89 VanDerWaalsContact C-N 3.32Å; N87-L89 PolarHBondContact O-N 3.39Å; L89-K91 PolarHBondContact O-N 3.08Å; L89-R92 CarbonylContact O-C 3.11Å; L89-R92 WeakPolarHBondContact O-CA 3.48Å; L89-R92 PolarHBondContact O-N 3.1Å; L89-G93 PolarHBondContact O-N 3.11Å; L89-K94 CarbonylContact C-O 3.48Å; L89-K94 HydrophobicContact CB-CB 4.42Å; L89-K94 WeakPolarHBondContact CB-O 3.39Å; L89-K94 HydrophobicContact CD2-CB 4.38Å; L89-K94 CarbonylContact O-C 3.54Å; L89-K94 PolarHBondContact O-N 3.18Å; L89-K94 VanDerWaalsContact O-O 3.13Å; L89-L96 HydrophobicContact CD1-CB 4.02Å; L89-L96 HydrophobicContact CD1-CD2 3.73Å
90R95.6Very high93.9Very high177 Ų17781.6 Ų81.667%0.66845%0.447SS*.Hα-helixtrans-59.7-43.5175.2-175.6175.1177.6158.3-0.2111.9V86 N87 R92 G93V86-R90 WeakPolarHBondContact O-CB 3.38Å; V86-R90 PolarHBondContact O-N 3.35Å; N87-R90 PolarHBondContact O-N 2.93Å; R90-R92 PolarHBondContact O-N 3.04Å; R90-G93 PolarHBondContact O-N 3.17Å
91K95.2Very high93.7Very high133 Ų13382.4 Ų82.458%0.57845%0.449SS*.Hα-helixtrans-57.2-32.2174.4-178.2-175.3174-169.50112.5D67 N87 L89 G93D67-K91 IonicContact OD1-NZ 3.78Å; D67-K91 PolarHBondContact OD1-NZ 3.2Å; N87-K91 PolarHBondContact O-N 3.29Å; L89-K91 PolarHBondContact O-N 3.08Å; K91-G93 VanDerWaalsContact C-N 3.33Å
92R94Very high93.6Very high97 Ų9784.3 Ų84.337%0.36646%0.458SS..THydrogen-bonded Turntrans-88.57.9178.7-66.7169172.7-102.6-27.5113.9G63 D67 A88 L89 R90 K94G63-R92 VanDerWaalsContact CA-NH1 3.33Å; G63-R92 VanDerWaalsContact O-CZ 3.27Å; G63-R92 PolarHBondContact O-NH2 3.22Å; D67-R92 IonicContact OD2-CZ 2.7Å; D67-R92 VanDerWaalsContact OD2-CZ 3.22Å; D67-R92 IonicContact OD2-NE 2.72Å; D67-R92 PolarHBondContact OD2-NE 3.37Å; D67-R92 IonicContact OD2-NH2 3.43Å; D67-R92 PolarHBondContact OD2-NH2 2.94Å; A88-R92 WeakPolarHBondContact O-CG 3.39Å; A88-R92 PolarHBondContact O-N 3.08Å; L89-R92 CarbonylContact O-C 3.11Å; L89-R92 WeakPolarHBondContact O-CA 3.48Å; L89-R92 PolarHBondContact O-N 3.1Å; R90-R92 PolarHBondContact O-N 3.04Å; R92-K94 VanDerWaalsContact C-N 3.31Å; R92-K94 PolarHBondContact O-N 2.93Å
93G95.5Very high93.4Very high62 Ų6286.6 Ų86.664%0.63946%0.463SS*.THydrogen-bonded Turntrans71.522.7-17700000114L89 R90 K91L89-G93 PolarHBondContact O-N 3.11Å; R90-G93 PolarHBondContact O-N 3.17Å; K91-G93 VanDerWaalsContact C-N 3.33Å
94K94.2Very high93.3Very high131 Ų13188 Ų8857%0.5747%0.469SS*.  trans-117.690.5177.4-60.5-60.6-179.2-172.60109.4L89 R92 L96L89-K94 CarbonylContact C-O 3.48Å; L89-K94 HydrophobicContact CB-CB 4.42Å; L89-K94 WeakPolarHBondContact CB-O 3.39Å; L89-K94 HydrophobicContact CD2-CB 4.38Å; L89-K94 CarbonylContact O-C 3.54Å; L89-K94 PolarHBondContact O-N 3.18Å; L89-K94 VanDerWaalsContact O-O 3.13Å; R92-K94 VanDerWaalsContact C-N 3.31Å; R92-K94 PolarHBondContact O-N 2.93Å; K94-L96 PolarHBondContact O-N 3.09Å
95I93.3Very high93.1Very high110 Ų11093.1 Ų93.156%0.56450%0.496SS*.  trans-76.4127.9178.8-58.1174.8000109.1Y97I95-Y97 HydrophobicContact CG2-CD2 4.45Å; I95-Y97 HydrophobicContact CG2-CE1 4.06Å; I95-Y97 HydrophobicContact CG2-CE2 3.88Å
96L94.8Very high92.9Very high73 Ų7396 Ų9638%0.38251%0.509SS..  trans-114.9126.3177.2-175.864.7000109.5L89 K94 Y99L89-L96 HydrophobicContact CD1-CB 4.02Å; L89-L96 HydrophobicContact CD1-CD2 3.73Å; K94-L96 PolarHBondContact O-N 3.09Å; L96-Y99 HydrophobicContact CD1-CD2 4.37Å; L96-Y99 HydrophobicContact CD1-CE2 4.07Å; L96-Y99 HydrophobicContact CD2-CD2 3.58Å; L96-Y99 HydrophobicContact CD2-CE2 3.64Å; L96-Y99 HydrophobicContact CD2-CG 4.39Å; L96-Y99 HydrophobicContact CG-CD2 3.66Å; L96-Y99 HydrophobicContact CG-CE2 3.82Å
97Y94.3Very high92.6Very high184 Ų184100.8 Ų100.872%0.72253%0.532SS*.  trans-101157.9178.5-60.6-80.9000111.4I95 Y99I95-Y97 HydrophobicContact CG2-CD2 4.45Å; I95-Y97 HydrophobicContact CG2-CE1 4.06Å; I95-Y97 HydrophobicContact CG2-CE2 3.88Å; Y97-Y99 WeakPolarHBondContact O-CD2 3.21Å
98G94.1Very high92.3Very high83 Ų83104 Ų10486%0.85655%0.549SS*.SBendtrans87.810.2174.700000115.4
99Y88Confident92Very high149 Ų149112.7 Ų112.758%0.58460%0.595SS**  trans-124.8113.3176.1-62.6-90.9000108.7L96 Y97L96-Y99 HydrophobicContact CD1-CD2 4.37Å; L96-Y99 HydrophobicContact CD1-CE2 4.07Å; L96-Y99 HydrophobicContact CD2-CD2 3.58Å; L96-Y99 HydrophobicContact CD2-CE2 3.64Å; L96-Y99 HydrophobicContact CD2-CG 4.39Å; L96-Y99 HydrophobicContact CG-CD2 3.66Å; L96-Y99 HydrophobicContact CG-CE2 3.82Å; Y97-Y99 WeakPolarHBondContact O-CD2 3.21Å
100A67.8Low91.5Very high135 Ų135121.3 Ų121.3100%1.11664%0.64SS**  trans-115.8017200000109V83V83-A100 WeakPolarHBondContact CG2-OXT 3.29Å

Retrieved 100 of 100 residues in 183.4 ms (Link to these results)