G4VQH5_SCHMA Loading...

Huntingtin interacting protein-related

AlphaFold DB , UniProt , Accession G4VQH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 107 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
1M40.8Very low51.2Low238 Ų238157.3 Ų157.3100%1.17282%0.816SS**  0101.50-80.6165.3138.900104.8E3M1-E3 PolarHBondContact O-N 2.89Å
2T48.7Very low52.4Low148 Ų148160.8 Ų160.891%0.90882%0.82SS**  trans-86.6107.8-174.3-44.90000106.6
3E44Very low53.8Low185 Ų185163.2 Ų163.286%0.86482%0.821SS**  trans-76.8117175.1-62.8177.5153.900107.8M1M1-E3 PolarHBondContact O-N 2.89Å
4D52.9Low54.9Low148 Ų148154.6 Ų154.679%0.79178%0.783SS**  trans-79.9123.4173.4-160.1-18.8000108E6D4-E6 PolarHBondContact O-N 3.4Å
5P52.9Low56.1Low110 Ų110152.3 Ų152.371%0.71478%0.78SS**  trans-72.9114.3179.828.4-31.9000110.4D7P5-D7 PolarHBondContact O-N 3.21Å
6E46.3Very low57.4Low187 Ų187146.8 Ų146.887%0.87476%0.755SS**  trans-6096.8164.2-67-170.1148.600109.9D4 N8D4-E6 PolarHBondContact O-N 3.4Å; E6-N8 VanDerWaalsContact C-N 3.3Å; E6-N8 PolarHBondContact O-N 3.34Å
7D48.2Very low58.5Low138 Ų138148.1 Ų148.174%0.73876%0.757SS**  trans-73.984.1168.6-168.127.2000109.4P5 E9P5-D7 PolarHBondContact O-N 3.21Å; D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 2.98Å
8N48.9Very low59.5Low129 Ų129147.1 Ų147.169%0.6975%0.753SS**  trans-94.759.9173.8-165.9-3000110E6 K10E6-N8 VanDerWaalsContact C-N 3.3Å; E6-N8 PolarHBondContact O-N 3.34Å; N8-K10 PolarHBondContact O-N 3.26Å
9E56.8Low60.3Low167 Ų167143.8 Ų143.878%0.7874%0.735SS**  trans-75.4101.4168.7-81.8-157.8149.900110.1D7D7-E9 VanDerWaalsContact C-N 3.34Å; D7-E9 PolarHBondContact O-N 2.98Å
10K60.9Low61Low176 Ų176146.1 Ų146.177%0.76573%0.734SS**PPolyproline II helixtrans-58.3128172-69.1175.6-179.3173.30110.3N8 K12N8-K10 PolarHBondContact O-N 3.26Å; K10-K12 PolarHBondContact O-N 2.89Å
11P62.9Low61.9Low104 Ų104141 Ų14168%0.67572%0.718SS**PPolyproline II helixtrans-63.8129.9-178.121.1-30.2000111.7
12K65.7Low63.8Low199 Ų199132.5 Ų132.587%0.86569%0.686SS**PPolyproline II helixtrans-64.4138.7176-68.7175.3-175.9164.70109.7K10K10-K12 PolarHBondContact O-N 2.89Å
13K70.9Confident65.2Low192 Ų192126.2 Ų126.284%0.83565%0.649SS**PPolyproline II helixtrans-64125.8-179.9-70179.3179.9178.60110.1
14P68.4Low67.1Low44 Ų44122.2 Ų122.229%0.28663%0.633SS.*PPolyproline II helixtrans-66.4134.9177.326.7-33.8000110.5E19 R20 A23P14-E19 HydrophobicContact CB-CB 3.57Å; P14-E19 WeakPolarHBondContact CB-O 3.44Å; P14-R20 HydrophobicContact CB-CB 4.29Å; P14-R20 HydrophobicContact CG-CB 4.27Å; P14-R20 HydrophobicContact CG-CG 4.23Å; P14-A23 HydrophobicContact CB-CB 4.22Å; P14-A23 HydrophobicContact CG-CB 3.98Å
15T73.1Confident68.7Low120 Ų120121.3 Ų121.374%0.73663%0.628SS**  trans-106.2-23.9-173.860.40000113.3E19T15-E19 PolarHBondContact N-OE2 2.91Å; T15-E19 PolarHBondContact OG1-OE2 3.26Å
16T76.7Confident70Confident64 Ų64122 Ų12239%0.39362%0.622SS.*SBendtrans-106.5160.9177.767.50000111.8D18 E19 R20T16-D18 PolarHBondContact O-N 3.28Å; T16-E19 PolarHBondContact N-OE2 3.45Å; T16-E19 PolarHBondContact O-N 3.38Å; T16-E19 VanDerWaalsContact OG1-CB 3.32Å; T16-E19 WeakPolarHBondContact OG1-CB 3.44Å; T16-E19 VanDerWaalsContact OG1-CD 3.22Å; T16-E19 WeakPolarHBondContact OG1-CG 3.3Å; T16-E19 PolarHBondContact OG1-N 3.44Å; T16-E19 VanDerWaalsContact OG1-N 3.15Å; T16-R20 WeakPolarHBondContact O-CB 3.31Å; T16-R20 PolarHBondContact O-N 3.46Å
17H76.8Confident71.8Confident169 Ų169119.1 Ų119.178%0.78260%0.603SS**Hα-helixtrans-56.8-41.5175.3176.2-87.3000111.3R20 G21H17-R20 PolarHBondContact O-N 3.24Å; H17-G21 PolarHBondContact O-N 3.06Å; H17-G21 VanDerWaalsContact O-N 3.16Å
18D77.1Confident73.7Confident129 Ų129118.1 Ų118.169%0.6960%0.601SS**Hα-helixtrans-71-40.8-178.7-58.6-23.8000111.8T16 R20 G21 A22T16-D18 PolarHBondContact O-N 3.28Å; D18-R20 VanDerWaalsContact C-N 3.26Å; D18-R20 PolarHBondContact O-N 3.08Å; D18-G21 PolarHBondContact O-N 3.44Å; D18-A22 WeakPolarHBondContact O-CB 3.42Å; D18-A22 PolarHBondContact O-N 2.99Å
19E74.5Confident75.5Confident85 Ų85117.8 Ų117.840%0.39760%0.604SS.*Hα-helixtrans-62.9-34172.8-74.8165.4-165.700111.9P14 T15 T16 A23P14-E19 HydrophobicContact CB-CB 3.57Å; P14-E19 WeakPolarHBondContact CB-O 3.44Å; T15-E19 PolarHBondContact N-OE2 2.91Å; T15-E19 PolarHBondContact OG1-OE2 3.26Å; T16-E19 PolarHBondContact N-OE2 3.45Å; T16-E19 PolarHBondContact O-N 3.38Å; T16-E19 VanDerWaalsContact OG1-CB 3.32Å; T16-E19 WeakPolarHBondContact OG1-CB 3.44Å; T16-E19 VanDerWaalsContact OG1-CD 3.22Å; T16-E19 WeakPolarHBondContact OG1-CG 3.3Å; T16-E19 PolarHBondContact OG1-N 3.44Å; T16-E19 VanDerWaalsContact OG1-N 3.15Å; E19-A23 WeakPolarHBondContact O-CB 3.49Å; E19-A23 PolarHBondContact O-N 3.12Å
20R73.8Confident77Confident189 Ų189114.7 Ų114.771%0.71359%0.593SS**Hα-helixtrans-69-40.2179-161.8179.1-152.2174.86.5111.6P14 T16 H17 D18 D24P14-R20 HydrophobicContact CB-CB 4.29Å; P14-R20 HydrophobicContact CG-CB 4.27Å; P14-R20 HydrophobicContact CG-CG 4.23Å; T16-R20 WeakPolarHBondContact O-CB 3.31Å; T16-R20 PolarHBondContact O-N 3.46Å; H17-R20 PolarHBondContact O-N 3.24Å; D18-R20 VanDerWaalsContact C-N 3.26Å; D18-R20 PolarHBondContact O-N 3.08Å; R20-D24 PolarHBondContact O-N 3.29Å
21G79.9Confident78.4Confident40 Ų40116.1 Ų116.141%0.41260%0.595SS.*Hα-helixtrans-65.8-46.2173.200000112H17 D18 A23 D24 L25H17-G21 PolarHBondContact O-N 3.06Å; H17-G21 VanDerWaalsContact O-N 3.16Å; D18-G21 PolarHBondContact O-N 3.44Å; G21-A23 PolarHBondContact O-N 3.36Å; G21-D24 PolarHBondContact O-N 3.02Å; G21-L25 WeakPolarHBondContact O-CG 3.46Å; G21-L25 PolarHBondContact O-N 3.32Å
22A81Confident79.6Confident59 Ų59118.4 Ų118.449%0.48860%0.595SS.*Hα-helixtrans-62.5-43.517800000112.6D18 D24 L25 E26D18-A22 WeakPolarHBondContact O-CB 3.42Å; D18-A22 PolarHBondContact O-N 2.99Å; A22-D24 PolarHBondContact O-N 3.29Å; A22-L25 PolarHBondContact O-N 3.29Å; A22-E26 PolarHBondContact O-N 2.88Å; A22-E26 VanDerWaalsContact O-N 3.11Å
23A78.1Confident80.8Confident16 Ų16115.9 Ų115.913%0.13259%0.586CS.*Hα-helixtrans-68.5-22.1178.500000113.4P14 E19 G21 R27P14-A23 HydrophobicContact CB-CB 4.22Å; P14-A23 HydrophobicContact CG-CB 3.98Å; E19-A23 WeakPolarHBondContact O-CB 3.49Å; E19-A23 PolarHBondContact O-N 3.12Å; G21-A23 PolarHBondContact O-N 3.36Å; A23-R27 PolarHBondContact O-NH1 3.02Å
24D82.6Confident81.6Confident102 Ų102114.9 Ų114.955%0.54558%0.584SS.*Hα-helixtrans-75.5-39.2172.3-157.954.4000111.3R20 G21 A22 E26 R27R20-D24 PolarHBondContact O-N 3.29Å; G21-D24 PolarHBondContact O-N 3.02Å; A22-D24 PolarHBondContact O-N 3.29Å; D24-E26 VanDerWaalsContact C-N 3.33Å; D24-E26 PolarHBondContact O-N 3.33Å; D24-R27 PolarHBondContact O-N 3.39Å; D24-R27 IonicContact OD1-NH1 3.5Å; D24-R27 PolarHBondContact OD1-NH1 3.08Å
25L87.7Confident82.6Confident128 Ų128121.1 Ų121.167%0.6761%0.607SS**Hα-helixtrans-65.4-34.5176.1-66.2175.4000112.8G21 A22 R27 V28G21-L25 WeakPolarHBondContact O-CG 3.46Å; G21-L25 PolarHBondContact O-N 3.32Å; A22-L25 PolarHBondContact O-N 3.29Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 2.97Å; L25-V28 WeakPolarHBondContact O-CB 3.32Å; L25-V28 PolarHBondContact O-N 3.41Å
26E80.3Confident83.3Confident125 Ų125124.7 Ų124.758%0.58462%0.615SS**Hα-helixtrans-62.6-38.6177.7-170172.6-155.900112.1A22 D24 V28 T29A22-E26 PolarHBondContact O-N 2.88Å; A22-E26 VanDerWaalsContact O-N 3.11Å; D24-E26 VanDerWaalsContact C-N 3.33Å; D24-E26 PolarHBondContact O-N 3.33Å; E26-V28 PolarHBondContact O-N 3.4Å; E26-T29 PolarHBondContact O-N 3.24Å; E26-T29 PolarHBondContact O-OG1 3.41Å
27R84Confident83.5Confident127 Ų127128.4 Ų128.448%0.47963%0.632SS.*G310 helixtrans-67.6-17.1178.9-64-174-162.994.416.6114.2A23 D24 L25 T29 D30A23-R27 PolarHBondContact O-NH1 3.02Å; D24-R27 PolarHBondContact O-N 3.39Å; D24-R27 IonicContact OD1-NH1 3.5Å; D24-R27 PolarHBondContact OD1-NH1 3.08Å; L25-R27 VanDerWaalsContact C-N 3.32Å; L25-R27 PolarHBondContact O-N 2.97Å; R27-T29 PolarHBondContact O-N 2.95Å; R27-D30 PolarHBondContact O-N 2.98Å
28V86.9Confident83.6Confident116 Ų116126.7 Ų126.770%0.70364%0.639SS**G310 helixtrans-69.1-23.9179.1177.50000111.4L25 E26L25-V28 WeakPolarHBondContact O-CB 3.32Å; L25-V28 PolarHBondContact O-N 3.41Å; E26-V28 PolarHBondContact O-N 3.4Å
29T88.4Confident83.6Confident123 Ų123124.9 Ų124.976%0.75563%0.632SS**G310 helixtrans-98.5-4178.455.10000114E26 R27E26-T29 PolarHBondContact O-N 3.24Å; E26-T29 PolarHBondContact O-OG1 3.41Å; R27-T29 PolarHBondContact O-N 2.95Å
30D87.9Confident83.8Confident102 Ų102123 Ų12355%0.54564%0.636SS.*SBendtrans-63.8152.9177.5-75.3-19.3000110.9R27 F32R27-D30 PolarHBondContact O-N 2.98Å; D30-F32 PolarHBondContact O-N 3.42Å
31Y89.9Confident83.9Confident206 Ų206120.8 Ų120.881%0.80864%0.637SS**  trans-62125.8174.5177.3-94.3000110.7E33Y31-E33 HydrophobicContact CE1-CB 4.38Å
32F88.8Confident83.8Confident152 Ų152125.2 Ų125.267%0.66765%0.652SS**  trans-131.7126.3171.9179.7-94.1000109.4D30 E34D30-F32 PolarHBondContact O-N 3.42Å; F32-E34 PolarHBondContact O-N 3.42Å
33E90.3Very high83.6Confident145 Ų145125 Ų12568%0.67865%0.65SS**PPolyproline II helixtrans-73.5120.2175.5-174.6174.3-164.500110.1Y31 K35Y31-E33 HydrophobicContact CE1-CB 4.38Å; E33-K35 PolarHBondContact O-N 2.98Å
34E88.5Confident83.5Confident171 Ų171128.3 Ų128.380%0.79967%0.668SS**PPolyproline II helixtrans-62.8134.7177.8-65.9-168.1150.900110.9F32 E36F32-E34 PolarHBondContact O-N 3.42Å; E34-E36 PolarHBondContact O-N 2.74Å
35K89.3Confident83.2Confident176 Ų176129.5 Ų129.577%0.76567%0.668SS**PPolyproline II helixtrans-76.4123.2176.1-72.3-175.7179.7175.90110.2E33 L37E33-K35 PolarHBondContact O-N 2.98Å; K35-L37 PolarHBondContact O-N 3.49Å
36E86.3Confident82.4Confident194 Ų194125.8 Ų125.891%0.90766%0.656SS**PPolyproline II helixtrans-62.6130.8170.8-63.3-16816100110.9E34E34-E36 PolarHBondContact O-N 2.74Å
37L81.1Confident82Confident143 Ų143124.7 Ų124.775%0.74966%0.658SS**PPolyproline II helixtrans-101.6125.1168.7-64.7175.3000108.5K35 V39K35-L37 PolarHBondContact O-N 3.49Å; L37-V39 HydrophobicContact CB-CG1 4.12Å; L37-V39 PolarHBondContact O-N 3.06Å
38S79.8Confident81.2Confident132 Ų132122.5 Ų122.592%0.92366%0.662SS**  trans-70.880.2167.11580000109.2
39V77.3Confident80.1Confident92 Ų92122.4 Ų122.456%0.55866%0.657SS**  trans-93.4128.8170.3-66.70000109.6L37 V44L37-V39 HydrophobicContact CB-CG1 4.12Å; L37-V39 PolarHBondContact O-N 3.06Å; V39-V44 HydrophobicContact CG2-CG2 4.4Å
40G78.2Confident78.9Confident46 Ų46121.9 Ų121.947%0.47465%0.654SS.*  trans-65.9149.1173.200000111D42 A43G40-D42 PolarHBondContact O-N 2.94Å; G40-A43 PolarHBondContact O-N 3.05Å
41L76.2Confident77.4Confident141 Ų141118.8 Ų118.874%0.73864%0.643SS**Hα-helixtrans-51.7-29.6177.5-177.262.2000112.8A43 V44 K45L41-A43 VanDerWaalsContact C-N 3.33Å; L41-A43 PolarHBondContact O-N 2.95Å; L41-V44 PolarHBondContact O-N 2.88Å; L41-K45 PolarHBondContact O-N 3.16Å
42D77.5Confident76Confident134 Ų134110.5 Ų110.572%0.71762%0.62SS**Hα-helixtrans-62.2-36.1178.3-61.7-34.6000113.1G40 K45 A46G40-D42 PolarHBondContact O-N 2.94Å; D42-K45 PolarHBondContact O-N 3.2Å; D42-A46 WeakPolarHBondContact O-CB 3.46Å; D42-A46 PolarHBondContact O-N 2.74Å
43A75.6Confident74.8Confident54 Ų54107.8 Ų107.845%0.44661%0.613SS.*Hα-helixtrans-69.8-40177.100000111.4G40 L41 K45 A46 V47G40-A43 PolarHBondContact O-N 3.05Å; L41-A43 VanDerWaalsContact C-N 3.33Å; L41-A43 PolarHBondContact O-N 2.95Å; A43-K45 VanDerWaalsContact C-N 3.34Å; A43-A46 PolarHBondContact O-N 3.24Å; A43-V47 PolarHBondContact O-N 2.85Å
44V77Confident73.6Confident86 Ų86104.6 Ų104.652%0.52161%0.611SS.*Hα-helixtrans-63.7-43.5175.8-177.30000110.3V39 L41 V47 S48V39-V44 HydrophobicContact CG2-CG2 4.4Å; L41-V44 PolarHBondContact O-N 2.88Å; V44-V47 PolarHBondContact O-N 3.12Å; V44-S48 PolarHBondContact O-N 2.96Å; V44-S48 VanDerWaalsContact O-N 3.09Å
45K75.4Confident72.9Confident127 Ų127102.1 Ų102.155%0.55260%0.603SS**Hα-helixtrans-63.6-40.8176.6-171.1179.2176-170.70112.1L41 D42 A43 V47 S48 D49L41-K45 PolarHBondContact O-N 3.16Å; D42-K45 PolarHBondContact O-N 3.2Å; A43-K45 VanDerWaalsContact C-N 3.34Å; K45-V47 VanDerWaalsContact C-N 3.29Å; K45-V47 PolarHBondContact O-N 3.49Å; K45-S48 CarbonylContact O-C 3.57Å; K45-S48 WeakPolarHBondContact O-CA 3.43Å; K45-S48 WeakPolarHBondContact O-CB 3.31Å; K45-S48 PolarHBondContact O-N 3.46Å; K45-S48 VanDerWaalsContact O-N 3.09Å; K45-D49 WeakPolarHBondContact O-CB 3.45Å; K45-D49 PolarHBondContact O-N 3.44Å
46A70.9Confident72.2Confident50 Ų5099.9 Ų99.941%0.41359%0.593SS.*Hα-helixtrans-61.4-35.4176.200000112.8D42 A43 D49 T50D42-A46 WeakPolarHBondContact O-CB 3.46Å; D42-A46 PolarHBondContact O-N 2.74Å; A43-A46 PolarHBondContact O-N 3.24Å; A46-D49 PolarHBondContact O-N 3.02Å; A46-T50 WeakPolarHBondContact O-CB 3.34Å; A46-T50 WeakPolarHBondContact O-CG2 3.47Å; A46-T50 PolarHBondContact O-N 3.08Å; A46-T50 PolarHBondContact O-OG1 3.5Å
47V72.7Confident71.7Confident101 Ų10192.6 Ų92.661%0.61257%0.566SS**Hα-helixtrans-68.9-40.5173.4179.40000110.9A43 V44 K45 D49 T50 A51A43-V47 PolarHBondContact O-N 2.85Å; V44-V47 PolarHBondContact O-N 3.12Å; K45-V47 VanDerWaalsContact C-N 3.29Å; K45-V47 PolarHBondContact O-N 3.49Å; V47-D49 VanDerWaalsContact C-N 3.29Å; V47-D49 PolarHBondContact O-N 3.03Å; V47-T50 WeakPolarHBondContact CA-OG1 3.38Å; V47-T50 PolarHBondContact O-N 2.95Å; V47-T50 PolarHBondContact O-OG1 3.22Å; V47-A51 PolarHBondContact O-N 2.91Å
48S67.7Low71.5Confident82 Ų8291.1 Ų91.157%0.57356%0.556SS**Hα-helixtrans-64.7-32.4175.4-168.40000113.1V44 K45V44-S48 PolarHBondContact O-N 2.96Å; V44-S48 VanDerWaalsContact O-N 3.09Å; K45-S48 CarbonylContact O-C 3.57Å; K45-S48 WeakPolarHBondContact O-CA 3.43Å; K45-S48 WeakPolarHBondContact O-CB 3.31Å; K45-S48 PolarHBondContact O-N 3.46Å; K45-S48 VanDerWaalsContact O-N 3.09Å
49D63.6Low71.5Confident113 Ų11390.7 Ų90.760%0.60454%0.537SS*.Hα-helixtrans-84.5-26.4-179.4-69.8-20.7000112.3K45 A46 V47K45-D49 WeakPolarHBondContact O-CB 3.45Å; K45-D49 PolarHBondContact O-N 3.44Å; A46-D49 PolarHBondContact O-N 3.02Å; V47-D49 VanDerWaalsContact C-N 3.29Å; V47-D49 PolarHBondContact O-N 3.03Å
50T62.2Low71.6Confident113 Ų11392.1 Ų92.169%0.69354%0.538SS*.Hα-helixtrans-86.7-21.7176.852.40000113.4A46 V47 G52A46-T50 WeakPolarHBondContact O-CB 3.34Å; A46-T50 WeakPolarHBondContact O-CG2 3.47Å; A46-T50 PolarHBondContact O-N 3.08Å; A46-T50 PolarHBondContact O-OG1 3.5Å; V47-T50 WeakPolarHBondContact CA-OG1 3.38Å; V47-T50 PolarHBondContact O-N 2.95Å; V47-T50 PolarHBondContact O-OG1 3.22Å; T50-G52 PolarHBondContact O-N 3.29Å
51A57.2Low71.7Confident36 Ų3697 Ų9730%0.29855%0.546SS..SBendtrans-61.8106.6161.100000106.4V47 D53V47-A51 PolarHBondContact O-N 2.91Å; A51-D53 PolarHBondContact O-N 3.16Å
52G59.7Low71.9Confident33 Ų3395.4 Ų95.434%0.3454%0.535SS..THydrogen-bonded Turntrans-61.831.3176.900000114.3T50 A54 D55 K56T50-G52 PolarHBondContact O-N 3.29Å; G52-A54 VanDerWaalsContact C-N 3.27Å; G52-A54 PolarHBondContact O-N 3.44Å; G52-D55 PolarHBondContact O-N 2.95Å; G52-K56 WeakPolarHBondContact O-CB 3.34Å; G52-K56 VanDerWaalsContact O-CG 3.25Å; G52-K56 WeakPolarHBondContact O-CG 2.98Å; G52-K56 PolarHBondContact O-N 3.3Å
53D63.6Low72.1Confident94 Ų9490.3 Ų90.350%0.50351%0.507SS..Hα-helixtrans-64.9-31176.9-69.9-16.5000111A51 A57A51-D53 PolarHBondContact O-N 3.16Å; D53-A57 WeakPolarHBondContact O-CA 3.4Å; D53-A57 WeakPolarHBondContact O-CB 3.49Å; D53-A57 PolarHBondContact O-N 3.37Å
54A66.6Low72.4Confident78 Ų7893.9 Ų93.965%0.64552%0.518SS*.Hα-helixtrans-60.9-50.317200000111.4G52 A57 Q58G52-A54 VanDerWaalsContact C-N 3.27Å; G52-A54 PolarHBondContact O-N 3.44Å; A54-A57 PolarHBondContact O-N 3.03Å; A54-Q58 VanDerWaalsContact O-CB 3.29Å; A54-Q58 WeakPolarHBondContact O-CB 3.31Å; A54-Q58 PolarHBondContact O-N 3.2Å
55D72.3Confident72.9Confident119 Ų11998 Ų9864%0.63653%0.529SS*.Hα-helixtrans-69.4-42178.9-78.3-25.1000112.2G52 Q58 K59G52-D55 PolarHBondContact O-N 2.95Å; D55-Q58 PolarHBondContact O-N 3.27Å; D55-K59 WeakPolarHBondContact O-CB 3.45Å; D55-K59 PolarHBondContact O-N 3.21Å
56K75.3Confident73.4Confident129 Ų12994.1 Ų94.156%0.56151%0.514SS*.Hα-helixtrans-63.5-42175.8-71.8172.6-173.7174.20111.6G52 K59 Q60G52-K56 WeakPolarHBondContact O-CB 3.34Å; G52-K56 VanDerWaalsContact O-CG 3.25Å; G52-K56 WeakPolarHBondContact O-CG 2.98Å; G52-K56 PolarHBondContact O-N 3.3Å; K56-K59 PolarHBondContact O-N 3.44Å; K56-Q60 WeakPolarHBondContact O-CB 3.45Å; K56-Q60 VanDerWaalsContact O-CG 3.26Å; K56-Q60 WeakPolarHBondContact O-CG 3.41Å; K56-Q60 PolarHBondContact O-N 3.32Å; K56-Q60 PolarHBondContact O-NE2 3.33Å
57A76.2Confident74.2Confident41 Ų41101.3 Ų101.334%0.33954%0.536SS..Hα-helixtrans-68.1-39.6177.500000110.9D53 A54 Q60 K61D53-A57 WeakPolarHBondContact O-CA 3.4Å; D53-A57 WeakPolarHBondContact O-CB 3.49Å; D53-A57 PolarHBondContact O-N 3.37Å; A54-A57 PolarHBondContact O-N 3.03Å; A57-Q60 PolarHBondContact O-N 3.06Å; A57-K61 WeakPolarHBondContact O-CB 3.33Å; A57-K61 VanDerWaalsContact O-CG 3.31Å; A57-K61 WeakPolarHBondContact O-CG 3.45Å; A57-K61 PolarHBondContact O-N 3.18Å
58Q77.5Confident75.1Confident113 Ų11398.3 Ų98.353%0.52852%0.518SS..Hα-helixtrans-63.5-45.3174.5-178.9168.2-51.400111.5A54 D55 Q60 K61 Q62A54-Q58 VanDerWaalsContact O-CB 3.29Å; A54-Q58 WeakPolarHBondContact O-CB 3.31Å; A54-Q58 PolarHBondContact O-N 3.2Å; D55-Q58 PolarHBondContact O-N 3.27Å; Q58-Q60 PolarHBondContact O-N 3.04Å; Q58-K61 PolarHBondContact O-N 3.18Å; Q58-Q62 WeakPolarHBondContact O-CG 3.47Å; Q58-Q62 PolarHBondContact O-N 3.44Å
59K79.1Confident76.3Confident122 Ų122101 Ų10153%0.5352%0.519SS..Hα-helixtrans-59.7-45.9175.7-173.4176.6178.1-1780111.3D55 K56 K61 Q62 M63D55-K59 WeakPolarHBondContact O-CB 3.45Å; D55-K59 PolarHBondContact O-N 3.21Å; K56-K59 PolarHBondContact O-N 3.44Å; K59-K61 PolarHBondContact O-N 2.94Å; K59-Q62 WeakPolarHBondContact O-CB 3.29Å; K59-Q62 PolarHBondContact O-N 3.48Å; K59-Q62 VanDerWaalsContact O-N 3.16Å; K59-M63 HydrophobicContact CG-SD 4.23Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 3.46Å
60Q78.4Confident77.7Confident122 Ų122101.3 Ų101.357%0.5752%0.52SS*.Hα-helixtrans-61-43.6176-75.5174.377.800112.2K56 A57 Q58 Q62 M63 L64K56-Q60 WeakPolarHBondContact O-CB 3.45Å; K56-Q60 VanDerWaalsContact O-CG 3.26Å; K56-Q60 WeakPolarHBondContact O-CG 3.41Å; K56-Q60 PolarHBondContact O-N 3.32Å; K56-Q60 PolarHBondContact O-NE2 3.33Å; A57-Q60 PolarHBondContact O-N 3.06Å; Q58-Q60 PolarHBondContact O-N 3.04Å; Q60-Q62 VanDerWaalsContact C-N 3.26Å; Q60-Q62 PolarHBondContact O-N 2.84Å; Q60-M63 PolarHBondContact O-N 2.97Å; Q60-L64 WeakPolarHBondContact O-CG 3.4Å; Q60-L64 PolarHBondContact O-N 3.46Å
61K81.8Confident79.3Confident148 Ų148103.2 Ų103.264%0.64352%0.522SS*.Hα-helixtrans-59.9-35.9175.1-76.7175.4-178.9177.90112.6A57 Q58 K59A57-K61 WeakPolarHBondContact O-CB 3.33Å; A57-K61 VanDerWaalsContact O-CG 3.31Å; A57-K61 WeakPolarHBondContact O-CG 3.45Å; A57-K61 PolarHBondContact O-N 3.18Å; Q58-K61 PolarHBondContact O-N 3.18Å; K59-K61 PolarHBondContact O-N 2.94Å
62Q80.2Confident81.1Confident109 Ų109102.7 Ų102.751%0.50951%0.514SS..Hα-helixtrans-69.4-44.7174.9-68.1176.43100111.3Q58 K59 Q60 L64 K65Q58-Q62 WeakPolarHBondContact O-CG 3.47Å; Q58-Q62 PolarHBondContact O-N 3.44Å; K59-Q62 WeakPolarHBondContact O-CB 3.29Å; K59-Q62 PolarHBondContact O-N 3.48Å; K59-Q62 VanDerWaalsContact O-N 3.16Å; Q60-Q62 VanDerWaalsContact C-N 3.26Å; Q60-Q62 PolarHBondContact O-N 2.84Å; Q62-L64 VanDerWaalsContact C-N 3.25Å; Q62-L64 PolarHBondContact O-N 3.27Å; Q62-K65 WeakPolarHBondContact O-CB 3.25Å; Q62-K65 PolarHBondContact O-N 2.92Å
63M82Confident82.8Confident26 Ų26101.3 Ų101.313%0.12850%0.499CS..Hα-helixtrans-59.7-33.2177.7-69.517368.700113.1K59 Q60 K65 I66 R89 K92 E93K59-M63 HydrophobicContact CG-SD 4.23Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 3.46Å; Q60-M63 PolarHBondContact O-N 2.97Å; M63-K65 PolarHBondContact O-N 3.16Å; M63-I66 WeakPolarHBondContact O-CB 3.39Å; M63-I66 PolarHBondContact O-N 3.02Å; M63-R89 HydrophobicContact CE-CG 4.13Å; M63-K92 HydrophobicContact CB-CB 4.12Å; M63-K92 HydrophobicContact CE-CB 3.88Å; M63-K92 WeakPolarHBondContact O-CD 3.15Å; M63-E93 HydrophobicContact CE-CB 4.43Å; M63-E93 HydrophobicContact CE-CG 3.32Å; M63-E93 HydrophobicContact SD-CG 4.1Å
64L80.6Confident84.3Confident129 Ų12999.2 Ų99.268%0.67549%0.492SS*.THydrogen-bonded Turntrans-66.4-22.4176.7-71.2173.3000113.9Q60 Q62 I66Q60-L64 WeakPolarHBondContact O-CG 3.4Å; Q60-L64 PolarHBondContact O-N 3.46Å; Q62-L64 VanDerWaalsContact C-N 3.25Å; Q62-L64 PolarHBondContact O-N 3.27Å; L64-I66 VanDerWaalsContact C-N 3.3Å
65K87Confident85.6Confident174 Ų17499 Ų9976%0.75748%0.479SS*.THydrogen-bonded Turntrans-78.9-16.8177.1-62.8177.4-178.5-179.90112.5Q62 M63 K67Q62-K65 WeakPolarHBondContact O-CB 3.25Å; Q62-K65 PolarHBondContact O-N 2.92Å; M63-K65 PolarHBondContact O-N 3.16Å; K65-K67 PolarHBondContact O-N 2.83Å
66I86.4Confident86.7Confident45 Ų4593.3 Ų93.323%0.23145%0.448CS..  trans-80.6117.5-176.6-60.7171.6000108.5M63 L64 V68 K92M63-I66 WeakPolarHBondContact O-CB 3.39Å; M63-I66 PolarHBondContact O-N 3.02Å; L64-I66 VanDerWaalsContact C-N 3.3Å; I66-V68 HydrophobicContact CG2-CG1 4.39Å; I66-K92 HydrophobicContact CB-CG 4.5Å; I66-K92 WeakPolarHBondContact CD1-O 3.25Å
67K88.8Confident87.7Confident200 Ų20088.7 Ų88.787%0.8743%0.432SS*.  trans-81126.9174.5-66.3-177.7179.4179.40108.9K65K65-K67 PolarHBondContact O-N 2.83Å
68V91.3Very high88.5Confident39 Ų3993.1 Ų93.124%0.23645%0.446CS..  trans-114.4144175.3-610000108.8I66 V73 L91 K92I66-V68 HydrophobicContact CG2-CG1 4.39Å; V68-V73 HydrophobicContact CG2-CG2 4.21Å; V68-L91 HydrophobicContact CB-CB 4.25Å; V68-L91 HydrophobicContact CB-CD1 4.41Å; V68-L91 HydrophobicContact CG1-CB 3.68Å; V68-K92 HydrophobicContact CG1-CG 3.89Å
69K93Very high89.3Confident138 Ų13894 Ų9460%0.645%0.45SS*.  trans-80.9142.3177.3-55.9176.2-177.9171.50109.5E71 D72 V73K69-E71 VanDerWaalsContact C-N 3.29Å; K69-E71 PolarHBondContact O-N 3.33Å; K69-D72 HydrophobicContact CB-CB 4.36Å; K69-D72 WeakPolarHBondContact CB-OD2 3.38Å; K69-D72 PolarHBondContact O-N 3.38Å; K69-V73 WeakPolarHBondContact O-CG2 3.04Å; K69-V73 PolarHBondContact O-N 2.94Å
70N93.2Very high90Very high119 Ų11990.9 Ų90.964%0.63644%0.439SS*.Hα-helixtrans-67-33.4178.1-164.2-16.4000111.6D72 V73 S74N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 3.15Å; N70-V73 PolarHBondContact O-N 3.38Å; N70-S74 WeakPolarHBondContact O-CB 3.49Å; N70-S74 PolarHBondContact O-N 2.77Å
71E95.1Very high90.7Very high154 Ų15493.7 Ų93.772%0.7245%0.452SS*.Hα-helixtrans-56.5-47173.5-67.3171.6-164.800111.6K69 V73 S74 L75K69-E71 VanDerWaalsContact C-N 3.29Å; K69-E71 PolarHBondContact O-N 3.33Å; E71-V73 VanDerWaalsContact C-N 3.35Å; E71-V73 PolarHBondContact O-N 3.49Å; E71-S74 PolarHBondContact O-N 2.9Å; E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 PolarHBondContact O-N 3.16Å
72D94.8Very high91.2Very high25 Ų2588.5 Ų88.513%0.13443%0.432CS..Hα-helixtrans-62.8-41.2178.5-58.2-17.2000111.7K69 N70 I76 L91 V98K69-D72 HydrophobicContact CB-CB 4.36Å; K69-D72 WeakPolarHBondContact CB-OD2 3.38Å; K69-D72 PolarHBondContact O-N 3.38Å; N70-D72 VanDerWaalsContact C-N 3.33Å; N70-D72 PolarHBondContact O-N 3.15Å; D72-I76 WeakPolarHBondContact O-CD1 3.45Å; D72-I76 WeakPolarHBondContact O-CG1 3.44Å; D72-I76 PolarHBondContact O-N 3.34Å; D72-I76 VanDerWaalsContact O-N 3.12Å; D72-L91 HydrophobicContact CB-CD1 4.03Å; D72-L91 HydrophobicContact CB-CD2 4.28Å; D72-V98 HydrophobicContact CB-CG2 3.54Å; D72-V98 WeakPolarHBondContact OD1-CG2 3.28Å; D72-V98 WeakPolarHBondContact OD2-CG2 3.41Å
73V95.1Very high91.9Very high4 Ų486.3 Ų86.32%0.02443%0.429CS..Hα-helixtrans-63.4-46.1176.2176.90000110.5V68 K69 N70 E71 I76 C77 K84 A87 E88 L91V68-V73 HydrophobicContact CG2-CG2 4.21Å; K69-V73 WeakPolarHBondContact O-CG2 3.04Å; K69-V73 PolarHBondContact O-N 2.94Å; N70-V73 PolarHBondContact O-N 3.38Å; E71-V73 VanDerWaalsContact C-N 3.35Å; E71-V73 PolarHBondContact O-N 3.49Å; V73-I76 PolarHBondContact O-N 2.98Å; V73-C77 PolarHBondContact O-N 3.19Å; V73-C77 PolarHBondContact O-SG 3.26Å; V73-K84 HydrophobicContact CG1-CG 3.88Å; V73-A87 HydrophobicContact CG1-CB 4.16Å; V73-E88 HydrophobicContact CG1-CG 3.89Å; V73-E88 HydrophobicContact CG2-CG 3.74Å; V73-L91 HydrophobicContact CB-CD1 4.3Å; V73-L91 HydrophobicContact CG2-CD1 3.5Å; V73-L91 VanDerWaalsContact CG2-CD1 3.5Å
74S94.7Very high92.5Very high50 Ų5090.8 Ų90.835%0.3545%0.448SS..Hα-helixtrans-63.6-42.7-179.8-171.20000111.7N70 E71 C77 Q78N70-S74 WeakPolarHBondContact O-CB 3.49Å; N70-S74 PolarHBondContact O-N 2.77Å; E71-S74 PolarHBondContact O-N 2.9Å; S74-C77 PolarHBondContact O-N 3.35Å; S74-Q78 WeakPolarHBondContact O-CB 3.34Å; S74-Q78 VanDerWaalsContact O-CG 3.31Å; S74-Q78 WeakPolarHBondContact O-CG 3.39Å; S74-Q78 PolarHBondContact O-N 3.38Å
75L95.5Very high93.1Very high72 Ų7291.1 Ų91.138%0.37745%0.45SS..Hα-helixtrans-57.6-50.9175.9-179.869000110.7E71 C77 Q78 E79 V98E71-L75 WeakPolarHBondContact O-CB 3.49Å; E71-L75 PolarHBondContact O-N 3.16Å; L75-C77 VanDerWaalsContact C-N 3.34Å; L75-C77 PolarHBondContact O-N 3.3Å; L75-Q78 PolarHBondContact O-N 2.9Å; L75-E79 HydrophobicContact CD1-CG 3.78Å; L75-E79 HydrophobicContact CG-CG 4.25Å; L75-E79 WeakPolarHBondContact O-CB 3.26Å; L75-E79 VanDerWaalsContact O-CG 3.3Å; L75-E79 WeakPolarHBondContact O-CG 3.42Å; L75-E79 PolarHBondContact O-N 2.83Å; L75-V98 HydrophobicContact CD2-CG1 4.19Å
76I94.8Very high93.4Very high0 Ų085.2 Ų85.20%043%0.428CS..Hα-helixtrans-62.5-41.4180-68.8163.6000111.6D72 V73 Q78 L80 V82 A87 L91 T101 L102 L105D72-I76 WeakPolarHBondContact O-CD1 3.45Å; D72-I76 WeakPolarHBondContact O-CG1 3.44Å; D72-I76 PolarHBondContact O-N 3.34Å; D72-I76 VanDerWaalsContact O-N 3.12Å; V73-I76 PolarHBondContact O-N 2.98Å; I76-Q78 VanDerWaalsContact C-N 3.3Å; I76-Q78 PolarHBondContact O-N 3.39Å; I76-L80 HydrophobicContact CG2-CD1 4.37Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 PolarHBondContact O-N 2.77Å; I76-L80 VanDerWaalsContact O-N 3.08Å; I76-V82 HydrophobicContact CG2-CG2 3.62Å; I76-A87 HydrophobicContact CB-CB 4.07Å; I76-A87 HydrophobicContact CG2-CB 3.63Å; I76-L91 HydrophobicContact CD1-CD1 3.74Å; I76-L91 HydrophobicContact CD1-CD2 3.78Å; I76-L91 HydrophobicContact CD1-CG 3.61Å; I76-T101 HydrophobicContact CD1-CG2 3.59Å; I76-L102 HydrophobicContact CG1-CD2 4.01Å; I76-L105 HydrophobicContact CG2-CD1 3.74Å
77C95.7Very high93.8Very high32 Ų3283 Ų8322%0.21642%0.417CS..Hα-helixtrans-64.2-36.1178.3-65.40000112.3V73 S74 L75 E81V73-C77 PolarHBondContact O-N 3.19Å; V73-C77 PolarHBondContact O-SG 3.26Å; S74-C77 PolarHBondContact O-N 3.35Å; L75-C77 VanDerWaalsContact C-N 3.34Å; L75-C77 PolarHBondContact O-N 3.3Å; C77-E81 WeakPolarHBondContact O-CA 3.47Å; C77-E81 PolarHBondContact O-N 3.18Å
78Q94.7Very high94Very high135 Ų13576 Ų7663%0.63139%0.388SS*.Hα-helixtrans-77.6-45.7-179.8-74.2174.6-17.800112.3S74 L75 I76S74-Q78 WeakPolarHBondContact O-CB 3.34Å; S74-Q78 VanDerWaalsContact O-CG 3.31Å; S74-Q78 WeakPolarHBondContact O-CG 3.39Å; S74-Q78 PolarHBondContact O-N 3.38Å; L75-Q78 PolarHBondContact O-N 2.9Å; I76-Q78 VanDerWaalsContact C-N 3.3Å; I76-Q78 PolarHBondContact O-N 3.39Å
79E93.3Very high94Very high131 Ų13180.9 Ų80.961%0.61240%0.402SS*.Hα-helixtrans-78.7-31.6-173.2-63.4-61.2144.800113.1L75L75-E79 HydrophobicContact CD1-CG 3.78Å; L75-E79 HydrophobicContact CG-CG 4.25Å; L75-E79 WeakPolarHBondContact O-CB 3.26Å; L75-E79 VanDerWaalsContact O-CG 3.3Å; L75-E79 WeakPolarHBondContact O-CG 3.42Å; L75-E79 PolarHBondContact O-N 2.83Å
80L93.3Very high94.1Very high56 Ų5677.5 Ų77.529%0.29339%0.386SS..SBendtrans-112.21.6-176.5-61.8178.6000113.8I76 V82 L102 L105I76-L80 HydrophobicContact CG2-CD1 4.37Å; I76-L80 WeakPolarHBondContact O-CB 3.44Å; I76-L80 PolarHBondContact O-N 2.77Å; I76-L80 VanDerWaalsContact O-N 3.08Å; L80-V82 HydrophobicContact CB-CG1 4.15Å; L80-V82 HydrophobicContact CB-CG2 4.45Å; L80-V82 PolarHBondContact O-N 2.87Å; L80-L102 HydrophobicContact CD1-CD2 3.75Å; L80-L102 HydrophobicContact CG-CD2 4.32Å; L80-L105 HydrophobicContact CD1-CB 3.58Å; L80-L105 HydrophobicContact CD1-CD1 3.59Å; L80-L105 HydrophobicContact CD1-CG 4.21Å
81E92.8Very high94.1Very high182 Ų18271.9 Ų71.985%0.8536%0.355SS*.  trans51.731.3-179.1-58.2-169.6150.800114C77C77-E81 WeakPolarHBondContact O-CA 3.47Å; C77-E81 PolarHBondContact O-N 3.18Å
82V93.6Very high94Very high38 Ų3866.5 Ų66.523%0.2333%0.33CS..  trans-90154.5177.7-63.10000111.7I76 L80 T86 A87I76-V82 HydrophobicContact CG2-CG2 3.62Å; L80-V82 HydrophobicContact CB-CG1 4.15Å; L80-V82 HydrophobicContact CB-CG2 4.45Å; L80-V82 PolarHBondContact O-N 2.87Å; V82-T86 HydrophobicContact CB-CG2 4.39Å; V82-A87 HydrophobicContact CG2-CB 4.11Å
83S95Very high93.8Very high64 Ų6468.4 Ų68.445%0.44834%0.338SS..  trans-61.9149.217486.60000111.4L85 T86 A87S83-L85 PolarHBondContact O-N 3.5Å; S83-L85 PolarHBondContact OG-N 3.11Å; S83-T86 WeakPolarHBondContact O-CA 3.39Å; S83-T86 WeakPolarHBondContact O-CB 3.35Å; S83-T86 PolarHBondContact O-N 3.33Å; S83-T86 PolarHBondContact OG-N 3.25Å; S83-T86 VanDerWaalsContact OG-N 3.12Å; S83-T86 PolarHBondContact OG-OG1 3.25Å; S83-A87 PolarHBondContact O-N 3.45Å
84K94.3Very high93.7Very high119 Ų11970.5 Ų70.552%0.51735%0.347SS..Hα-helixtrans-53-39.4174.1-175.2178.5175.4-179.90112.6V73 T86 A87 E88V73-K84 HydrophobicContact CG1-CG 3.88Å; K84-T86 VanDerWaalsContact C-N 3.34Å; K84-T86 PolarHBondContact O-N 3.22Å; K84-A87 PolarHBondContact O-N 3.36Å; K84-E88 WeakPolarHBondContact CE-OE1 3.46Å; K84-E88 HydrophobicContact CG-CG 4.44Å; K84-E88 IonicContact NZ-OE1 3.9Å; K84-E88 WeakPolarHBondContact O-CB 3.31Å; K84-E88 WeakPolarHBondContact O-CG 2.97Å; K84-E88 PolarHBondContact O-N 3.23Å
85L93.3Very high93.5Very high136 Ų13676.1 Ų76.171%0.71237%0.368SS*.Hα-helixtrans-63-42177.9-175.968.6000111.4S83 R89S83-L85 PolarHBondContact O-N 3.5Å; S83-L85 PolarHBondContact OG-N 3.11Å; L85-R89 VanDerWaalsContact O-CB 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.13Å; L85-R89 PolarHBondContact O-N 3.19Å
86T93Very high93.2Very high50 Ų5073.6 Ų73.631%0.30736%0.359SS..Hα-helixtrans-65.2-49.2176.4-50.70000110.7V82 S83 K84 E88 R89 Y90V82-T86 HydrophobicContact CB-CG2 4.39Å; S83-T86 WeakPolarHBondContact O-CA 3.39Å; S83-T86 WeakPolarHBondContact O-CB 3.35Å; S83-T86 PolarHBondContact O-N 3.33Å; S83-T86 PolarHBondContact OG-N 3.25Å; S83-T86 VanDerWaalsContact OG-N 3.12Å; S83-T86 PolarHBondContact OG-OG1 3.25Å; K84-T86 VanDerWaalsContact C-N 3.34Å; K84-T86 PolarHBondContact O-N 3.22Å; T86-E88 PolarHBondContact O-N 2.96Å; T86-R89 PolarHBondContact O-N 3.27Å; T86-Y90 HydrophobicContact CG2-CD2 3.93Å; T86-Y90 HydrophobicContact CG2-CE2 3.91Å; T86-Y90 WeakPolarHBondContact O-CD2 3.29Å; T86-Y90 PolarHBondContact O-N 3.47Å
87A94Very high93.1Very high0 Ų076.6 Ų76.60%038%0.376CS..Hα-helixtrans-58.2-49179.400000112.2V73 I76 V82 S83 K84 R89 Y90 L91V73-A87 HydrophobicContact CG1-CB 4.16Å; I76-A87 HydrophobicContact CB-CB 4.07Å; I76-A87 HydrophobicContact CG2-CB 3.63Å; V82-A87 HydrophobicContact CG2-CB 4.11Å; S83-A87 PolarHBondContact O-N 3.45Å; K84-A87 PolarHBondContact O-N 3.36Å; A87-R89 VanDerWaalsContact C-N 3.32Å; A87-R89 PolarHBondContact O-N 3.5Å; A87-Y90 PolarHBondContact O-N 2.99Å; A87-L91 WeakPolarHBondContact O-CB 3.32Å; A87-L91 WeakPolarHBondContact O-CG 3.45Å; A87-L91 PolarHBondContact O-N 2.64Å
88E93Very high93Very high53 Ų5376.5 Ų76.525%0.24837%0.374CS..Hα-helixtrans-63-38.8177.7-75.6-175.1-176.900112.6V73 K84 T86 K92V73-E88 HydrophobicContact CG1-CG 3.89Å; V73-E88 HydrophobicContact CG2-CG 3.74Å; K84-E88 WeakPolarHBondContact CE-OE1 3.46Å; K84-E88 HydrophobicContact CG-CG 4.44Å; K84-E88 IonicContact NZ-OE1 3.9Å; K84-E88 WeakPolarHBondContact O-CB 3.31Å; K84-E88 WeakPolarHBondContact O-CG 2.97Å; K84-E88 PolarHBondContact O-N 3.23Å; T86-E88 PolarHBondContact O-N 2.96Å; E88-K92 WeakPolarHBondContact O-CB 3.49Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.41Å; E88-K92 PolarHBondContact O-N 3.01Å
89R92.6Very high92.9Very high141 Ų14177.3 Ų77.353%0.53238%0.375SS..Hα-helixtrans-61.7-51.9178179.4-178.5165.5-155.8-11.3110.6M63 L85 T86 A87 K92 E93M63-R89 HydrophobicContact CE-CG 4.13Å; L85-R89 VanDerWaalsContact O-CB 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.13Å; L85-R89 PolarHBondContact O-N 3.19Å; T86-R89 PolarHBondContact O-N 3.27Å; A87-R89 VanDerWaalsContact C-N 3.32Å; A87-R89 PolarHBondContact O-N 3.5Å; R89-K92 PolarHBondContact O-N 3.38Å; R89-K92 VanDerWaalsContact O-N 3.16Å; R89-E93 IonicContact CZ-OE1 3.38Å; R89-E93 IonicContact NE-OE1 2.84Å; R89-E93 PolarHBondContact NE-OE1 3.32Å; R89-E93 IonicContact NH2-OE1 3.04Å; R89-E93 PolarHBondContact NH2-OE1 3.5Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.28Å
90Y93.5Very high93Very high67 Ų6775.7 Ų75.726%0.26337%0.368SS..Hα-helixtrans-63.8-42.6-179.8-86.9-101.6000111.9T86 A87 K92 E93 H94 A104 L105T86-Y90 HydrophobicContact CG2-CD2 3.93Å; T86-Y90 HydrophobicContact CG2-CE2 3.91Å; T86-Y90 WeakPolarHBondContact O-CD2 3.29Å; T86-Y90 PolarHBondContact O-N 3.47Å; A87-Y90 PolarHBondContact O-N 2.99Å; Y90-K92 VanDerWaalsContact C-N 3.26Å; Y90-K92 PolarHBondContact O-N 3.09Å; Y90-E93 PolarHBondContact O-N 3.19Å; Y90-E93 VanDerWaalsContact O-N 3.08Å; Y90-H94 PolarHBondContact O-CD2 3.2Å; Y90-H94 VanDerWaalsContact O-CD2 3.29Å; Y90-H94 PolarHBondContact O-N 3.09Å; Y90-A104 HydrophobicContact CD1-CB 4.44Å; Y90-L105 HydrophobicContact CD1-CD2 3.76Å; Y90-L105 HydrophobicContact CD1-CG 3.92Å; Y90-L105 HydrophobicContact CD2-CD2 3.84Å; Y90-L105 HydrophobicContact CE1-CD2 3.69Å; Y90-L105 HydrophobicContact CE1-CG 4.18Å; Y90-L105 HydrophobicContact CE2-CD2 3.78Å; Y90-L105 HydrophobicContact CG-CD2 3.82Å; Y90-L105 HydrophobicContact CG-CG 4.16Å
91L94.2Very high93Very high0 Ų073 Ų730%035%0.354CS..Hα-helixtrans-57.5-41173.8-80168.8000111.7V68 D72 V73 I76 A87 H94 Q95 G96 V98 T101V68-L91 HydrophobicContact CB-CB 4.25Å; V68-L91 HydrophobicContact CB-CD1 4.41Å; V68-L91 HydrophobicContact CG1-CB 3.68Å; D72-L91 HydrophobicContact CB-CD1 4.03Å; D72-L91 HydrophobicContact CB-CD2 4.28Å; V73-L91 HydrophobicContact CB-CD1 4.3Å; V73-L91 HydrophobicContact CG2-CD1 3.5Å; V73-L91 VanDerWaalsContact CG2-CD1 3.5Å; I76-L91 HydrophobicContact CD1-CD1 3.74Å; I76-L91 HydrophobicContact CD1-CD2 3.78Å; I76-L91 HydrophobicContact CD1-CG 3.61Å; A87-L91 WeakPolarHBondContact O-CB 3.32Å; A87-L91 WeakPolarHBondContact O-CG 3.45Å; A87-L91 PolarHBondContact O-N 2.64Å; L91-H94 CarbonylContact O-C 3.44Å; L91-H94 PolarHBondContact O-N 3.44Å; L91-Q95 PolarHBondContact O-N 3.35Å; L91-G96 WeakPolarHBondContact O-CA 3.38Å; L91-G96 PolarHBondContact O-N 3.44Å; L91-V98 HydrophobicContact CD2-CG2 4.32Å; L91-T101 HydrophobicContact CD2-CG2 4.32Å; L91-T101 HydrophobicContact CG-CG2 4.27Å
92K93.1Very high93Very high42 Ų4266.7 Ų66.718%0.18333%0.326CS..Hα-helixtrans-68.3-37175.4-72.2172.2-176.4172.60112.5M63 I66 V68 E88 R89 Y90 H94 Q95M63-K92 HydrophobicContact CB-CB 4.12Å; M63-K92 HydrophobicContact CE-CB 3.88Å; M63-K92 WeakPolarHBondContact O-CD 3.15Å; I66-K92 HydrophobicContact CB-CG 4.5Å; I66-K92 WeakPolarHBondContact CD1-O 3.25Å; V68-K92 HydrophobicContact CG1-CG 3.89Å; E88-K92 WeakPolarHBondContact O-CB 3.49Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.41Å; E88-K92 PolarHBondContact O-N 3.01Å; R89-K92 PolarHBondContact O-N 3.38Å; R89-K92 VanDerWaalsContact O-N 3.16Å; Y90-K92 VanDerWaalsContact C-N 3.26Å; Y90-K92 PolarHBondContact O-N 3.09Å; K92-H94 VanDerWaalsContact C-N 3.27Å; K92-H94 PolarHBondContact O-N 3.41Å; K92-Q95 PolarHBondContact O-N 2.96Å
93E91.3Very high93Very high65 Ų6567.7 Ų67.730%0.30433%0.332SS..Hα-helixtrans-63.5-34.6175.1-68-176.1-171.400111.6M63 R89 Y90M63-E93 HydrophobicContact CE-CB 4.43Å; M63-E93 HydrophobicContact CE-CG 3.32Å; M63-E93 HydrophobicContact SD-CG 4.1Å; R89-E93 IonicContact CZ-OE1 3.38Å; R89-E93 IonicContact NE-OE1 2.84Å; R89-E93 PolarHBondContact NE-OE1 3.32Å; R89-E93 IonicContact NH2-OE1 3.04Å; R89-E93 PolarHBondContact NH2-OE1 3.5Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.28Å; Y90-E93 PolarHBondContact O-N 3.19Å; Y90-E93 VanDerWaalsContact O-N 3.08Å
94H92.8Very high92.9Very high48 Ų4865.8 Ų65.822%0.22232%0.32CS..THydrogen-bonded Turntrans-99.925.9179.9-68.7-80.4000114.3Y90 L91 K92 G96 N97 E100 A104Y90-H94 PolarHBondContact O-CD2 3.2Å; Y90-H94 VanDerWaalsContact O-CD2 3.29Å; Y90-H94 PolarHBondContact O-N 3.09Å; L91-H94 CarbonylContact O-C 3.44Å; L91-H94 PolarHBondContact O-N 3.44Å; K92-H94 VanDerWaalsContact C-N 3.27Å; K92-H94 PolarHBondContact O-N 3.41Å; H94-G96 PolarHBondContact O-N 2.85Å; H94-N97 VanDerWaalsContact O-CB 3.31Å; H94-N97 WeakPolarHBondContact O-CB 3.43Å; H94-N97 PolarHBondContact O-N 2.78Å; H94-E100 HydrophobicContact CB-CB 4.28Å; H94-E100 IonicContact ND1-OE2 3.57Å; H94-A104 WeakPolarHBondContact NE2-CB 3.48Å
95Q89Confident92.8Very high168 Ų16861.9 Ų61.979%0.78531%0.305SS*.THydrogen-bonded Turntrans56.626174.2-53-177.912.600115.2L91 K92L91-Q95 PolarHBondContact O-N 3.35Å; K92-Q95 PolarHBondContact O-N 2.96Å
96G89.6Confident92.6Very high19 Ų1959.9 Ų59.920%0.19630%0.301CS..THydrogen-bonded Turntrans81.110.9-177.300000114.4L91 H94 V98L91-G96 WeakPolarHBondContact O-CA 3.38Å; L91-G96 PolarHBondContact O-N 3.44Å; H94-G96 PolarHBondContact O-N 2.85Å; G96-V98 PolarHBondContact O-N 3.37Å
97N93.4Very high92Very high63 Ų6368 Ų6834%0.33733%0.332SS..  trans-80.3108.6176.1-172.2-24.4000110.9H94 F99 E100 T101H94-N97 VanDerWaalsContact O-CB 3.31Å; H94-N97 WeakPolarHBondContact O-CB 3.43Å; H94-N97 PolarHBondContact O-N 2.78Å; N97-F99 PolarHBondContact O-N 2.92Å; N97-F99 PolarHBondContact OD1-N 3.48Å; N97-E100 HydrophobicContact CB-CB 4.17Å; N97-E100 HydrophobicContact CB-CG 4.38Å; N97-E100 PolarHBondContact ND2-OE1 3.43Å; N97-E100 VanDerWaalsContact ND2-OE1 3.16Å; N97-E100 PolarHBondContact OD1-N 3.27Å; N97-T101 WeakPolarHBondContact O-CB 3.43Å; N97-T101 PolarHBondContact O-N 3Å; N97-T101 PolarHBondContact O-OG1 3.34Å
98V93.3Very high91.9Very high30 Ų3071.5 Ų71.518%0.18235%0.349CS..Hα-helixtrans-62.1-42.6179.5-173.60000112.1D72 L75 L91 G96 T101 L102D72-V98 HydrophobicContact CB-CG2 3.54Å; D72-V98 WeakPolarHBondContact OD1-CG2 3.28Å; D72-V98 WeakPolarHBondContact OD2-CG2 3.41Å; L75-V98 HydrophobicContact CD2-CG1 4.19Å; L91-V98 HydrophobicContact CD2-CG2 4.32Å; G96-V98 PolarHBondContact O-N 3.37Å; V98-T101 PolarHBondContact O-N 3.23Å; V98-L102 HydrophobicContact CG1-CD1 3.9Å; V98-L102 HydrophobicContact CG1-CG 4.23Å; V98-L102 VanDerWaalsContact O-CG 3.31Å; V98-L102 WeakPolarHBondContact O-CG 3.42Å; V98-L102 PolarHBondContact O-N 3.42Å
99F93.4Very high91.8Very high151 Ų15172.4 Ų72.466%0.66235%0.354SS*.Hα-helixtrans-64.5-48.9-177178-97000111.3N97 T101 L102 V103N97-F99 PolarHBondContact O-N 2.92Å; N97-F99 PolarHBondContact OD1-N 3.48Å; F99-T101 VanDerWaalsContact C-N 3.28Å; F99-T101 PolarHBondContact O-N 2.96Å; F99-L102 PolarHBondContact O-N 2.94Å; F99-V103 HydrophobicContact CD1-CG2 4.33Å; F99-V103 HydrophobicContact CE1-CG2 3.96Å; F99-V103 HydrophobicContact CE2-CG2 4.3Å; F99-V103 HydrophobicContact CZ-CG2 3.94Å; F99-V103 VanDerWaalsContact O-CG2 3.31Å; F99-V103 WeakPolarHBondContact O-CG2 3.48Å; F99-V103 PolarHBondContact O-N 3.43Å
100E93.8Very high91.7Very high97 Ų9768.6 Ų68.645%0.45334%0.344SS..Hα-helixtrans-62.3-38.4176.5-73.7-179.7-155.300112H94 N97 V103 A104H94-E100 HydrophobicContact CB-CB 4.28Å; H94-E100 IonicContact ND1-OE2 3.57Å; N97-E100 HydrophobicContact CB-CB 4.17Å; N97-E100 HydrophobicContact CB-CG 4.38Å; N97-E100 PolarHBondContact ND2-OE1 3.43Å; N97-E100 VanDerWaalsContact ND2-OE1 3.16Å; N97-E100 PolarHBondContact OD1-N 3.27Å; E100-V103 PolarHBondContact O-N 3.48Å; E100-A104 VanDerWaalsContact O-CB 3.29Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 3.4Å
101T93.5Very high91.6Very high0 Ų068.7 Ų68.70%035%0.349CS..Hα-helixtrans-62.6-46.8177-61.10000111.7I76 L91 N97 V98 F99 A104 L105I76-T101 HydrophobicContact CD1-CG2 3.59Å; L91-T101 HydrophobicContact CD2-CG2 4.32Å; L91-T101 HydrophobicContact CG-CG2 4.27Å; N97-T101 WeakPolarHBondContact O-CB 3.43Å; N97-T101 PolarHBondContact O-N 3Å; N97-T101 PolarHBondContact O-OG1 3.34Å; V98-T101 PolarHBondContact O-N 3.23Å; F99-T101 VanDerWaalsContact C-N 3.28Å; F99-T101 PolarHBondContact O-N 2.96Å; T101-A104 PolarHBondContact O-N 2.86Å; T101-L105 HydrophobicContact CG2-CD1 3.86Å; T101-L105 WeakPolarHBondContact O-CG 3.21Å; T101-L105 PolarHBondContact O-N 3.41Å
102L93.9Very high91.5Very high50 Ų5073 Ų7326%0.26237%0.371SS..Hα-helixtrans-63.5-43.3177.4-71.1173000111.3I76 L80 V98 F99 A104 L105 C106I76-L102 HydrophobicContact CG1-CD2 4.01Å; L80-L102 HydrophobicContact CD1-CD2 3.75Å; L80-L102 HydrophobicContact CG-CD2 4.32Å; V98-L102 HydrophobicContact CG1-CD1 3.9Å; V98-L102 HydrophobicContact CG1-CG 4.23Å; V98-L102 VanDerWaalsContact O-CG 3.31Å; V98-L102 WeakPolarHBondContact O-CG 3.42Å; V98-L102 PolarHBondContact O-N 3.42Å; F99-L102 PolarHBondContact O-N 2.94Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.46Å; L102-L105 PolarHBondContact O-N 3.25Å; L102-C106 WeakPolarHBondContact O-CB 3.36Å; L102-C106 PolarHBondContact O-N 2.99Å; L102-C106 PolarHBondContact O-SG 3.02Å
103V94Very high91.4Very high58 Ų5875.1 Ų75.135%0.35238%0.383SS..Hα-helixtrans-62.6-36.4175.6171.80000111.6F99 E100 K107F99-V103 HydrophobicContact CD1-CG2 4.33Å; F99-V103 HydrophobicContact CE1-CG2 3.96Å; F99-V103 HydrophobicContact CE2-CG2 4.3Å; F99-V103 HydrophobicContact CZ-CG2 3.94Å; F99-V103 VanDerWaalsContact O-CG2 3.31Å; F99-V103 WeakPolarHBondContact O-CG2 3.48Å; F99-V103 PolarHBondContact O-N 3.43Å; E100-V103 PolarHBondContact O-N 3.48Å; V103-K107 WeakPolarHBondContact O-CG 3.42Å
104A92.8Very high91.4Very high25 Ų2575.8 Ų75.821%0.20739%0.389CS..Hα-helixtrans-72.9-33.2178.100000113Y90 H94 E100 T101 L102Y90-A104 HydrophobicContact CD1-CB 4.44Å; H94-A104 WeakPolarHBondContact NE2-CB 3.48Å; E100-A104 VanDerWaalsContact O-CB 3.29Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 3.4Å; T101-A104 PolarHBondContact O-N 2.86Å; L102-A104 VanDerWaalsContact C-N 3.28Å; L102-A104 PolarHBondContact O-N 3.46Å
105L90.6Very high91.3Very high37 Ų3777.9 Ų77.919%0.19440%0.402CS..Hα-helixtrans-79.8-25.3178.3-73.9168.4000113.4I76 L80 Y90 T101 L102 K107I76-L105 HydrophobicContact CG2-CD1 3.74Å; L80-L105 HydrophobicContact CD1-CB 3.58Å; L80-L105 HydrophobicContact CD1-CD1 3.59Å; L80-L105 HydrophobicContact CD1-CG 4.21Å; Y90-L105 HydrophobicContact CD1-CD2 3.76Å; Y90-L105 HydrophobicContact CD1-CG 3.92Å; Y90-L105 HydrophobicContact CD2-CD2 3.84Å; Y90-L105 HydrophobicContact CE1-CD2 3.69Å; Y90-L105 HydrophobicContact CE1-CG 4.18Å; Y90-L105 HydrophobicContact CE2-CD2 3.78Å; Y90-L105 HydrophobicContact CG-CD2 3.82Å; Y90-L105 HydrophobicContact CG-CG 4.16Å; T101-L105 HydrophobicContact CG2-CD1 3.86Å; T101-L105 WeakPolarHBondContact O-CG 3.21Å; T101-L105 PolarHBondContact O-N 3.41Å; L102-L105 PolarHBondContact O-N 3.25Å; L105-K107 VanDerWaalsContact C-N 3.32Å
106C88.8Confident91.5Very high94 Ų9470.4 Ų70.464%0.63537%0.37SS*.THydrogen-bonded Turntrans-86.11.8176.4-66.70000114.1L102L102-C106 WeakPolarHBondContact O-CB 3.36Å; L102-C106 PolarHBondContact O-N 2.99Å; L102-C106 PolarHBondContact O-SG 3.02Å
107K80.3Confident91.6Very high221 Ų22175.1 Ų75.196%0.96139%0.386SS*.  trans-96.70175.5-79.3175.6-178.7-179.70110.9V103 L105V103-K107 WeakPolarHBondContact O-CG 3.42Å; L105-K107 VanDerWaalsContact C-N 3.32Å

Retrieved 107 of 107 residues in 20.3 ms (Link to these results)