A0A077ZJP3_TRITR Loading...

Histone domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 66 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
1M67.3Low91.5Very high223 Ų223107.9 Ų107.9100%1.09956%0.558SS**  0121.40-63.8-51.3-175.400107.9
2S90.9Very high91.9Very high69 Ų69107.6 Ų107.648%0.48356%0.557SS.*  trans-82.1152176.167.30000108.6L4 S5 F6S2-L4 PolarHBondContact O-N 2.96Å; S2-S5 PolarHBondContact N-OG 2.91Å; S2-S5 PolarHBondContact O-N 2.99Å; S2-S5 VanDerWaalsContact O-N 3.09Å; S2-S5 PolarHBondContact O-OG 3.28Å; S2-S5 PolarHBondContact OG-N 3.38Å; S2-S5 VanDerWaalsContact OG-N 3.1Å; S2-F6 PolarHBondContact O-N 3.42Å
3V92.5Very high92.3Very high107 Ų107107.5 Ų107.565%0.64855%0.553SS**Hα-helixtrans-54.3-36.3172.9172.30000110.4F6 F7V3-F6 PolarHBondContact O-N 3Å; V3-F7 HydrophobicContact CG1-CD2 3.6Å; V3-F7 HydrophobicContact CG1-CE2 3.31Å; V3-F7 WeakPolarHBondContact O-CD2 3.45Å; V3-F7 PolarHBondContact O-N 2.9Å; V3-F7 VanDerWaalsContact O-N 3.1Å
4L93.2Very high92.6Very high113 Ų113101.3 Ų101.359%0.59252%0.522SS*.Hα-helixtrans-61.8-43.6176.1-17959.7000113.4S2 F6 F7 N8S2-L4 PolarHBondContact O-N 2.96Å; L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 PolarHBondContact O-N 3Å; L4-F7 PolarHBondContact O-N 3.29Å; L4-N8 PolarHBondContact O-N 3.49Å; L4-N8 PolarHBondContact O-ND2 2.87Å
5S95Very high92.9Very high34 Ų3497.2 Ų97.224%0.23851%0.51CS..Hα-helixtrans-64.1-42.1179.2670000111.1S2 F7 N8 D9S2-S5 PolarHBondContact N-OG 2.91Å; S2-S5 PolarHBondContact O-N 2.99Å; S2-S5 VanDerWaalsContact O-N 3.09Å; S2-S5 PolarHBondContact O-OG 3.28Å; S2-S5 PolarHBondContact OG-N 3.38Å; S2-S5 VanDerWaalsContact OG-N 3.1Å; S5-F7 PolarHBondContact O-N 3.12Å; S5-N8 PolarHBondContact O-N 3.14Å; S5-D9 PolarHBondContact O-N 3.26Å
6F92.9Very high93.2Very high128 Ų12894.5 Ų94.556%0.56150%0.498SS*.Hα-helixtrans-59.4-44.5175.7172.2-102.6000112.5S2 V3 L4 N8 D9 V10S2-F6 PolarHBondContact O-N 3.42Å; V3-F6 PolarHBondContact O-N 3Å; L4-F6 VanDerWaalsContact C-N 3.33Å; L4-F6 PolarHBondContact O-N 3Å; F6-N8 PolarHBondContact O-N 3.35Å; F6-D9 PolarHBondContact O-N 3.34Å; F6-V10 HydrophobicContact CD2-CG2 4.35Å; F6-V10 HydrophobicContact CE1-CG2 4.3Å; F6-V10 HydrophobicContact CE2-CG2 3.88Å; F6-V10 HydrophobicContact CZ-CG2 3.85Å; F6-V10 WeakPolarHBondContact O-CG2 3.27Å; F6-V10 PolarHBondContact O-N 3.44Å; F6-V10 VanDerWaalsContact O-N 3.13Å
7F93.8Very high93.4Very high128 Ų12891.4 Ų91.456%0.56148%0.481SS*.Hα-helixtrans-62.9-42177.3-83.6-66.1000112.6V3 L4 S5 V10 F11V3-F7 HydrophobicContact CG1-CD2 3.6Å; V3-F7 HydrophobicContact CG1-CE2 3.31Å; V3-F7 WeakPolarHBondContact O-CD2 3.45Å; V3-F7 PolarHBondContact O-N 2.9Å; V3-F7 VanDerWaalsContact O-N 3.1Å; L4-F7 PolarHBondContact O-N 3.29Å; S5-F7 PolarHBondContact O-N 3.12Å; F7-V10 PolarHBondContact O-N 3.46Å; F7-F11 VanDerWaalsContact O-CB 3.27Å; F7-F11 WeakPolarHBondContact O-CB 3.38Å; F7-F11 PolarHBondContact O-N 2.85Å
8N95.6Very high93.6Very high89 Ų8986.3 Ų86.348%0.47645%0.454SS..Hα-helixtrans-64.2-42.6178.7-71-17.1000111.5L4 S5 F6 V10 F11 D12L4-N8 PolarHBondContact O-N 3.49Å; L4-N8 PolarHBondContact O-ND2 2.87Å; S5-N8 PolarHBondContact O-N 3.14Å; F6-N8 PolarHBondContact O-N 3.35Å; N8-V10 PolarHBondContact O-N 2.93Å; N8-F11 PolarHBondContact O-N 3.25Å; N8-D12 WeakPolarHBondContact O-CB 3.5Å; N8-D12 PolarHBondContact O-N 3.21Å
9D95Very high93.8Very high96 Ų9685.7 Ų85.751%0.51346%0.458SS..Hα-helixtrans-61.9-45.3178.5-64.1-19.5000111.4S5 F6 Q13S5-D9 PolarHBondContact O-N 3.26Å; F6-D9 PolarHBondContact O-N 3.34Å; D9-Q13 WeakPolarHBondContact O-CB 3.5Å; D9-Q13 VanDerWaalsContact O-CG 3.28Å; D9-Q13 WeakPolarHBondContact O-CG 3.26Å; D9-Q13 PolarHBondContact O-N 2.92Å; D9-Q13 VanDerWaalsContact O-N 3.09Å
10V94Very high93.9Very high51 Ų5189.5 Ų89.531%0.30947%0.465SS..Hα-helixtrans-66.8-39.2177.7174.20000111.6F6 F7 N8 T14F6-V10 HydrophobicContact CD2-CG2 4.35Å; F6-V10 HydrophobicContact CE1-CG2 4.3Å; F6-V10 HydrophobicContact CE2-CG2 3.88Å; F6-V10 HydrophobicContact CZ-CG2 3.85Å; F6-V10 WeakPolarHBondContact O-CG2 3.27Å; F6-V10 PolarHBondContact O-N 3.44Å; F6-V10 VanDerWaalsContact O-N 3.13Å; F7-V10 PolarHBondContact O-N 3.46Å; N8-V10 PolarHBondContact O-N 2.93Å; V10-T14 WeakPolarHBondContact O-CB 3.44Å; V10-T14 PolarHBondContact O-N 2.83Å; V10-T14 PolarHBondContact O-OG1 3.2Å
11F96Very high94.1Very high149 Ų14986.6 Ų86.665%0.65445%0.45SS*.Hα-helixtrans-63.5-48.4177.5178.5-93.9000111.4F7 N8 Q13 T14 A15F7-F11 VanDerWaalsContact O-CB 3.27Å; F7-F11 WeakPolarHBondContact O-CB 3.38Å; F7-F11 PolarHBondContact O-N 2.85Å; N8-F11 PolarHBondContact O-N 3.25Å; F11-Q13 PolarHBondContact O-N 3.29Å; F11-T14 PolarHBondContact O-N 3.37Å; F11-A15 WeakPolarHBondContact O-CB 3.48Å; F11-A15 PolarHBondContact O-N 3.09Å
12D97.1Very high95.5Very high104 Ų10476.1 Ų76.156%0.55640%0.399SS*.Hα-helixtrans-62.8-43-179.3-17254.1000111.8N8 T14 A15 T16N8-D12 WeakPolarHBondContact O-CB 3.5Å; N8-D12 PolarHBondContact O-N 3.21Å; D12-T14 PolarHBondContact O-N 2.8Å; D12-A15 PolarHBondContact O-N 2.94Å; D12-T16 VanDerWaalsContact O-CB 3.26Å; D12-T16 WeakPolarHBondContact O-CB 3.46Å; D12-T16 PolarHBondContact O-N 3.05Å; D12-T16 PolarHBondContact O-OG1 3.03Å
13Q97Very high95.7Very high106 Ų10679.9 Ų79.950%0.49541%0.409SS..Hα-helixtrans-61-45.1173.8-72.5179.18.400111.9D9 F11 E17 L42D9-Q13 WeakPolarHBondContact O-CB 3.5Å; D9-Q13 VanDerWaalsContact O-CG 3.28Å; D9-Q13 WeakPolarHBondContact O-CG 3.26Å; D9-Q13 PolarHBondContact O-N 2.92Å; D9-Q13 VanDerWaalsContact O-N 3.09Å; F11-Q13 PolarHBondContact O-N 3.29Å; Q13-E17 WeakPolarHBondContact O-CB 3.47Å; Q13-E17 PolarHBondContact O-N 3.21Å; Q13-L42 HydrophobicContact CB-CD1 3.92Å; Q13-L42 HydrophobicContact CB-CD2 4.16Å
14T96.6Very high95.8Very high21 Ų2182 Ų8213%0.12941%0.411CS..Hα-helixtrans-65.5-43.1-180-56.70000111.5V10 F11 D12 A18 I35 A38 V39 L42V10-T14 WeakPolarHBondContact O-CB 3.44Å; V10-T14 PolarHBondContact O-N 2.83Å; V10-T14 PolarHBondContact O-OG1 3.2Å; F11-T14 PolarHBondContact O-N 3.37Å; D12-T14 PolarHBondContact O-N 2.8Å; T14-A18 VanDerWaalsContact O-CB 3.25Å; T14-A18 WeakPolarHBondContact O-CB 3.36Å; T14-A18 PolarHBondContact O-N 3.43Å; T14-I35 HydrophobicContact CG2-CG2 4.34Å; T14-A38 HydrophobicContact CG2-CB 4.14Å; T14-V39 HydrophobicContact CG2-CG2 4.06Å; T14-L42 WeakPolarHBondContact OG1-CD1 3.27Å
15A96.7Very high95.9Very high40 Ų4081 Ų8133%0.33141%0.406SS..Hα-helixtrans-66-44178.900000111.6F11 D12 A18 S19F11-A15 WeakPolarHBondContact O-CB 3.48Å; F11-A15 PolarHBondContact O-N 3.09Å; D12-A15 PolarHBondContact O-N 2.94Å; A15-A18 PolarHBondContact O-N 3.45Å; A15-S19 WeakPolarHBondContact O-CB 3.31Å; A15-S19 PolarHBondContact O-N 2.92Å
16T97.1Very high95.8Very high54 Ų5486.4 Ų86.433%0.33143%0.433SS..Hα-helixtrans-60-47.8176.5-66.10000111D12 S19 R20D12-T16 VanDerWaalsContact O-CB 3.26Å; D12-T16 WeakPolarHBondContact O-CB 3.46Å; D12-T16 PolarHBondContact O-N 3.05Å; D12-T16 PolarHBondContact O-OG1 3.03Å; T16-S19 PolarHBondContact O-N 3.48Å; T16-R20 WeakPolarHBondContact O-CG 3.42Å; T16-R20 PolarHBondContact O-N 2.99Å
17E97Very high95.8Very high42 Ų4285 Ų8520%0.19642%0.424CS..Hα-helixtrans-69.3-39.5-178.8-169.259.8-161.300112.1Q13 S19 R20 L21 A38 L41Q13-E17 WeakPolarHBondContact O-CB 3.47Å; Q13-E17 PolarHBondContact O-N 3.21Å; E17-S19 VanDerWaalsContact C-N 3.31Å; E17-S19 PolarHBondContact O-N 3.48Å; E17-R20 PolarHBondContact O-N 2.9Å; E17-R20 IonicContact OE2-NH1 3.58Å; E17-L21 HydrophobicContact CG-CD1 4.37Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.45Å; E17-L21 PolarHBondContact O-N 2.89Å; E17-A38 HydrophobicContact CB-CB 3.86Å; E17-A38 HydrophobicContact CG-CB 3.97Å; E17-L41 HydrophobicContact CG-CD1 3.95Å; E17-L41 VanDerWaalsContact OE1-CD1 3.31Å; E17-L41 WeakPolarHBondContact OE1-CD1 3.42Å
18A97.3Very high95.6Very high0 Ų088.6 Ų88.60%044%0.442CS..Hα-helixtrans-64-36.6174.800000112.6T14 A15 L21 A22 E34 I35 A38T14-A18 VanDerWaalsContact O-CB 3.25Å; T14-A18 WeakPolarHBondContact O-CB 3.36Å; T14-A18 PolarHBondContact O-N 3.43Å; A15-A18 PolarHBondContact O-N 3.45Å; A18-L21 PolarHBondContact O-N 2.85Å; A18-A22 WeakPolarHBondContact O-CB 3.5Å; A18-A22 PolarHBondContact O-N 2.74Å; A18-E34 HydrophobicContact CB-CB 4.21Å; A18-I35 HydrophobicContact CB-CD1 3.48Å; A18-I35 VanDerWaalsContact CB-CD1 3.48Å; A18-I35 HydrophobicContact CB-CG1 4.24Å; A18-A38 HydrophobicContact CB-CB 4.16Å
19S96.8Very high95.3Very high75 Ų7591.4 Ų91.452%0.52445%0.454SS..Hα-helixtrans-64.8-45173.8-176.60000111.6A15 T16 E17 L21 A22 H23A15-S19 WeakPolarHBondContact O-CB 3.31Å; A15-S19 PolarHBondContact O-N 2.92Å; T16-S19 PolarHBondContact O-N 3.48Å; E17-S19 VanDerWaalsContact C-N 3.31Å; E17-S19 PolarHBondContact O-N 3.48Å; S19-L21 VanDerWaalsContact C-N 3.34Å; S19-L21 PolarHBondContact O-N 3.22Å; S19-A22 PolarHBondContact O-N 2.8Å; S19-H23 WeakPolarHBondContact O-CB 3.28Å; S19-H23 PolarHBondContact O-N 2.93Å
20R96.4Very high95Very high160 Ų16089.1 Ų89.160%0.60445%0.446SS*.Hα-helixtrans-59.3-44.1174.2-72.5174.2178.7171.2-0.7112.1T16 E17 H23 H24T16-R20 WeakPolarHBondContact O-CG 3.42Å; T16-R20 PolarHBondContact O-N 2.99Å; E17-R20 PolarHBondContact O-N 2.9Å; E17-R20 IonicContact OE2-NH1 3.58Å; R20-H23 PolarHBondContact O-N 2.79Å; R20-H24 WeakPolarHBondContact O-CB 3.48Å; R20-H24 PolarHBondContact O-N 3.21Å
21L97.2Very high95Very high29 Ų2988.7 Ų88.715%0.15245%0.445CS..Hα-helixtrans-64.5-39176.5-70.9167.6000112.3E17 A18 S19 N25 E34 T37 A38 L41E17-L21 HydrophobicContact CG-CD1 4.37Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 VanDerWaalsContact O-CG 3.27Å; E17-L21 WeakPolarHBondContact O-CG 3.45Å; E17-L21 PolarHBondContact O-N 2.89Å; A18-L21 PolarHBondContact O-N 2.85Å; S19-L21 VanDerWaalsContact C-N 3.34Å; S19-L21 PolarHBondContact O-N 3.22Å; L21-N25 WeakPolarHBondContact O-CB 3.25Å; L21-N25 PolarHBondContact O-N 3.15Å; L21-N25 VanDerWaalsContact O-N 3.12Å; L21-N25 PolarHBondContact O-ND2 3.01Å; L21-E34 HydrophobicContact CB-CB 4.09Å; L21-E34 HydrophobicContact CB-CG 3.86Å; L21-E34 WeakPolarHBondContact CD1-O 3.44Å; L21-T37 HydrophobicContact CD1-CG2 3.68Å; L21-T37 HydrophobicContact CD2-CG2 4.19Å; L21-A38 HydrophobicContact CD1-CB 4.25Å; L21-L41 HydrophobicContact CD1-CD1 4.31Å; L21-L41 HydrophobicContact CD2-CD1 4.49Å
22A96.9Very high94.8Very high4 Ų484.8 Ų84.83%0.03344%0.436CS..Hα-helixtrans-64.1-45.7175.100000110.7A18 S19 H24 N25 N26 R27 E34A18-A22 WeakPolarHBondContact O-CB 3.5Å; A18-A22 PolarHBondContact O-N 2.74Å; S19-A22 PolarHBondContact O-N 2.8Å; A22-H24 PolarHBondContact O-N 3.13Å; A22-N25 CarbonylContact O-C 3.47Å; A22-N25 PolarHBondContact O-N 3.24Å; A22-N25 VanDerWaalsContact O-N 3.14Å; A22-N26 PolarHBondContact O-N 3.28Å; A22-R27 CarbonylContact C-O 3.42Å; A22-R27 HydrophobicContact CB-CB 4.38Å; A22-R27 PolarHBondContact O-N 3.28Å; A22-E34 HydrophobicContact CB-CG 4.18Å
23H95.6Very high94.7Very high148 Ų14886.6 Ų86.669%0.68544%0.439SS*.Hα-helixtrans-61.8-44177.2-172.966.3000112.2S19 R20 N25 N26S19-H23 WeakPolarHBondContact O-CB 3.28Å; S19-H23 PolarHBondContact O-N 2.93Å; R20-H23 PolarHBondContact O-N 2.79Å; H23-N25 PolarHBondContact O-N 3.27Å; H23-N26 PolarHBondContact O-N 2.95Å
24H95Very high94.7Very high151 Ų15181.8 Ų81.870%0.69942%0.416SS*.Hα-helixtrans-59.2-35.3175.7-172.2-5.1000111.8R20 A22 N26R20-H24 WeakPolarHBondContact O-CB 3.48Å; R20-H24 PolarHBondContact O-N 3.21Å; A22-H24 PolarHBondContact O-N 3.13Å; H24-N26 VanDerWaalsContact C-N 3.25Å; H24-N26 PolarHBondContact O-N 2.89Å
25N94Very high94.7Very high91 Ų9184 Ų8449%0.48743%0.427SS..THydrogen-bonded Turntrans-84.912.1177-67.7-42.4000113.7L21 A22 H23 R27L21-N25 WeakPolarHBondContact O-CB 3.25Å; L21-N25 PolarHBondContact O-N 3.15Å; L21-N25 VanDerWaalsContact O-N 3.12Å; L21-N25 PolarHBondContact O-ND2 3.01Å; A22-N25 CarbonylContact O-C 3.47Å; A22-N25 PolarHBondContact O-N 3.24Å; A22-N25 VanDerWaalsContact O-N 3.14Å; H23-N25 PolarHBondContact O-N 3.27Å; N25-R27 HydrophobicContact CB-CG 4.19Å; N25-R27 PolarHBondContact O-N 2.98Å
26N93.1Very high94.7Very high149 Ų14984.5 Ų84.580%0.79742%0.422SS*.THydrogen-bonded Turntrans53.934.5-174.9-60.9-60.2000113.4A22 H23 H24A22-N26 PolarHBondContact O-N 3.28Å; H23-N26 PolarHBondContact O-N 2.95Å; H24-N26 VanDerWaalsContact C-N 3.25Å; H24-N26 PolarHBondContact O-N 2.89Å
27R92.8Very high94.6Very high97 Ų9784.4 Ų84.437%0.36642%0.422SS..  trans-105.7135.5176.8-61.6-174.165.2-139.2-11.4109.8A22 N25 M29 S31 E34A22-R27 CarbonylContact C-O 3.42Å; A22-R27 HydrophobicContact CB-CB 4.38Å; A22-R27 PolarHBondContact O-N 3.28Å; N25-R27 HydrophobicContact CB-CG 4.19Å; N25-R27 PolarHBondContact O-N 2.98Å; R27-M29 VanDerWaalsContact C-N 3.28Å; R27-M29 VanDerWaalsContact CZ-O 3.32Å; R27-M29 PolarHBondContact NH2-O 2.97Å; R27-S31 PolarHBondContact NH1-OG 3.38Å; R27-S31 VanDerWaalsContact NH1-OG 3.13Å; R27-E34 IonicContact CZ-OE1 4Å; R27-E34 IonicContact NH1-OE1 2.72Å; R27-E34 PolarHBondContact NH1-OE1 3.5Å; R27-E34 IonicContact NH1-OE2 3.8Å; R27-E34 PolarHBondContact NH1-OE2 2.76Å
28H90.3Very high94.6Very high205 Ų20582.4 Ų82.495%0.94941%0.413SS*.SBendtrans-77.4-14.4174.4-65.1-73.5000113.5
29M89.8Confident94.6Very high147 Ų14783.6 Ų83.672%0.72442%0.42SS*.SBendtrans-138.1132.6-175.2-175.8177.9173.300110.3R27R27-M29 VanDerWaalsContact C-N 3.28Å; R27-M29 VanDerWaalsContact CZ-O 3.32Å; R27-M29 PolarHBondContact NH2-O 2.97Å
30S88.2Confident94.6Very high49 Ų4987 Ų8734%0.34342%0.421SS..  trans-69.9132.1169.853.70000110.5
31S93.1Very high94.6Very high42 Ų4284.4 Ų84.429%0.29442%0.419SS..  trans-97.7179.9165.175.80000110.5R27 K33 E34 I35R27-S31 PolarHBondContact NH1-OG 3.38Å; R27-S31 VanDerWaalsContact NH1-OG 3.13Å; S31-K33 PolarHBondContact O-N 3.13Å; S31-K33 WeakPolarHBondContact OG-CB 3.33Å; S31-K33 PolarHBondContact OG-N 3.46Å; S31-E34 WeakPolarHBondContact CA-OE2 3.39Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 PolarHBondContact O-N 3.49Å; S31-E34 PolarHBondContact OG-OE2 3.32Å; S31-I35 PolarHBondContact O-N 3.34Å
32S93.7Very high94.5Very high66 Ų6686.2 Ų86.246%0.46243%0.428SS..Hα-helixtrans-56.6-19.8172.863.50000113Q36S32-Q36 VanDerWaalsContact O-CB 3.31Å; S32-Q36 WeakPolarHBondContact O-CB 3.36Å; S32-Q36 WeakPolarHBondContact O-CG 3.43Å; S32-Q36 PolarHBondContact O-N 3.25Å; S32-Q36 PolarHBondContact O-NE2 2.93Å
33K94.7Very high94.4Very high142 Ų14289 Ų8962%0.61744%0.442SS*.Hα-helixtrans-71-47.9177.8-173.7179.9177.9-176.10111.9S31 I35 Q36 T37S31-K33 PolarHBondContact O-N 3.13Å; S31-K33 WeakPolarHBondContact OG-CB 3.33Å; S31-K33 PolarHBondContact OG-N 3.46Å; K33-I35 VanDerWaalsContact C-N 3.33Å; K33-Q36 PolarHBondContact O-N 3.33Å; K33-T37 WeakPolarHBondContact O-CB 3.38Å; K33-T37 PolarHBondContact O-N 3.1Å; K33-T37 PolarHBondContact O-OG1 3.4Å
34E96.3Very high94.4Very high5 Ų588 Ų882%0.02344%0.442CS..Hα-helixtrans-64.5-40.4177.3-70.576.7-16300110.7A18 L21 A22 R27 S31 T37 A38A18-E34 HydrophobicContact CB-CB 4.21Å; L21-E34 HydrophobicContact CB-CB 4.09Å; L21-E34 HydrophobicContact CB-CG 3.86Å; L21-E34 WeakPolarHBondContact CD1-O 3.44Å; A22-E34 HydrophobicContact CB-CG 4.18Å; R27-E34 IonicContact CZ-OE1 4Å; R27-E34 IonicContact NH1-OE1 2.72Å; R27-E34 PolarHBondContact NH1-OE1 3.5Å; R27-E34 IonicContact NH1-OE2 3.8Å; R27-E34 PolarHBondContact NH1-OE2 2.76Å; S31-E34 WeakPolarHBondContact CA-OE2 3.39Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 PolarHBondContact O-N 3.49Å; S31-E34 PolarHBondContact OG-OE2 3.32Å; E34-T37 PolarHBondContact O-N 3.42Å; E34-A38 WeakPolarHBondContact O-CB 3.32Å; E34-A38 PolarHBondContact O-N 3.28Å
35I96.5Very high94.2Very high67 Ų6783.1 Ų83.134%0.34443%0.432SS..Hα-helixtrans-61.7-47.8175.1-58.5-71.9000111.3T14 A18 S31 K33 T37 A38 V39T14-I35 HydrophobicContact CG2-CG2 4.34Å; A18-I35 HydrophobicContact CB-CD1 3.48Å; A18-I35 VanDerWaalsContact CB-CD1 3.48Å; A18-I35 HydrophobicContact CB-CG1 4.24Å; S31-I35 PolarHBondContact O-N 3.34Å; K33-I35 VanDerWaalsContact C-N 3.33Å; I35-T37 PolarHBondContact O-N 3.03Å; I35-A38 PolarHBondContact O-N 3Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.42Å; I35-V39 PolarHBondContact O-N 3.27Å
36Q96.3Very high94.2Very high51 Ų5187.8 Ų87.824%0.23845%0.448CS..Hα-helixtrans-60.7-33.8176.6-79.1170.975.700112.7S32 K33 R40 V52S32-Q36 VanDerWaalsContact O-CB 3.31Å; S32-Q36 WeakPolarHBondContact O-CB 3.36Å; S32-Q36 WeakPolarHBondContact O-CG 3.43Å; S32-Q36 PolarHBondContact O-N 3.25Å; S32-Q36 PolarHBondContact O-NE2 2.93Å; K33-Q36 PolarHBondContact O-N 3.33Å; Q36-R40 WeakPolarHBondContact O-CG 3.31Å; Q36-R40 PolarHBondContact O-N 3.43Å; Q36-V52 HydrophobicContact CB-CG2 4.49Å; Q36-V52 HydrophobicContact CG-CG1 4.21Å
37T96.6Very high94.3Very high53 Ų5385.7 Ų85.733%0.32544%0.436SS..Hα-helixtrans-74-45178.4-55.10000110.4L21 K33 E34 I35 V39 R40 L41L21-T37 HydrophobicContact CD1-CG2 3.68Å; L21-T37 HydrophobicContact CD2-CG2 4.19Å; K33-T37 WeakPolarHBondContact O-CB 3.38Å; K33-T37 PolarHBondContact O-N 3.1Å; K33-T37 PolarHBondContact O-OG1 3.4Å; E34-T37 PolarHBondContact O-N 3.42Å; I35-T37 PolarHBondContact O-N 3.03Å; T37-V39 VanDerWaalsContact C-N 3.32Å; T37-V39 PolarHBondContact O-N 3.48Å; T37-R40 WeakPolarHBondContact O-CA 3.49Å; T37-R40 WeakPolarHBondContact O-CB 3.3Å; T37-R40 PolarHBondContact O-N 3.09Å; T37-L41 HydrophobicContact CG2-CD1 4.42Å; T37-L41 WeakPolarHBondContact O-CG 3.49Å; T37-L41 PolarHBondContact O-N 3.04Å
38A97.1Very high94.5Very high0 Ų081.6 Ų81.60%042%0.423CS..Hα-helixtrans-55.2-46173.400000111.7T14 E17 A18 L21 E34 I35 R40 L41 L42T14-A38 HydrophobicContact CG2-CB 4.14Å; E17-A38 HydrophobicContact CB-CB 3.86Å; E17-A38 HydrophobicContact CG-CB 3.97Å; A18-A38 HydrophobicContact CB-CB 4.16Å; L21-A38 HydrophobicContact CD1-CB 4.25Å; E34-A38 WeakPolarHBondContact O-CB 3.32Å; E34-A38 PolarHBondContact O-N 3.28Å; I35-A38 PolarHBondContact O-N 3Å; A38-R40 VanDerWaalsContact C-N 3.26Å; A38-R40 PolarHBondContact O-N 3.5Å; A38-L41 PolarHBondContact O-N 3.33Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.1Å
39V97.1Very high94.7Very high24 Ų2479.7 Ų79.715%0.14541%0.411CS..Hα-helixtrans-59.5-35.3175.8171.10000112.3T14 I35 T37 L43 A51 V52T14-V39 HydrophobicContact CG2-CG2 4.06Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.42Å; I35-V39 PolarHBondContact O-N 3.27Å; T37-V39 VanDerWaalsContact C-N 3.32Å; T37-V39 PolarHBondContact O-N 3.48Å; V39-L43 HydrophobicContact CG1-CD1 3.82Å; V39-L43 HydrophobicContact CG1-CG 4.46Å; V39-L43 WeakPolarHBondContact O-CB 3.41Å; V39-L43 PolarHBondContact O-N 2.98Å; V39-L43 VanDerWaalsContact O-N 3.15Å; V39-A51 HydrophobicContact CG1-CB 3.75Å; V39-V52 HydrophobicContact CG1-CG2 4.12Å
40R96.2Very high95.1Very high147 Ų14778.4 Ų78.456%0.55540%0.403SS*.Hα-helixtrans-73.5-28.1176-71.4170.5-177-126.81.2113.3Q36 T37 A38 V52Q36-R40 WeakPolarHBondContact O-CG 3.31Å; Q36-R40 PolarHBondContact O-N 3.43Å; T37-R40 WeakPolarHBondContact O-CA 3.49Å; T37-R40 WeakPolarHBondContact O-CB 3.3Å; T37-R40 PolarHBondContact O-N 3.09Å; A38-R40 VanDerWaalsContact C-N 3.26Å; A38-R40 PolarHBondContact O-N 3.5Å; R40-V52 HydrophobicContact CG-CG2 4.19Å
41L96.2Very high95.5Very high106 Ų10677.9 Ų77.956%0.55540%0.402SS*.Hα-helixtrans-78.2-35.2176.5-67172.9000111.6E17 L21 T37 A38E17-L41 HydrophobicContact CG-CD1 3.95Å; E17-L41 VanDerWaalsContact OE1-CD1 3.31Å; E17-L41 WeakPolarHBondContact OE1-CD1 3.42Å; L21-L41 HydrophobicContact CD1-CD1 4.31Å; L21-L41 HydrophobicContact CD2-CD1 4.49Å; T37-L41 HydrophobicContact CG2-CD1 4.42Å; T37-L41 WeakPolarHBondContact O-CG 3.49Å; T37-L41 PolarHBondContact O-N 3.04Å; A38-L41 PolarHBondContact O-N 3.33Å
42L95.8Very high95.7Very high66 Ų6676.3 Ų76.335%0.34639%0.391SS..Hα-helixtrans-86.8-25.2-175.5-65.8171.5000114.3Q13 T14 A38Q13-L42 HydrophobicContact CB-CD1 3.92Å; Q13-L42 HydrophobicContact CB-CD2 4.16Å; T14-L42 WeakPolarHBondContact OG1-CD1 3.27Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 3.1Å
43L94.7Very high95.8Very high62 Ų6275.7 Ų75.733%0.32539%0.387SS..SBendtrans-116143.7-174.5-56.3-178.2000112.8V39 L47 A51V39-L43 HydrophobicContact CG1-CD1 3.82Å; V39-L43 HydrophobicContact CG1-CG 4.46Å; V39-L43 WeakPolarHBondContact O-CB 3.41Å; V39-L43 PolarHBondContact O-N 2.98Å; V39-L43 VanDerWaalsContact O-N 3.15Å; L43-L47 HydrophobicContact CB-CB 4.16Å; L43-L47 HydrophobicContact CD1-CB 4.5Å; L43-A51 HydrophobicContact CD1-CB 3.9Å
44D93.9Very high96Very high129 Ų12972.8 Ų72.869%0.6938%0.375SS*.  trans-55.6151173.6-70.6-32.2000113K46 L47 S48D44-K46 VanDerWaalsContact C-N 3.26Å; D44-K46 PolarHBondContact O-N 2.86Å; D44-L47 PolarHBondContact O-N 2.86Å; D44-S48 PolarHBondContact O-N 3.48Å; D44-S48 PolarHBondContact O-OG 2.9Å
45G92.3Very high96Very high48 Ų4874.2 Ų74.250%0.49539%0.392SS..Hα-helixtrans-51.8-32-169.200000116.6S48 K49G45-S48 WeakPolarHBondContact CA-OG 3.22Å; G45-S48 PolarHBondContact O-OG 3.28Å; G45-K49 WeakPolarHBondContact O-CD 3.48Å; G45-K49 VanDerWaalsContact O-CG 3.22Å; G45-K49 WeakPolarHBondContact O-CG 3.28Å
46K94.3Very high95.9Very high188 Ų18876.3 Ų76.382%0.81740%0.398SS*.Hα-helixtrans-77.1-42.1175.3-175.3177.2176.1-177.70111.9D44 H50D44-K46 VanDerWaalsContact C-N 3.26Å; D44-K46 PolarHBondContact O-N 2.86Å; K46-H50 PolarHBondContact O-N 3.2Å
47L95Very high95.9Very high105 Ų10578.7 Ų78.755%0.5541%0.408SS..Hα-helixtrans-69.5-44179.8-69.1173.7000111.2L43 D44 K49 H50 A51L43-L47 HydrophobicContact CB-CB 4.16Å; L43-L47 HydrophobicContact CD1-CB 4.5Å; D44-L47 PolarHBondContact O-N 2.86Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.39Å; L47-H50 PolarHBondContact O-N 2.9Å; L47-A51 WeakPolarHBondContact O-CB 3.37Å; L47-A51 PolarHBondContact O-N 3.37Å
48S95.5Very high95.9Very high11 Ų1179 Ų798%0.07742%0.416CS..Hα-helixtrans-61.2-39.9178.358.50000112.5D44 G45 H50 V52D44-S48 PolarHBondContact O-N 3.48Å; D44-S48 PolarHBondContact O-OG 2.9Å; G45-S48 WeakPolarHBondContact CA-OG 3.22Å; G45-S48 PolarHBondContact O-OG 3.28Å; S48-H50 PolarHBondContact O-N 2.92Å; S48-V52 VanDerWaalsContact O-CB 3.29Å; S48-V52 WeakPolarHBondContact O-CB 3.2Å; S48-V52 WeakPolarHBondContact O-CG2 3.29Å; S48-V52 PolarHBondContact O-N 3.35Å
49K96.5Very high95.8Very high165 Ų16582.5 Ų82.572%0.71744%0.437SS*.Hα-helixtrans-59.8-45.6174.9-76.8174.9-175-178.20112.1G45 L47 S53G45-K49 WeakPolarHBondContact O-CD 3.48Å; G45-K49 VanDerWaalsContact O-CG 3.22Å; G45-K49 WeakPolarHBondContact O-CG 3.28Å; L47-K49 VanDerWaalsContact C-N 3.33Å; L47-K49 PolarHBondContact O-N 3.39Å; K49-S53 WeakPolarHBondContact O-CB 3.42Å; K49-S53 PolarHBondContact O-N 3.49Å; K49-S53 VanDerWaalsContact O-N 3.08Å
50H97.2Very high95.7Very high120 Ų12087.8 Ų87.856%0.55646%0.458SS*.Hα-helixtrans-68.1-49.2179.2-172.2-124.9000111.4K46 L47 S48 V52 S53 E54K46-H50 PolarHBondContact O-N 3.2Å; L47-H50 PolarHBondContact O-N 2.9Å; S48-H50 PolarHBondContact O-N 2.92Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 3.19Å; H50-S53 WeakPolarHBondContact O-CA 3.15Å; H50-S53 WeakPolarHBondContact O-CB 3.38Å; H50-S53 PolarHBondContact O-N 2.92Å; H50-E54 IonicContact NE2-OE1 2.8Å; H50-E54 PolarHBondContact O-N 3.03Å
51A96.4Very high95.6Very high39 Ų3986.3 Ų86.332%0.32246%0.461SS..Hα-helixtrans-58.5-4317900000112.5V39 L43 L47 S53 E54 G55V39-A51 HydrophobicContact CG1-CB 3.75Å; L43-A51 HydrophobicContact CD1-CB 3.9Å; L47-A51 WeakPolarHBondContact O-CB 3.37Å; L47-A51 PolarHBondContact O-N 3.37Å; A51-S53 VanDerWaalsContact C-N 3.34Å; A51-E54 PolarHBondContact O-N 3.03Å; A51-G55 PolarHBondContact O-N 2.93Å
52V96.9Very high95.6Very high9 Ų991 Ų916%0.05547%0.473CS..Hα-helixtrans-66.2-36.6175.3170.20000111.5Q36 V39 R40 S48 H50 K56Q36-V52 HydrophobicContact CB-CG2 4.49Å; Q36-V52 HydrophobicContact CG-CG1 4.21Å; V39-V52 HydrophobicContact CG1-CG2 4.12Å; R40-V52 HydrophobicContact CG-CG2 4.19Å; S48-V52 VanDerWaalsContact O-CB 3.29Å; S48-V52 WeakPolarHBondContact O-CB 3.2Å; S48-V52 WeakPolarHBondContact O-CG2 3.29Å; S48-V52 PolarHBondContact O-N 3.35Å; H50-V52 VanDerWaalsContact C-N 3.34Å; H50-V52 PolarHBondContact O-N 3.19Å; V52-K56 HydrophobicContact CG1-CD 4.28Å; V52-K56 WeakPolarHBondContact O-CB 3.34Å; V52-K56 VanDerWaalsContact O-CG 3.28Å; V52-K56 WeakPolarHBondContact O-CG 3.13Å; V52-K56 PolarHBondContact O-N 3.08Å
53S96.8Very high95.5Very high53 Ų5392.2 Ų92.237%0.37148%0.483SS..Hα-helixtrans-64.7-48.8176.3-173.20000111.6K49 H50 A51 K56 K57K49-S53 WeakPolarHBondContact O-CB 3.42Å; K49-S53 PolarHBondContact O-N 3.49Å; K49-S53 VanDerWaalsContact O-N 3.08Å; H50-S53 WeakPolarHBondContact O-CA 3.15Å; H50-S53 WeakPolarHBondContact O-CB 3.38Å; H50-S53 PolarHBondContact O-N 2.92Å; A51-S53 VanDerWaalsContact C-N 3.34Å; S53-K56 PolarHBondContact O-N 3.23Å; S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 2.92Å
54E97.4Very high95.3Very high80 Ų8091.6 Ų91.637%0.37448%0.484SS..Hα-helixtrans-63.3-42.3177.4-67.5-52.7128.700111.8H50 A51 K56 K57 A58H50-E54 IonicContact NE2-OE1 2.8Å; H50-E54 PolarHBondContact O-N 3.03Å; A51-E54 PolarHBondContact O-N 3.03Å; E54-K56 VanDerWaalsContact C-N 3.33Å; E54-K56 PolarHBondContact O-N 3.27Å; E54-K57 PolarHBondContact O-N 3.38Å; E54-K57 IonicContact OE1-NZ 2.79Å; E54-K57 PolarHBondContact OE1-NZ 3.41Å; E54-K57 IonicContact OE2-NZ 3.87Å; E54-A58 WeakPolarHBondContact O-CB 3.44Å; E54-A58 PolarHBondContact O-N 3.04Å
55G96.2Very high94.7Very high36 Ų3691.2 Ų91.237%0.37149%0.489SS..Hα-helixtrans-60.1-40.3174.900000112.9A51 A58 V59A51-G55 PolarHBondContact O-N 2.93Å; G55-A58 PolarHBondContact O-N 2.87Å; G55-V59 WeakPolarHBondContact O-CG2 3.3Å; G55-V59 PolarHBondContact O-N 2.96Å
56K96.4Very high93.8Very high111 Ų111100.8 Ų100.848%0.48353%0.527SS..Hα-helixtrans-66-42.2175.3-75.7176.9-179.3-170.70112.6V52 S53 E54 A58 V59 F60V52-K56 HydrophobicContact CG1-CD 4.28Å; V52-K56 WeakPolarHBondContact O-CB 3.34Å; V52-K56 VanDerWaalsContact O-CG 3.28Å; V52-K56 WeakPolarHBondContact O-CG 3.13Å; V52-K56 PolarHBondContact O-N 3.08Å; S53-K56 PolarHBondContact O-N 3.23Å; E54-K56 VanDerWaalsContact C-N 3.33Å; E54-K56 PolarHBondContact O-N 3.27Å; K56-A58 VanDerWaalsContact C-N 3.32Å; K56-V59 PolarHBondContact O-N 2.96Å; K56-F60 WeakPolarHBondContact O-CB 3.49Å; K56-F60 PolarHBondContact O-N 3.38Å
57K96.3Very high93.7Very high101 Ų10196.4 Ų96.444%0.43951%0.513SS..Hα-helixtrans-60.5-44174.9-69174-171.5169.40110.9S53 E54 F60 N61S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 2.92Å; E54-K57 PolarHBondContact O-N 3.38Å; E54-K57 IonicContact OE1-NZ 2.79Å; E54-K57 PolarHBondContact OE1-NZ 3.41Å; E54-K57 IonicContact OE2-NZ 3.87Å; K57-F60 PolarHBondContact O-N 2.92Å; K57-N61 WeakPolarHBondContact O-CB 3.39Å; K57-N61 VanDerWaalsContact O-CG 3.26Å; K57-N61 PolarHBondContact O-N 2.98Å
58A96Very high93.7Very high59 Ų5995.9 Ų95.949%0.48851%0.511SS..Hα-helixtrans-61.5-45.7177.500000111.9E54 G55 K56 N61 Y62E54-A58 WeakPolarHBondContact O-CB 3.44Å; E54-A58 PolarHBondContact O-N 3.04Å; G55-A58 PolarHBondContact O-N 2.87Å; K56-A58 VanDerWaalsContact C-N 3.32Å; A58-N61 PolarHBondContact O-N 3.04Å; A58-Y62 VanDerWaalsContact O-CB 3.3Å; A58-Y62 WeakPolarHBondContact O-CB 3.35Å; A58-Y62 PolarHBondContact O-N 3.29Å
59V95Very high93.6Very high74 Ų74100.7 Ų100.745%0.44854%0.535SS..Hα-helixtrans-61.5-46174.9171.70000110.9G55 K56 Y62 T63G55-V59 WeakPolarHBondContact O-CG2 3.3Å; G55-V59 PolarHBondContact O-N 2.96Å; K56-V59 PolarHBondContact O-N 2.96Å; V59-Y62 PolarHBondContact O-N 3.02Å; V59-T63 HydrophobicContact CG1-CG2 4.24Å; V59-T63 WeakPolarHBondContact O-CB 3.5Å; V59-T63 WeakPolarHBondContact O-CG2 3.47Å; V59-T63 PolarHBondContact O-N 2.72Å; V59-T63 PolarHBondContact O-OG1 3.49Å
60F94.5Very high93.4Very high135 Ų13596.9 Ų96.959%0.59252%0.524SS*.Hα-helixtrans-55.7-55.6177.8178.3-98.7000110.8K56 K57 Y62 T63 S64K56-F60 WeakPolarHBondContact O-CB 3.49Å; K56-F60 PolarHBondContact O-N 3.38Å; K57-F60 PolarHBondContact O-N 2.92Å; F60-Y62 VanDerWaalsContact C-N 3.25Å; F60-Y62 PolarHBondContact O-N 3.23Å; F60-T63 CarbonylContact O-C 3.59Å; F60-T63 PolarHBondContact O-N 2.91Å; F60-T63 PolarHBondContact O-OG1 3Å; F60-S64 PolarHBondContact O-N 3.45Å; F60-S64 PolarHBondContact O-OG 3.25Å
61N94.9Very high93.1Very high115 Ų11595.4 Ų95.462%0.61552%0.522SS*.Hα-helixtrans-59.2-34.8179.3-67.8-9.8000112.9K57 A58K57-N61 WeakPolarHBondContact O-CB 3.39Å; K57-N61 VanDerWaalsContact O-CG 3.26Å; K57-N61 PolarHBondContact O-N 2.98Å; A58-N61 PolarHBondContact O-N 3.04Å
62Y94.7Very high92.9Very high204 Ų20499.2 Ų99.280%0.854%0.536SS*.Hα-helixtrans-71.5-34.8176.8-178.2-98.6000112.6A58 V59 F60A58-Y62 VanDerWaalsContact O-CB 3.3Å; A58-Y62 WeakPolarHBondContact O-CB 3.35Å; A58-Y62 PolarHBondContact O-N 3.29Å; V59-Y62 PolarHBondContact O-N 3.02Å; F60-Y62 VanDerWaalsContact C-N 3.25Å; F60-Y62 PolarHBondContact O-N 3.23Å
63T94.8Very high92.6Very high92 Ų92105.6 Ų105.656%0.56457%0.57SS**Hα-helixtrans-90.4-14.4-178.2580000114.3V59 F60V59-T63 HydrophobicContact CG1-CG2 4.24Å; V59-T63 WeakPolarHBondContact O-CB 3.5Å; V59-T63 WeakPolarHBondContact O-CG2 3.47Å; V59-T63 PolarHBondContact O-N 2.72Å; V59-T63 PolarHBondContact O-OG1 3.49Å; F60-T63 CarbonylContact O-C 3.59Å; F60-T63 PolarHBondContact O-N 2.91Å; F60-T63 PolarHBondContact O-OG1 3Å
64S90.6Very high92.3Very high49 Ų49109.7 Ų109.734%0.34359%0.585SS.*SBendtrans-61.2124.5176.6-69.10000109.7F60 L66F60-S64 PolarHBondContact O-N 3.45Å; F60-S64 PolarHBondContact O-OG 3.25Å; S64-L66 PolarHBondContact O-N 2.87Å
65P80.5Confident91.9Very high122 Ų122112.2 Ų112.279%0.79260%0.603SS**  trans-60.9136.4163.727.7-31000107.3
66L72.8Confident91.5Very high248 Ų248119.1 Ų119.1100%1.29862%0.624SS**  trans-44.40178-70.2168.4000112.5S64S64-L66 PolarHBondContact O-N 2.87Å

Retrieved 66 of 66 residues in 86.3 ms (Link to these results)