A0A096N960_PAPAN Loading...

Chromatin accessibility complex protein 1

Forms a complex with DNA polymerase epsilon subunit POLE3 and binds naked DNA, which is then incorporated into chromatin, aided by the nucleosome remodeling activity of ISWI/SNF2H and ACF1. Does not enhance nucleosome sliding activity of the ACF-5 ISWI chromatin remodeling complex.

AlphaFold DB (A0A2K6DVM9), UniProt , Accession A0A096N960, Species PAPAN (Papio anubis, Olive baboon), Gene CHRAC1, Length 131 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
1M41.3Very low41.6Very low248 Ų248144.5 Ų144.5100%1.22282%0.82SS**  0101.80-71.3176.1170.500106.1
2A43Very low41.4Very low98 Ų98136.5 Ų136.581%0.8179%0.793SS**  trans-84.6125.4-176.700000108.9V4A2-V4 PolarHBondContact O-N 3.42Å
3D39.9Very low41.5Very low161 Ų161140.3 Ų140.386%0.86180%0.799SS**  trans-58.5115.3175.1-117.3-50.9000109.9V5D3-V5 PolarHBondContact O-N 3.2Å; D3-V5 VanDerWaalsContact O-N 3.15Å
4V44.7Very low42.4Very low121 Ų121142.6 Ų142.673%0.73380%0.8SS**  trans-76.699.3171.1173.80000106.7A2 V6A2-V4 PolarHBondContact O-N 3.42Å; V4-V6 VanDerWaalsContact C-N 3.31Å; V4-V6 HydrophobicContact CG1-CG2 4.43Å; V4-V6 PolarHBondContact O-N 2.91Å
5V45.7Very low43.8Very low131 Ų131147.1 Ų147.179%0.79480%0.799SS**  trans-63.496.3166.7177.70000107.4D3 G7D3-V5 PolarHBondContact O-N 3.2Å; D3-V5 VanDerWaalsContact O-N 3.15Å; V5-G7 PolarHBondContact O-N 2.85Å
6V45.7Very low45.7Very low120 Ų120147.5 Ų147.573%0.72780%0.8SS**  trans-63100.2166.6167.90000107V4 K8V4-V6 VanDerWaalsContact C-N 3.31Å; V4-V6 HydrophobicContact CG1-CG2 4.43Å; V4-V6 PolarHBondContact O-N 2.91Å; V6-K8 PolarHBondContact O-N 3.28Å
7G38.8Very low47.9Very low55 Ų55140.5 Ų140.557%0.56776%0.761SS**  trans-56.3107.2162.500000107.9V5 D9V5-G7 PolarHBondContact O-N 2.85Å; G7-D9 PolarHBondContact O-N 2.96Å
8K39.8Very low50.3Low186 Ų186138.3 Ų138.381%0.80976%0.758SS**  trans-6490.4161.2-90.3-177.3156.181.40106.4V6 K10V6-K8 PolarHBondContact O-N 3.28Å; K8-K10 PolarHBondContact O-N 3.04Å
9D42.3Very low52.5Low157 Ų157134.2 Ų134.284%0.8474%0.735SS**  trans-60.798.5156.3-72.9-36.4000105.6G7 C11G7-D9 PolarHBondContact O-N 2.96Å; D9-C11 VanDerWaalsContact C-N 3.28Å; D9-C11 PolarHBondContact O-N 3.31Å
10K40.6Very low54.6Low189 Ų189131.5 Ų131.582%0.82272%0.724SS**  trans-58106.5164.2-69.2-159.9174-172.20104.4K8 G12K8-K10 PolarHBondContact O-N 3.04Å; K10-G12 PolarHBondContact O-N 3.01Å
11C36.2Very low56.5Low123 Ų123127.7 Ų127.783%0.83170%0.703SS**  trans-55.384.4157.8-173.40000105D9 E13D9-C11 VanDerWaalsContact C-N 3.28Å; D9-C11 PolarHBondContact O-N 3.31Å; C11-E13 PolarHBondContact O-N 3.17Å
12G38.9Very low59.1Low49 Ų49120.1 Ų120.151%0.50567%0.674SS.*  trans-56.4127.8172.700000104.2K10 Q14K10-G12 PolarHBondContact O-N 3.01Å; G12-Q14 VanDerWaalsContact C-N 3.31Å; G12-Q14 PolarHBondContact O-N 2.97Å
13E42Very low61.7Low186 Ų186122.9 Ų122.987%0.86966%0.663SS**  trans-39.3107.5169.2-79.6167.5143.800106.6C11 R15C11-E13 PolarHBondContact O-N 3.17Å; E13-R15 PolarHBondContact O-N 3.2Å
14Q54.5Low64.4Low173 Ų173115.8 Ų115.881%0.80863%0.625SS**  trans-63.695.2169.9-72.2-173.5-18.600101.8G12 L16G12-Q14 VanDerWaalsContact C-N 3.31Å; G12-Q14 PolarHBondContact O-N 2.97Å; Q14-L16 PolarHBondContact O-N 3.31Å
15R63.5Low66.9Low209 Ų209113.9 Ų113.979%0.78961%0.605SS**  trans-48.5114171.4-86.4-172.8-87.2-158.9-6.2103.7E13 I17E13-R15 PolarHBondContact O-N 3.2Å; R15-I17 WeakPolarHBondContact CB-O 3.44Å; R15-I17 PolarHBondContact O-N 2.6Å
16L74Confident69.4Low154 Ų154111.8 Ų111.881%0.80659%0.592SS**SBendtrans-51.2-27.7-172.3-70169.5000110.4Q14 K47Q14-L16 PolarHBondContact O-N 3.31Å; L16-K47 WeakPolarHBondContact O-CD 3.32Å; L16-K47 PolarHBondContact O-NZ 2.85Å
17I83.9Confident71.8Confident28 Ų28110.8 Ų110.814%0.14458%0.582CS.*  trans-132.8128.8173.8-61.4168.1000109.3R15 L19 L21 V43 A46R15-I17 WeakPolarHBondContact CB-O 3.44Å; R15-I17 PolarHBondContact O-N 2.6Å; I17-L19 HydrophobicContact CG2-CB 4.34Å; I17-L19 VanDerWaalsContact CG2-O 3.29Å; I17-L19 WeakPolarHBondContact CG2-O 3.13Å; I17-L21 HydrophobicContact CD1-CD2 3.92Å; I17-L21 HydrophobicContact CG2-CD2 4.02Å; I17-V43 HydrophobicContact CD1-CB 3.86Å; I17-V43 HydrophobicContact CD1-CG1 3.5Å; I17-V43 HydrophobicContact CD1-CG2 4.02Å; I17-V43 WeakPolarHBondContact CD1-O 3.29Å; I17-A46 HydrophobicContact CB-CB 4.49Å; I17-A46 HydrophobicContact CD1-CB 3.76Å; I17-A46 HydrophobicContact CG1-CB 4.17Å; I17-A46 HydrophobicContact CG2-CB 3.54Å
18S89.8Confident74.6Confident101 Ų101110.1 Ų110.171%0.70656%0.564SS**  trans-87.2-32.3173.6-171.50000112.3E50S18-E50 WeakPolarHBondContact CA-OE1 3.49Å; S18-E50 WeakPolarHBondContact CB-OE1 3.35Å; S18-E50 PolarHBondContact N-OE1 3.38Å
19L92.4Very high77.3Confident61 Ų61106.7 Ų106.732%0.31955%0.549SS..SBendtrans-74139.6-179.9-64.1178000112.7I17 L21 I24 T49 E50I17-L19 HydrophobicContact CG2-CB 4.34Å; I17-L19 VanDerWaalsContact CG2-O 3.29Å; I17-L19 WeakPolarHBondContact CG2-O 3.13Å; L19-L21 PolarHBondContact O-N 3.09Å; L19-L21 VanDerWaalsContact O-N 3.16Å; L19-I24 HydrophobicContact CB-CD1 3.62Å; L19-I24 HydrophobicContact CB-CG1 4.46Å; L19-I24 HydrophobicContact CD1-CD1 4.34Å; L19-T49 HydrophobicContact CD1-CG2 3.7Å; L19-E50 HydrophobicContact CD1-CG 3.7Å; L19-E50 HydrophobicContact CG-CG 3.72Å; L19-E50 PolarHBondContact N-OE1 3.26Å; L19-E50 VanDerWaalsContact N-OE1 3.08Å
20P95.1Very high79.9Confident79 Ų79103.8 Ų103.851%0.51354%0.541SS..  trans-68.2114.6178.925.2-31.7000111.6S22 R23 I24P20-S22 PolarHBondContact O-N 3.25Å; P20-R23 HydrophobicContact CB-CB 4.44Å; P20-R23 HydrophobicContact CG-CB 3.96Å; P20-R23 WeakPolarHBondContact O-CB 3.42Å; P20-R23 PolarHBondContact O-N 2.97Å; P20-I24 PolarHBondContact O-N 3.29Å
21L95Very high82.5Confident53 Ų5397.2 Ų97.228%0.27752%0.519SS..Hα-helixtrans-57.7-32.5-177.9-64.8-172.5000113.8I17 L19 R23 I24 R25 L42 V43 A46I17-L21 HydrophobicContact CD1-CD2 3.92Å; I17-L21 HydrophobicContact CG2-CD2 4.02Å; L19-L21 PolarHBondContact O-N 3.09Å; L19-L21 VanDerWaalsContact O-N 3.16Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 2.89Å; L21-I24 HydrophobicContact CD2-CD1 4.3Å; L21-I24 PolarHBondContact O-N 3.27Å; L21-R25 WeakPolarHBondContact O-CB 3.43Å; L21-R25 PolarHBondContact O-N 2.95Å; L21-L42 HydrophobicContact CB-CD2 4.15Å; L21-L42 HydrophobicContact CB-CG 4.48Å; L21-L42 HydrophobicContact CD2-CG 4.29Å; L21-V43 HydrophobicContact CD1-CG2 4.42Å; L21-A46 HydrophobicContact CD2-CB 3.71Å
22S96Very high85.2Confident88 Ų8897.3 Ų97.362%0.61552%0.518SS*.Hα-helixtrans-60.9-42176.154.30000111.8P20 R25 V26P20-S22 PolarHBondContact O-N 3.25Å; S22-R25 PolarHBondContact O-N 3.44Å; S22-V26 WeakPolarHBondContact O-CG2 3.32Å; S22-V26 PolarHBondContact O-N 3.09Å; S22-V26 VanDerWaalsContact O-N 3.13Å
23R97.2Very high87.8Confident156 Ų156102.9 Ų102.959%0.58953%0.531SS*.Hα-helixtrans-69.7-42.2179.3-17057161.8145.8-3.5111.5P20 L21 R25 V26 I27P20-R23 HydrophobicContact CB-CB 4.44Å; P20-R23 HydrophobicContact CG-CB 3.96Å; P20-R23 WeakPolarHBondContact O-CB 3.42Å; P20-R23 PolarHBondContact O-N 2.97Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 2.89Å; R23-R25 VanDerWaalsContact C-N 3.32Å; R23-R25 PolarHBondContact O-N 3.34Å; R23-V26 PolarHBondContact O-N 2.92Å; R23-I27 HydrophobicContact CG-CD1 4.19Å; R23-I27 WeakPolarHBondContact O-CG1 3.26Å; R23-I27 PolarHBondContact O-N 3.29Å
24I97Very high90.3Very high13 Ų1396.4 Ų96.47%0.06750%0.504CS..Hα-helixtrans-61.2-44.6176-64.1160.6000110.1L19 P20 L21 V26 I27 M28 L42 T45 A46L19-I24 HydrophobicContact CB-CD1 3.62Å; L19-I24 HydrophobicContact CB-CG1 4.46Å; L19-I24 HydrophobicContact CD1-CD1 4.34Å; P20-I24 PolarHBondContact O-N 3.29Å; L21-I24 HydrophobicContact CD2-CD1 4.3Å; L21-I24 PolarHBondContact O-N 3.27Å; I24-V26 VanDerWaalsContact C-N 3.31Å; I24-V26 PolarHBondContact O-N 3Å; I24-I27 PolarHBondContact O-N 3.09Å; I24-I27 VanDerWaalsContact O-N 3.16Å; I24-M28 HydrophobicContact CG2-CG 4.22Å; I24-M28 HydrophobicContact CG2-SD 3.92Å; I24-M28 WeakPolarHBondContact O-CG 3.36Å; I24-M28 PolarHBondContact O-N 2.75Å; I24-L42 HydrophobicContact CB-CD1 3.99Å; I24-L42 HydrophobicContact CG2-CD1 3.65Å; I24-T45 HydrophobicContact CG2-CG2 4.12Å; I24-A46 HydrophobicContact CD1-CB 3.32Å
25R96.6Very high92Very high81 Ų8193.3 Ų93.331%0.30650%0.501SS..Hα-helixtrans-58.9-41.5177.2-170.2-174.8-66.4-907.6112L21 S22 R23 M28 K29 I37 L42L21-R25 WeakPolarHBondContact O-CB 3.43Å; L21-R25 PolarHBondContact O-N 2.95Å; S22-R25 PolarHBondContact O-N 3.44Å; R23-R25 VanDerWaalsContact C-N 3.32Å; R23-R25 PolarHBondContact O-N 3.34Å; R25-M28 PolarHBondContact O-N 2.92Å; R25-K29 WeakPolarHBondContact O-CB 3.43Å; R25-K29 WeakPolarHBondContact O-CG 3.46Å; R25-K29 PolarHBondContact O-N 2.98Å; R25-I37 HydrophobicContact CG-CD1 4.01Å; R25-I37 PolarHBondContact NH1-O 3.36Å; R25-L42 HydrophobicContact CB-CD1 3.99Å; R25-L42 HydrophobicContact CB-CD2 4.24Å; R25-L42 VanDerWaalsContact CZ-CD2 3.45Å
26V97.4Very high93.5Very high87 Ų8788 Ų8853%0.52750%0.496SS..Hα-helixtrans-63.2-44.1176.3169.40000111.3S22 R23 I24 K29 S30S22-V26 WeakPolarHBondContact O-CG2 3.32Å; S22-V26 PolarHBondContact O-N 3.09Å; S22-V26 VanDerWaalsContact O-N 3.13Å; R23-V26 PolarHBondContact O-N 2.92Å; I24-V26 VanDerWaalsContact C-N 3.31Å; I24-V26 PolarHBondContact O-N 3Å; V26-K29 PolarHBondContact O-N 3.36Å; V26-S30 PolarHBondContact O-N 2.9Å; V26-S30 VanDerWaalsContact O-N 3.13Å
27I97.1Very high94.6Very high98 Ų9881.7 Ų81.750%0.50346%0.463SS..Hα-helixtrans-64.8-44.5177.9-65.9164000110.7R23 I24 K29 S30R23-I27 HydrophobicContact CG-CD1 4.19Å; R23-I27 WeakPolarHBondContact O-CG1 3.26Å; R23-I27 PolarHBondContact O-N 3.29Å; I24-I27 PolarHBondContact O-N 3.09Å; I24-I27 VanDerWaalsContact O-N 3.16Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.47Å; I27-S30 PolarHBondContact O-N 3.43Å; I27-S30 VanDerWaalsContact O-N 3.1Å; I27-S30 PolarHBondContact O-OG 2.94Å
28M97.3Very high95.2Very high42 Ų4285.1 Ų85.121%0.20748%0.482CS..Hα-helixtrans-60-38.9176.6-70175.777.600111.9I24 R25 S30 V34 I37 L42 T45I24-M28 HydrophobicContact CG2-CG 4.22Å; I24-M28 HydrophobicContact CG2-SD 3.92Å; I24-M28 WeakPolarHBondContact O-CG 3.36Å; I24-M28 PolarHBondContact O-N 2.75Å; R25-M28 PolarHBondContact O-N 2.92Å; M28-S30 VanDerWaalsContact C-N 3.3Å; M28-S30 PolarHBondContact O-N 3.5Å; M28-V34 WeakPolarHBondContact O-CB 3.4Å; M28-I37 HydrophobicContact CB-CD1 3.42Å; M28-I37 VanDerWaalsContact CB-CD1 3.42Å; M28-I37 HydrophobicContact CB-CG1 4.44Å; M28-I37 HydrophobicContact CE-CD1 4.3Å; M28-I37 HydrophobicContact CE-CG1 4.32Å; M28-I37 HydrophobicContact CE-CG2 3.65Å; M28-I37 HydrophobicContact CG-CD1 4.41Å; M28-I37 HydrophobicContact SD-CD1 4.21Å; M28-I37 HydrophobicContact SD-CG2 4.08Å; M28-L42 HydrophobicContact SD-CD1 3.8Å; M28-T45 HydrophobicContact CE-CG2 4.44Å; M28-T45 HydrophobicContact CG-CG2 4.31Å; M28-T45 HydrophobicContact SD-CG2 3.99Å
29K96.6Very high95.4Very high114 Ų11484.7 Ų84.750%0.49647%0.469SS..THydrogen-bonded Turntrans-76.7-7.6177.1-74.6-164.9170.7-162.60114.9R25 V26 I27 S31 I37R25-K29 WeakPolarHBondContact O-CB 3.43Å; R25-K29 WeakPolarHBondContact O-CG 3.46Å; R25-K29 PolarHBondContact O-N 2.98Å; V26-K29 PolarHBondContact O-N 3.36Å; I27-K29 VanDerWaalsContact C-N 3.27Å; I27-K29 PolarHBondContact O-N 3.47Å; K29-S31 PolarHBondContact O-N 3.14Å; K29-I37 HydrophobicContact CG-CD1 3.62Å
30S96.3Very high95.5Very high95 Ų9588.9 Ų88.966%0.66449%0.487SS*.THydrogen-bonded Turntrans-74.5-14.1174.4730000112.3V26 I27 M28V26-S30 PolarHBondContact O-N 2.9Å; V26-S30 VanDerWaalsContact O-N 3.13Å; I27-S30 PolarHBondContact O-N 3.43Å; I27-S30 VanDerWaalsContact O-N 3.1Å; I27-S30 PolarHBondContact O-OG 2.94Å; M28-S30 VanDerWaalsContact C-N 3.3Å; M28-S30 PolarHBondContact O-N 3.5Å
31S94.9Very high95.6Very high52 Ų5287.1 Ų87.136%0.36448%0.479SS..SBendtrans-76.5127.3169.8-177.50000110K29 E33 V34K29-S31 PolarHBondContact O-N 3.14Å; S31-E33 PolarHBondContact O-N 3.3Å; S31-E33 VanDerWaalsContact O-N 3.15Å; S31-V34 PolarHBondContact O-N 3.29Å; S31-V34 VanDerWaalsContact O-N 3.12Å
32P93.7Very high95.6Very high124 Ų12484.6 Ų84.681%0.80547%0.465SS*.THydrogen-bonded Turntrans-61.3-24.2-178.424.8-33.6000113.1V34P32-V34 VanDerWaalsContact C-N 3.3Å; P32-V34 PolarHBondContact O-N 3.13Å
33E94.3Very high95.6Very high167 Ų16783.1 Ų83.178%0.7845%0.453SS*.THydrogen-bonded Turntrans-80.4-6.7-179.4-56.2-55.1143.600113.7S31S31-E33 PolarHBondContact O-N 3.3Å; S31-E33 VanDerWaalsContact O-N 3.15Å
34V94.1Very high95.6Very high50 Ų5081.7 Ų81.730%0.30346%0.456SS..  trans-104.795.5-173.6-179.50000111M28 S31 P32 I37M28-V34 WeakPolarHBondContact O-CB 3.4Å; S31-V34 PolarHBondContact O-N 3.29Å; S31-V34 VanDerWaalsContact O-N 3.12Å; P32-V34 VanDerWaalsContact C-N 3.3Å; P32-V34 PolarHBondContact O-N 3.13Å; V34-I37 HydrophobicContact CG1-CD1 3.96Å; V34-I37 HydrophobicContact CG1-CG1 3.6Å
35S90.6Very high95.5Very high107 Ų10783.5 Ų83.575%0.74847%0.468SS*.  trans-81.2-45.2178.661.90000113.4
36S94.3Very high95.5Very high98 Ų9879.6 Ų79.669%0.68545%0.453SS*.  trans-138.5153.9-178.169.90000111.2
37I96.5Very high95.5Very high21 Ų2179.5 Ų79.511%0.10845%0.445CS..  trans-134.9117.5-175.7-58164.1000108.6R25 M28 K29 V34 L42R25-I37 HydrophobicContact CG-CD1 4.01Å; R25-I37 PolarHBondContact NH1-O 3.36Å; M28-I37 HydrophobicContact CB-CD1 3.42Å; M28-I37 VanDerWaalsContact CB-CD1 3.42Å; M28-I37 HydrophobicContact CB-CG1 4.44Å; M28-I37 HydrophobicContact CE-CD1 4.3Å; M28-I37 HydrophobicContact CE-CG1 4.32Å; M28-I37 HydrophobicContact CE-CG2 3.65Å; M28-I37 HydrophobicContact CG-CD1 4.41Å; M28-I37 HydrophobicContact SD-CD1 4.21Å; M28-I37 HydrophobicContact SD-CG2 4.08Å; K29-I37 HydrophobicContact CG-CD1 3.62Å; V34-I37 HydrophobicContact CG1-CD1 3.96Å; V34-I37 HydrophobicContact CG1-CG1 3.6Å; I37-L42 HydrophobicContact CG2-CB 4.05Å
38N96.3Very high95.5Very high100 Ų10077.3 Ų77.354%0.53544%0.442SS..  trans-64.3147.7171.8-174.713.1000110.9E40 A41 L42N38-E40 VanDerWaalsContact C-N 3.33Å; N38-E40 PolarHBondContact O-N 3.27Å; N38-A41 HydrophobicContact CB-CB 4.34Å; N38-A41 PolarHBondContact O-N 3.44Å; N38-L42 PolarHBondContact O-N 3.4Å
39Q95.2Very high95.5Very high92 Ų9277.7 Ų77.743%0.4345%0.447SS..Hα-helixtrans-61.9-38.9179.4-173.857.633.300112.5L42 V43Q39-L42 WeakPolarHBondContact O-CB 3.43Å; Q39-L42 PolarHBondContact O-N 3.48Å; Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.48Å; Q39-V43 PolarHBondContact O-N 3.42Å
40E94.8Very high95.4Very high150 Ų15073.5 Ų73.570%0.70143%0.429SS*.Hα-helixtrans-65.7-43.6177.6-64.3-178.1158.700112N38 L42 V43 L44N38-E40 VanDerWaalsContact C-N 3.33Å; N38-E40 PolarHBondContact O-N 3.27Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.07Å; E40-V43 PolarHBondContact O-N 2.86Å; E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 PolarHBondContact O-N 3.16Å
41A95.9Very high95.4Very high41 Ų4173.5 Ų73.534%0.33942%0.421SS..Hα-helixtrans-60.5-42.3175.200000111.1N38 V43 L44 T45N38-A41 HydrophobicContact CB-CB 4.34Å; N38-A41 PolarHBondContact O-N 3.44Å; A41-V43 PolarHBondContact O-N 3.47Å; A41-L44 PolarHBondContact O-N 2.63Å; A41-T45 WeakPolarHBondContact O-CB 3.48Å; A41-T45 PolarHBondContact O-N 3.47Å; A41-T45 PolarHBondContact O-OG1 3.47Å
42L96.1Very high95.6Very high0 Ų074.4 Ų74.40%042%0.418CS..Hα-helixtrans-60.7-45.5176.7178.361.6000112.3L21 I24 R25 M28 I37 N38 Q39 E40 A46L21-L42 HydrophobicContact CB-CD2 4.15Å; L21-L42 HydrophobicContact CB-CG 4.48Å; L21-L42 HydrophobicContact CD2-CG 4.29Å; I24-L42 HydrophobicContact CB-CD1 3.99Å; I24-L42 HydrophobicContact CG2-CD1 3.65Å; R25-L42 HydrophobicContact CB-CD1 3.99Å; R25-L42 HydrophobicContact CB-CD2 4.24Å; R25-L42 VanDerWaalsContact CZ-CD2 3.45Å; M28-L42 HydrophobicContact SD-CD1 3.8Å; I37-L42 HydrophobicContact CG2-CB 4.05Å; N38-L42 PolarHBondContact O-N 3.4Å; Q39-L42 WeakPolarHBondContact O-CB 3.43Å; Q39-L42 PolarHBondContact O-N 3.48Å; E40-L42 VanDerWaalsContact C-N 3.31Å; E40-L42 PolarHBondContact O-N 3.07Å; L42-A46 WeakPolarHBondContact O-CB 3.49Å; L42-A46 PolarHBondContact O-N 3.08Å
43V95.5Very high95.7Very high58 Ų5872.7 Ų72.735%0.35241%0.405SS..Hα-helixtrans-64.2-44.2178166.10000110.5I17 L21 Q39 E40 A41 A46 K47I17-V43 HydrophobicContact CD1-CB 3.86Å; I17-V43 HydrophobicContact CD1-CG1 3.5Å; I17-V43 HydrophobicContact CD1-CG2 4.02Å; I17-V43 WeakPolarHBondContact CD1-O 3.29Å; L21-V43 HydrophobicContact CD1-CG2 4.42Å; Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.48Å; Q39-V43 PolarHBondContact O-N 3.42Å; E40-V43 PolarHBondContact O-N 2.86Å; A41-V43 PolarHBondContact O-N 3.47Å; V43-A46 WeakPolarHBondContact O-CB 3.45Å; V43-A46 PolarHBondContact O-N 3.43Å; V43-K47 PolarHBondContact O-N 3.48Å; V43-K47 VanDerWaalsContact O-N 3.07Å
44L96.3Very high95.8Very high126 Ų12670.3 Ų70.366%0.6640%0.395SS*.Hα-helixtrans-63-48.3177.6-178.262.7000111.8E40 A41 A46 K47 A48E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 PolarHBondContact O-N 3.16Å; A41-L44 PolarHBondContact O-N 2.63Å; L44-A46 VanDerWaalsContact C-N 3.27Å; L44-A46 PolarHBondContact O-N 3.4Å; L44-K47 PolarHBondContact O-N 3.36Å; L44-K47 VanDerWaalsContact O-N 3.16Å; L44-A48 WeakPolarHBondContact O-CB 3.36Å; L44-A48 PolarHBondContact O-N 3.39Å
45T96.3Very high96Very high50 Ų5071.1 Ų71.131%0.30740%0.402SS..Hα-helixtrans-60.1-39.4177.1-60.40000111.3I24 M28 A41 K47 A48 T49I24-T45 HydrophobicContact CG2-CG2 4.12Å; M28-T45 HydrophobicContact CE-CG2 4.44Å; M28-T45 HydrophobicContact CG-CG2 4.31Å; M28-T45 HydrophobicContact SD-CG2 3.99Å; A41-T45 WeakPolarHBondContact O-CB 3.48Å; A41-T45 PolarHBondContact O-N 3.47Å; A41-T45 PolarHBondContact O-OG1 3.47Å; T45-K47 PolarHBondContact O-N 3.38Å; T45-A48 PolarHBondContact O-N 3.15Å; T45-T49 WeakPolarHBondContact O-CB 3.41Å; T45-T49 PolarHBondContact O-N 3.3Å; T45-T49 PolarHBondContact O-OG1 2.9Å
46A96.8Very high96.3Very high0 Ų067.1 Ų67.10%037%0.372CS..Hα-helixtrans-58.5-49.3174.800000111.7I17 L21 I24 L42 V43 L44 T49 E50I17-A46 HydrophobicContact CB-CB 4.49Å; I17-A46 HydrophobicContact CD1-CB 3.76Å; I17-A46 HydrophobicContact CG1-CB 4.17Å; I17-A46 HydrophobicContact CG2-CB 3.54Å; L21-A46 HydrophobicContact CD2-CB 3.71Å; I24-A46 HydrophobicContact CD1-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.49Å; L42-A46 PolarHBondContact O-N 3.08Å; V43-A46 WeakPolarHBondContact O-CB 3.45Å; V43-A46 PolarHBondContact O-N 3.43Å; L44-A46 VanDerWaalsContact C-N 3.27Å; L44-A46 PolarHBondContact O-N 3.4Å; A46-T49 PolarHBondContact O-N 2.79Å; A46-E50 PolarHBondContact O-N 3.43Å; A46-E50 VanDerWaalsContact O-N 3.15Å
47K96.1Very high96.5Very high84 Ų8464 Ų6437%0.36535%0.352SS..Hα-helixtrans-65.4-42.3179.8-166.872.9-154.7161.50112.1L16 V43 L44 T45 T49 E50 L51L16-K47 WeakPolarHBondContact O-CD 3.32Å; L16-K47 PolarHBondContact O-NZ 2.85Å; V43-K47 PolarHBondContact O-N 3.48Å; V43-K47 VanDerWaalsContact O-N 3.07Å; L44-K47 PolarHBondContact O-N 3.36Å; L44-K47 VanDerWaalsContact O-N 3.16Å; T45-K47 PolarHBondContact O-N 3.38Å; K47-T49 VanDerWaalsContact C-N 3.28Å; K47-T49 PolarHBondContact O-N 2.99Å; K47-E50 IonicContact NZ-OE2 2.81Å; K47-E50 PolarHBondContact NZ-OE2 3.11Å; K47-E50 PolarHBondContact O-N 3.32Å; K47-L51 HydrophobicContact CG-CD1 4.47Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 3.47Å; K47-L51 VanDerWaalsContact O-N 3.08Å
48A96.8Very high96.5Very high52 Ų5266.7 Ų66.743%0.4337%0.37SS..Hα-helixtrans-60.4-39.5175.800000111.4L44 T45 E50 L51 F52L44-A48 WeakPolarHBondContact O-CB 3.36Å; L44-A48 PolarHBondContact O-N 3.39Å; T45-A48 PolarHBondContact O-N 3.15Å; A48-E50 PolarHBondContact O-N 2.83Å; A48-L51 PolarHBondContact O-N 2.92Å; A48-F52 WeakPolarHBondContact O-CB 3.43Å; A48-F52 PolarHBondContact O-N 2.78Å
49T97.2Very high96.5Very high51 Ų5165.9 Ų65.931%0.31336%0.36SS..Hα-helixtrans-64.6-40.7177.8-54.70000111.6L19 T45 A46 K47 F52 V53L19-T49 HydrophobicContact CD1-CG2 3.7Å; T45-T49 WeakPolarHBondContact O-CB 3.41Å; T45-T49 PolarHBondContact O-N 3.3Å; T45-T49 PolarHBondContact O-OG1 2.9Å; A46-T49 PolarHBondContact O-N 2.79Å; K47-T49 VanDerWaalsContact C-N 3.28Å; K47-T49 PolarHBondContact O-N 2.99Å; T49-F52 PolarHBondContact O-N 3.22Å; T49-V53 WeakPolarHBondContact O-CG2 3.17Å; T49-V53 PolarHBondContact O-N 3.43Å
50E95.9Very high96.6Very high26 Ų2661.5 Ų61.512%0.12134%0.339CS..Hα-helixtrans-61.9-48.9175-69.3173.6-176.900112.1S18 L19 A46 K47 A48 F52 V53 Q54S18-E50 WeakPolarHBondContact CA-OE1 3.49Å; S18-E50 WeakPolarHBondContact CB-OE1 3.35Å; S18-E50 PolarHBondContact N-OE1 3.38Å; L19-E50 HydrophobicContact CD1-CG 3.7Å; L19-E50 HydrophobicContact CG-CG 3.72Å; L19-E50 PolarHBondContact N-OE1 3.26Å; L19-E50 VanDerWaalsContact N-OE1 3.08Å; A46-E50 PolarHBondContact O-N 3.43Å; A46-E50 VanDerWaalsContact O-N 3.15Å; K47-E50 IonicContact NZ-OE2 2.81Å; K47-E50 PolarHBondContact NZ-OE2 3.11Å; K47-E50 PolarHBondContact O-N 3.32Å; A48-E50 PolarHBondContact O-N 2.83Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 2.91Å; E50-V53 PolarHBondContact O-N 3.44Å; E50-Q54 WeakPolarHBondContact O-CG 3.39Å; E50-Q54 PolarHBondContact O-N 3.22Å; E50-Q54 VanDerWaalsContact O-N 3.08Å
51L96.5Very high96.7Very high95 Ų9558.1 Ų58.150%0.49732%0.32SS..Hα-helixtrans-63.5-37.4178.4-67.8175000111.1K47 A48 Q54 C55K47-L51 HydrophobicContact CG-CD1 4.47Å; K47-L51 WeakPolarHBondContact O-CG 3.49Å; K47-L51 PolarHBondContact O-N 3.47Å; K47-L51 VanDerWaalsContact O-N 3.08Å; A48-L51 PolarHBondContact O-N 2.92Å; L51-Q54 PolarHBondContact O-N 2.97Å; L51-C55 WeakPolarHBondContact O-CB 3.49Å; L51-C55 PolarHBondContact O-N 2.9Å
52F97.5Very high96.6Very high70 Ų7064.3 Ų64.331%0.30734%0.335SS..Hα-helixtrans-62-48.2176.2174.4-100.6000111.9A48 T49 E50 Q54 C55 L56 F87 F89 L90A48-F52 WeakPolarHBondContact O-CB 3.43Å; A48-F52 PolarHBondContact O-N 2.78Å; T49-F52 PolarHBondContact O-N 3.22Å; E50-F52 VanDerWaalsContact C-N 3.27Å; E50-F52 PolarHBondContact O-N 2.91Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; F52-Q54 PolarHBondContact O-N 3.38Å; F52-C55 PolarHBondContact O-N 2.79Å; F52-L56 HydrophobicContact CE1-CD2 4.43Å; F52-L56 HydrophobicContact CZ-CD2 4.49Å; F52-L56 WeakPolarHBondContact O-CB 3.35Å; F52-L56 PolarHBondContact O-N 3.24Å; F52-F87 HydrophobicContact CE2-CD1 4.11Å; F52-F87 AromaticContact CE2-CE1 3.98Å; F52-F87 HydrophobicContact CE2-CE1 3.98Å; F52-F89 HydrophobicContact CE1-CZ 4.39Å; F52-F89 AromaticContact CE2-CE1 3.95Å; F52-F89 HydrophobicContact CE2-CE1 3.95Å; F52-F89 AromaticContact CE2-CZ 3.66Å; F52-F89 HydrophobicContact CE2-CZ 3.66Å; F52-F89 HydrophobicContact CZ-CE1 4.06Å; F52-F89 HydrophobicContact CZ-CE2 4.44Å; F52-F89 AromaticContact CZ-CZ 3.43Å; F52-F89 HydrophobicContact CZ-CZ 3.43Å; F52-F89 VanDerWaalsContact CZ-CZ 3.43Å; F52-L90 HydrophobicContact CZ-CD1 4.03Å
53V96.8Very high96.5Very high88 Ų8870 Ų7053%0.53336%0.362SS..Hα-helixtrans-60.9-43.3177.6171.50000110.9T49 E50 A57T49-V53 WeakPolarHBondContact O-CG2 3.17Å; T49-V53 PolarHBondContact O-N 3.43Å; E50-V53 PolarHBondContact O-N 3.44Å; V53-A57 WeakPolarHBondContact O-CB 3.48Å; V53-A57 PolarHBondContact O-N 3.28Å
54Q96.9Very high96.2Very high118 Ų11868.5 Ų68.555%0.55136%0.357SS*.Hα-helixtrans-63-42.7175.8-71.8177.7-11.800112.1E50 L51 F52 T58E50-Q54 WeakPolarHBondContact O-CG 3.39Å; E50-Q54 PolarHBondContact O-N 3.22Å; E50-Q54 VanDerWaalsContact O-N 3.08Å; L51-Q54 PolarHBondContact O-N 2.97Å; F52-Q54 VanDerWaalsContact C-N 3.32Å; F52-Q54 PolarHBondContact O-N 3.38Å; Q54-T58 VanDerWaalsContact O-CB 3.22Å; Q54-T58 WeakPolarHBondContact O-CB 3.11Å; Q54-T58 PolarHBondContact O-N 3.46Å; Q54-T58 PolarHBondContact O-OG1 2.91Å
55C97.4Very high95.9Very high67 Ų6763.7 Ų63.745%0.45333%0.334SS..Hα-helixtrans-63.1-52179.2-173.80000110.9L51 F52 A57 T58 Y59L51-C55 WeakPolarHBondContact O-CB 3.49Å; L51-C55 PolarHBondContact O-N 2.9Å; F52-C55 PolarHBondContact O-N 2.79Å; C55-A57 PolarHBondContact O-N 3.48Å; C55-T58 PolarHBondContact O-N 3.04Å; C55-Y59 WeakPolarHBondContact O-CB 3.25Å; C55-Y59 PolarHBondContact O-N 2.97Å
56L97.7Very high95.4Very high22 Ų2261.3 Ų61.312%0.11532%0.32CS..Hα-helixtrans-56.8-51.9177.7177.463.5000110.9F52 T58 Y59 S60 L77 T80 F87 L90F52-L56 HydrophobicContact CE1-CD2 4.43Å; F52-L56 HydrophobicContact CZ-CD2 4.49Å; F52-L56 WeakPolarHBondContact O-CB 3.35Å; F52-L56 PolarHBondContact O-N 3.24Å; L56-T58 PolarHBondContact O-N 3.18Å; L56-Y59 PolarHBondContact O-N 3.04Å; L56-S60 WeakPolarHBondContact O-CB 3.47Å; L56-S60 PolarHBondContact O-N 2.74Å; L56-S60 PolarHBondContact O-OG 2.96Å; L56-S60 VanDerWaalsContact O-OG 3.04Å; L56-L77 HydrophobicContact CD1-CD2 4.32Å; L56-L77 HydrophobicContact CD2-CD2 4.22Å; L56-L77 HydrophobicContact CG-CD2 3.9Å; L56-T80 HydrophobicContact CD1-CG2 4.15Å; L56-F87 HydrophobicContact CB-CE1 4.16Å; L56-F87 HydrophobicContact CD1-CD1 3.82Å; L56-F87 HydrophobicContact CD1-CE1 3.98Å; L56-F87 HydrophobicContact CD1-CG 4.14Å; L56-F87 HydrophobicContact CD1-CZ 4.43Å; L56-L90 HydrophobicContact CD1-CD1 4.09Å; L56-L90 HydrophobicContact CD2-CD1 3.87Å
57A97.2Very high94.8Very high34 Ų3468.8 Ų68.828%0.28135%0.352SS..Hα-helixtrans-60.7-44.1-179.200000112.2V53 C55 Y61 L72V53-A57 WeakPolarHBondContact O-CB 3.48Å; V53-A57 PolarHBondContact O-N 3.28Å; C55-A57 PolarHBondContact O-N 3.48Å; A57-Y61 WeakPolarHBondContact O-CB 3.32Å; A57-Y61 PolarHBondContact O-N 2.93Å; A57-L72 HydrophobicContact CB-CD2 4.04Å
58T96.8Very high94.6Very high77 Ų7772.8 Ų72.847%0.47237%0.372SS..Hα-helixtrans-68-43.1179.8-58.30000111.4Q54 C55 L56 Y61 R62Q54-T58 VanDerWaalsContact O-CB 3.22Å; Q54-T58 WeakPolarHBondContact O-CB 3.11Å; Q54-T58 PolarHBondContact O-N 3.46Å; Q54-T58 PolarHBondContact O-OG1 2.91Å; C55-T58 PolarHBondContact O-N 3.04Å; L56-T58 PolarHBondContact O-N 3.18Å; T58-Y61 PolarHBondContact O-N 2.96Å; T58-R62 HydrophobicContact CG2-CG 4.4Å; T58-R62 WeakPolarHBondContact O-CB 3.35Å; T58-R62 WeakPolarHBondContact O-CG 3.48Å; T58-R62 PolarHBondContact O-N 3.33Å
59Y96.7Very high94.5Very high83 Ų8376.6 Ų76.633%0.32538%0.379SS..Hα-helixtrans-63.8-50.7179.3-170.3-80000110.5C55 L56 Y61 R62 H63 T80 F87C55-Y59 WeakPolarHBondContact O-CB 3.25Å; C55-Y59 PolarHBondContact O-N 2.97Å; L56-Y59 PolarHBondContact O-N 3.04Å; Y59-Y61 VanDerWaalsContact C-N 3.31Å; Y59-Y61 PolarHBondContact O-N 3.21Å; Y59-R62 PolarHBondContact O-N 3.06Å; Y59-H63 HydrophobicContact CD1-CB 4.45Å; Y59-H63 AromaticContact CD1-ND1 3.52Å; Y59-H63 AromaticContact CD2-CE1 3.51Å; Y59-H63 AromaticContact CD2-ND1 3.67Å; Y59-H63 HydrophobicContact CE1-CB 4.2Å; Y59-H63 AromaticContact CE1-CG 3.87Å; Y59-H63 AromaticContact CE1-ND1 3.57Å; Y59-H63 AromaticContact CE2-CE1 3.39Å; Y59-H63 WeakPolarHBondContact CE2-CE1 3.35Å; Y59-H63 AromaticContact CE2-ND1 3.71Å; Y59-H63 AromaticContact CG-CE1 3.92Å; Y59-H63 AromaticContact CG-ND1 3.58Å; Y59-H63 AromaticContact CZ-CE1 3.7Å; Y59-H63 AromaticContact CZ-ND1 3.67Å; Y59-H63 PolarHBondContact O-N 3.34Å; Y59-H63 PolarHBondContact O-ND1 2.75Å; Y59-T80 HydrophobicContact CD1-CG2 3.5Å; Y59-T80 HydrophobicContact CE1-CG2 3.91Å; Y59-F87 HydrophobicContact CD1-CD2 4.28Å; Y59-F87 AromaticContact CD1-CE2 3.78Å; Y59-F87 HydrophobicContact CD1-CE2 3.78Å; Y59-F87 HydrophobicContact CD2-CE2 4.07Å; Y59-F87 HydrophobicContact CE1-CE2 4.27Å; Y59-F87 AromaticContact CG-CE2 3.66Å; Y59-F87 HydrophobicContact CG-CE2 3.66Å; Y59-F87 HydrophobicContact CG-CZ 4.37Å
60S96.8Very high94.4Very high0 Ų082.4 Ų82.40%040%0.4CS..Hα-helixtrans-61.6-37.9178.1-60.90000112.6L56 G64 T80L56-S60 WeakPolarHBondContact O-CB 3.47Å; L56-S60 PolarHBondContact O-N 2.74Å; L56-S60 PolarHBondContact O-OG 2.96Å; L56-S60 VanDerWaalsContact O-OG 3.04Å; S60-G64 WeakPolarHBondContact O-CA 2.84Å; S60-G64 PolarHBondContact O-N 3.04Å; S60-T80 VanDerWaalsContact CA-OG1 3.26Å; S60-T80 WeakPolarHBondContact CA-OG1 3.43Å; S60-T80 VanDerWaalsContact CB-OG1 3.29Å; S60-T80 WeakPolarHBondContact CB-OG1 3.46Å; S60-T80 WeakPolarHBondContact OG-CB 3.45Å; S60-T80 WeakPolarHBondContact OG-CG2 3.41Å; S60-T80 PolarHBondContact OG-OG1 2.8Å
61Y96.9Very high94.4Very high78 Ų7885.1 Ų85.131%0.30642%0.418SS..Hα-helixtrans-65.6-39176.5-179-95.5000112.6A57 T58 Y59 G66 K67 L72A57-Y61 WeakPolarHBondContact O-CB 3.32Å; A57-Y61 PolarHBondContact O-N 2.93Å; T58-Y61 PolarHBondContact O-N 2.96Å; Y59-Y61 VanDerWaalsContact C-N 3.31Å; Y59-Y61 PolarHBondContact O-N 3.21Å; Y61-G66 WeakPolarHBondContact CE2-O 3.36Å; Y61-G66 VanDerWaalsContact CZ-O 3.28Å; Y61-G66 CarbonylContact O-C 3.54Å; Y61-G66 WeakPolarHBondContact O-CA 3.19Å; Y61-G66 PolarHBondContact OH-O 3.08Å; Y61-K67 PolarHBondContact O-N 3.24Å; Y61-L72 HydrophobicContact CD2-CB 4.19Å
62R95Very high94.4Very high171 Ų17183.7 Ų83.765%0.64541%0.411SS*.Hα-helixtrans-79.1-35.6-176-71.717371.1110.21.2113.7T58 Y59T58-R62 HydrophobicContact CG2-CG 4.4Å; T58-R62 WeakPolarHBondContact O-CB 3.35Å; T58-R62 WeakPolarHBondContact O-CG 3.48Å; T58-R62 PolarHBondContact O-N 3.33Å; Y59-R62 PolarHBondContact O-N 3.06Å
63H92.8Very high94.3Very high121 Ų12182.7 Ų82.756%0.5641%0.41SS*.Hα-helixtrans-99.9-18.7-175.8-58.689.6000112.9Y59Y59-H63 HydrophobicContact CD1-CB 4.45Å; Y59-H63 AromaticContact CD1-ND1 3.52Å; Y59-H63 AromaticContact CD2-CE1 3.51Å; Y59-H63 AromaticContact CD2-ND1 3.67Å; Y59-H63 HydrophobicContact CE1-CB 4.2Å; Y59-H63 AromaticContact CE1-CG 3.87Å; Y59-H63 AromaticContact CE1-ND1 3.57Å; Y59-H63 AromaticContact CE2-CE1 3.39Å; Y59-H63 WeakPolarHBondContact CE2-CE1 3.35Å; Y59-H63 AromaticContact CE2-ND1 3.71Å; Y59-H63 AromaticContact CG-CE1 3.92Å; Y59-H63 AromaticContact CG-ND1 3.58Å; Y59-H63 AromaticContact CZ-CE1 3.7Å; Y59-H63 AromaticContact CZ-ND1 3.67Å; Y59-H63 PolarHBondContact O-N 3.34Å; Y59-H63 PolarHBondContact O-ND1 2.75Å
64G90.1Very high94.2Very high25 Ų2582.3 Ų82.326%0.25840%0.4SS..SBendtrans-86.5-163.716900000112.9S60 G66S60-G64 WeakPolarHBondContact O-CA 2.84Å; S60-G64 PolarHBondContact O-N 3.04Å; G64-G66 PolarHBondContact O-N 3.16Å
65S89.6Confident94.1Very high26 Ų2679.8 Ų79.818%0.18240%0.395CS..THydrogen-bonded Turntrans-771.5177.865.60000113.9K67 E68 K69 D76S65-K67 PolarHBondContact O-N 3.09Å; S65-E68 PolarHBondContact O-N 3.32Å; S65-K69 WeakPolarHBondContact O-CB 3.29Å; S65-K69 WeakPolarHBondContact O-CG 3.35Å; S65-K69 PolarHBondContact O-N 3.47Å; S65-K69 PolarHBondContact OG-NZ 3.45Å; S65-K69 VanDerWaalsContact OG-NZ 3.08Å; S65-D76 PolarHBondContact N-OD1 3.25Å; S65-D76 PolarHBondContact OG-OD1 2.88Å
66G85.5Confident94Very high0 Ų076.8 Ų76.80%038%0.375CS..Hα-helixtrans-62.9-39.6-174.200000113.9Y61 G64 E68 K70 V71Y61-G66 WeakPolarHBondContact CE2-O 3.36Å; Y61-G66 VanDerWaalsContact CZ-O 3.28Å; Y61-G66 CarbonylContact O-C 3.54Å; Y61-G66 WeakPolarHBondContact O-CA 3.19Å; Y61-G66 PolarHBondContact OH-O 3.08Å; G64-G66 PolarHBondContact O-N 3.16Å; G66-E68 VanDerWaalsContact C-N 3.31Å; G66-E68 PolarHBondContact O-N 3.43Å; G66-K70 WeakPolarHBondContact O-CA 3.26Å; G66-K70 PolarHBondContact O-N 3.13Å; G66-V71 VanDerWaalsContact CA-O 3.25Å; G66-V71 WeakPolarHBondContact CA-O 3.46Å; G66-V71 PolarHBondContact O-N 3.43Å
67K85.3Confident94Very high156 Ų15677.5 Ų77.568%0.67838%0.379SS*.Hα-helixtrans-61.4-38.7178.4-169.8-177.4178.3-171.70112.9Y61 S65Y61-K67 PolarHBondContact O-N 3.24Å; S65-K67 PolarHBondContact O-N 3.09Å
68E91.9Very high94Very high169 Ų16976 Ų7679%0.7937%0.366SS*.Hα-helixtrans-78.7-46.6-179.3-62.9177.8170.400111.3S65 G66 K70S65-E68 PolarHBondContact O-N 3.32Å; G66-E68 VanDerWaalsContact C-N 3.31Å; G66-E68 PolarHBondContact O-N 3.43Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 3.18Å
69K93.7Very high93.9Very high132 Ų13274.3 Ų74.357%0.57435%0.354SS*.Hα-helixtrans-83.1-7.7-176.3-63.5176.8-174161.40113.6S65 V71S65-K69 WeakPolarHBondContact O-CB 3.29Å; S65-K69 WeakPolarHBondContact O-CG 3.35Å; S65-K69 PolarHBondContact O-N 3.47Å; S65-K69 PolarHBondContact OG-NZ 3.45Å; S65-K69 VanDerWaalsContact OG-NZ 3.08Å; K69-V71 PolarHBondContact O-N 3.02Å; K69-V71 VanDerWaalsContact O-N 3.16Å
70K94.8Very high93.8Very high172 Ų17270.8 Ų70.875%0.74834%0.341SS*.THydrogen-bonded Turntrans53.626.5-173.3-58.9-178-179.7176.80113.9G66 E68G66-K70 WeakPolarHBondContact O-CA 3.26Å; G66-K70 PolarHBondContact O-N 3.13Å; E68-K70 VanDerWaalsContact C-N 3.31Å; E68-K70 PolarHBondContact O-N 3.18Å
71V96Very high93.8Very high83 Ų8370.8 Ų70.850%0.50334%0.341SS..SBendtrans-143.1129.8-176.7172.80000108.7G66 K69 T73G66-V71 VanDerWaalsContact CA-O 3.25Å; G66-V71 WeakPolarHBondContact CA-O 3.46Å; G66-V71 PolarHBondContact O-N 3.43Å; K69-V71 PolarHBondContact O-N 3.02Å; K69-V71 VanDerWaalsContact O-N 3.16Å; V71-T73 HydrophobicContact CG1-CG2 4.14Å
72L96.9Very high93.7Very high66 Ų6671.1 Ų71.135%0.34635%0.345SS..  trans-83121.1170-178.664.2000109.5A57 Y61 D76 L77A57-L72 HydrophobicContact CB-CD2 4.04Å; Y61-L72 HydrophobicContact CD2-CB 4.19Å; L72-D76 HydrophobicContact CD1-CB 3.91Å; L72-L77 HydrophobicContact CD2-CD2 4.41Å
73T95.7Very high93.6Very high48 Ų4869.6 Ų69.629%0.29435%0.346SS..  trans-107162.6178.872.80000111.7V71 S75 D76 L77V71-T73 HydrophobicContact CG1-CG2 4.14Å; T73-S75 PolarHBondContact O-N 3.34Å; T73-S75 PolarHBondContact OG1-N 2.75Å; T73-D76 WeakPolarHBondContact CA-OD2 3.31Å; T73-D76 WeakPolarHBondContact CB-OD2 3.4Å; T73-D76 PolarHBondContact N-OD2 3.01Å; T73-D76 PolarHBondContact O-N 3.08Å; T73-D76 VanDerWaalsContact O-N 3.15Å; T73-D76 VanDerWaalsContact OG1-CG 3.29Å; T73-D76 PolarHBondContact OG1-N 3.41Å; T73-D76 PolarHBondContact OG1-OD2 3.42Å; T73-L77 PolarHBondContact O-N 2.94Å
74Y95.1Very high93.7Very high81 Ų8164.4 Ų64.432%0.31832%0.323SS..Hα-helixtrans-57.7-36.1173178.6-86.6000112.1D76 L77 A78 L94 P95 K97Y74-D76 VanDerWaalsContact C-N 3.27Å; Y74-D76 PolarHBondContact O-N 2.85Å; Y74-L77 PolarHBondContact O-N 3.48Å; Y74-A78 HydrophobicContact CD1-CB 4.33Å; Y74-A78 HydrophobicContact CE1-CB 3.87Å; Y74-A78 PolarHBondContact O-N 3.46Å; Y74-L94 HydrophobicContact CE2-CD2 4.09Å; Y74-P95 WeakPolarHBondContact CE1-O 3.41Å; Y74-P95 PolarHBondContact OH-O 3.16Å; Y74-K97 HydrophobicContact CD1-CD 4.17Å; Y74-K97 HydrophobicContact CD1-CG 4.4Å; Y74-K97 HydrophobicContact CE1-CD 4.06Å; Y74-K97 HydrophobicContact CE1-CG 3.89Å
75S94.7Very high93.9Very high65 Ų6571.3 Ų71.346%0.45535%0.348SS..Hα-helixtrans-62.4-37178.9-167.40000111.7T73 L77 A78 N79T73-S75 PolarHBondContact O-N 3.34Å; T73-S75 PolarHBondContact OG1-N 2.75Å; S75-L77 VanDerWaalsContact C-N 3.33Å; S75-A78 PolarHBondContact O-N 3.02Å; S75-N79 WeakPolarHBondContact O-CB 3.18Å; S75-N79 PolarHBondContact O-N 3.04Å; S75-N79 PolarHBondContact O-ND2 3.33Å; S75-N79 PolarHBondContact O-OD1 3.13Å; S75-N79 VanDerWaalsContact O-OD1 3.11Å
76D95.9Very high94.2Very high3 Ų375.2 Ų75.22%0.01637%0.371CS..Hα-helixtrans-66.1-39.1178.6-53.5-58000110.9S65 L72 T73 Y74 T80S65-D76 PolarHBondContact N-OD1 3.25Å; S65-D76 PolarHBondContact OG-OD1 2.88Å; L72-D76 HydrophobicContact CD1-CB 3.91Å; T73-D76 WeakPolarHBondContact CA-OD2 3.31Å; T73-D76 WeakPolarHBondContact CB-OD2 3.4Å; T73-D76 PolarHBondContact N-OD2 3.01Å; T73-D76 PolarHBondContact O-N 3.08Å; T73-D76 VanDerWaalsContact O-N 3.15Å; T73-D76 VanDerWaalsContact OG1-CG 3.29Å; T73-D76 PolarHBondContact OG1-N 3.41Å; T73-D76 PolarHBondContact OG1-OD2 3.42Å; Y74-D76 VanDerWaalsContact C-N 3.27Å; Y74-D76 PolarHBondContact O-N 2.85Å; D76-T80 WeakPolarHBondContact O-CB 3.28Å; D76-T80 PolarHBondContact O-N 3.35Å; D76-T80 PolarHBondContact O-OG1 3.32Å
77L96.8Very high94.7Very high38 Ų3875.4 Ų75.420%0.19937%0.372CS..Hα-helixtrans-65.9-47.5174.8-69.5166.6000111.8L56 L72 T73 Y74 S75 N79 T80 A81 L94L56-L77 HydrophobicContact CD1-CD2 4.32Å; L56-L77 HydrophobicContact CD2-CD2 4.22Å; L56-L77 HydrophobicContact CG-CD2 3.9Å; L72-L77 HydrophobicContact CD2-CD2 4.41Å; T73-L77 PolarHBondContact O-N 2.94Å; Y74-L77 PolarHBondContact O-N 3.48Å; S75-L77 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 2.85Å; L77-T80 WeakPolarHBondContact O-CB 3.36Å; L77-T80 PolarHBondContact O-N 3.2Å; L77-A81 PolarHBondContact O-N 3.38Å; L77-L94 HydrophobicContact CB-CD1 4.49Å
78A96.4Very high95.3Very high1 Ų173.9 Ų73.91%0.00837%0.367CS..Hα-helixtrans-64-39.5179.500000112.2Y74 S75 A81 Q82 L94 K96Y74-A78 HydrophobicContact CD1-CB 4.33Å; Y74-A78 HydrophobicContact CE1-CB 3.87Å; Y74-A78 PolarHBondContact O-N 3.46Å; S75-A78 PolarHBondContact O-N 3.02Å; A78-A81 PolarHBondContact O-N 3.04Å; A78-Q82 WeakPolarHBondContact O-CG 3.23Å; A78-Q82 PolarHBondContact O-N 3.35Å; A78-L94 WeakPolarHBondContact CA-O 3.39Å; A78-L94 WeakPolarHBondContact CB-O 3.44Å; A78-K96 HydrophobicContact CB-CG 4.24Å
79N94.8Very high95.5Very high43 Ų4372.2 Ų72.223%0.2336%0.358CS..Hα-helixtrans-64.4-45.7174.7-65.9-0.8000110.9S75 L77 A81 Q82 E83 K96S75-N79 WeakPolarHBondContact O-CB 3.18Å; S75-N79 PolarHBondContact O-N 3.04Å; S75-N79 PolarHBondContact O-ND2 3.33Å; S75-N79 PolarHBondContact O-OD1 3.13Å; S75-N79 VanDerWaalsContact O-OD1 3.11Å; L77-N79 PolarHBondContact O-N 2.85Å; N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 2.81Å; N79-Q82 PolarHBondContact O-N 2.87Å; N79-E83 WeakPolarHBondContact O-CB 3.49Å; N79-E83 WeakPolarHBondContact O-CG 3.35Å; N79-E83 PolarHBondContact O-N 2.81Å; N79-K96 WeakPolarHBondContact OD1-CE 3.18Å
80T96.1Very high95.6Very high8 Ų866.8 Ų66.85%0.04934%0.335CS..Hα-helixtrans-56.8-44.4176.7-60.20000111.9L56 Y59 S60 D76 L77 Q82 S84 F87L56-T80 HydrophobicContact CD1-CG2 4.15Å; Y59-T80 HydrophobicContact CD1-CG2 3.5Å; Y59-T80 HydrophobicContact CE1-CG2 3.91Å; S60-T80 VanDerWaalsContact CA-OG1 3.26Å; S60-T80 WeakPolarHBondContact CA-OG1 3.43Å; S60-T80 VanDerWaalsContact CB-OG1 3.29Å; S60-T80 WeakPolarHBondContact CB-OG1 3.46Å; S60-T80 WeakPolarHBondContact OG-CB 3.45Å; S60-T80 WeakPolarHBondContact OG-CG2 3.41Å; S60-T80 PolarHBondContact OG-OG1 2.8Å; D76-T80 WeakPolarHBondContact O-CB 3.28Å; D76-T80 PolarHBondContact O-N 3.35Å; D76-T80 PolarHBondContact O-OG1 3.32Å; L77-T80 WeakPolarHBondContact O-CB 3.36Å; L77-T80 PolarHBondContact O-N 3.2Å; T80-Q82 PolarHBondContact O-N 3.43Å; T80-S84 VanDerWaalsContact O-CB 3.23Å; T80-S84 WeakPolarHBondContact O-CB 3.29Å; T80-S84 PolarHBondContact O-N 3.4Å; T80-S84 VanDerWaalsContact O-N 3.09Å; T80-F87 HydrophobicContact CG2-CB 4.32Å; T80-F87 HydrophobicContact CG2-CD2 3.42Å; T80-F87 VanDerWaalsContact CG2-CD2 3.42Å; T80-F87 HydrophobicContact CG2-CE2 3.95Å; T80-F87 HydrophobicContact CG2-CG 4.03Å
81A96.4Very high95.7Very high0 Ų059.8 Ų59.80%031%0.309CS..Hα-helixtrans-63.7-27.4178.600000113.3L77 A78 N79 Q88 L90 L94L77-A81 PolarHBondContact O-N 3.38Å; A78-A81 PolarHBondContact O-N 3.04Å; N79-A81 VanDerWaalsContact C-N 3.3Å; N79-A81 PolarHBondContact O-N 2.81Å; A81-Q88 WeakPolarHBondContact O-CA 3.4Å; A81-L90 HydrophobicContact CB-CB 3.84Å; A81-L94 HydrophobicContact CB-CB 4.14Å
82Q93.9Very high95.6Very high86 Ų8663.1 Ų63.140%0.40232%0.324SS..Hα-helixtrans-92.4-32.8-180-70.9-173.4-3.900113.8A78 N79 T80A78-Q82 WeakPolarHBondContact O-CG 3.23Å; A78-Q82 PolarHBondContact O-N 3.35Å; N79-Q82 PolarHBondContact O-N 2.87Å; T80-Q82 PolarHBondContact O-N 3.43Å
83E93Very high95.6Very high139 Ų13966 Ų6665%0.6534%0.339SS*.Hα-helixtrans-98.9-18.7-169.2-67.8163.4-156.200112.7N79 K96N79-E83 WeakPolarHBondContact O-CB 3.49Å; N79-E83 WeakPolarHBondContact O-CG 3.35Å; N79-E83 PolarHBondContact O-N 2.81Å; E83-K96 IonicContact OE1-NZ 3.32Å; E83-K96 PolarHBondContact OE1-NZ 3.1Å
84S94.6Very high95.5Very high11 Ų1165.4 Ų65.48%0.07733%0.333CS..  trans-102.6121.2178.9-176.50000111.5T80 T86 F87 Q88T80-S84 VanDerWaalsContact O-CB 3.23Å; T80-S84 WeakPolarHBondContact O-CB 3.29Å; T80-S84 PolarHBondContact O-N 3.4Å; T80-S84 VanDerWaalsContact O-N 3.09Å; S84-T86 PolarHBondContact O-N 3.45Å; S84-F87 CarbonylContact O-C 3.51Å; S84-F87 PolarHBondContact O-N 3.33Å; S84-F87 WeakPolarHBondContact OG-CD2 3.41Å; S84-Q88 PolarHBondContact O-N 2.91Å
85E95.2Very high95.5Very high170 Ų17064.6 Ų64.679%0.79434%0.338SS*.G310 helixtrans-53.6-39.4174.5-173.7-179.8-173.100112F87 Q88E85-F87 VanDerWaalsContact C-N 3.26Å; E85-F87 PolarHBondContact O-N 3.02Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 3.12Å
86T95.7Very high95.3Very high108 Ų10866 Ų6666%0.66334%0.336SS*.G310 helixtrans-64-29.7178.9-51.60000113.1S84S84-T86 PolarHBondContact O-N 3.45Å
87F96.9Very high95.1Very high5 Ų573.9 Ų73.92%0.02237%0.37CS..G310 helixtrans-106.84.9-178-60.2-65.8000113.3F52 L56 Y59 T80 S84 E85 F89 L90F52-F87 HydrophobicContact CE2-CD1 4.11Å; F52-F87 AromaticContact CE2-CE1 3.98Å; F52-F87 HydrophobicContact CE2-CE1 3.98Å; L56-F87 HydrophobicContact CB-CE1 4.16Å; L56-F87 HydrophobicContact CD1-CD1 3.82Å; L56-F87 HydrophobicContact CD1-CE1 3.98Å; L56-F87 HydrophobicContact CD1-CG 4.14Å; L56-F87 HydrophobicContact CD1-CZ 4.43Å; Y59-F87 HydrophobicContact CD1-CD2 4.28Å; Y59-F87 AromaticContact CD1-CE2 3.78Å; Y59-F87 HydrophobicContact CD1-CE2 3.78Å; Y59-F87 HydrophobicContact CD2-CE2 4.07Å; Y59-F87 HydrophobicContact CE1-CE2 4.27Å; Y59-F87 AromaticContact CG-CE2 3.66Å; Y59-F87 HydrophobicContact CG-CE2 3.66Å; Y59-F87 HydrophobicContact CG-CZ 4.37Å; T80-F87 HydrophobicContact CG2-CB 4.32Å; T80-F87 HydrophobicContact CG2-CD2 3.42Å; T80-F87 VanDerWaalsContact CG2-CD2 3.42Å; T80-F87 HydrophobicContact CG2-CE2 3.95Å; T80-F87 HydrophobicContact CG2-CG 4.03Å; S84-F87 CarbonylContact O-C 3.51Å; S84-F87 PolarHBondContact O-N 3.33Å; S84-F87 WeakPolarHBondContact OG-CD2 3.41Å; E85-F87 VanDerWaalsContact C-N 3.26Å; E85-F87 PolarHBondContact O-N 3.02Å; F87-F89 PolarHBondContact O-N 2.99Å; F87-F89 VanDerWaalsContact O-N 3.12Å; F87-L90 VanDerWaalsContact O-CB 3.31Å; F87-L90 WeakPolarHBondContact O-CB 3.22Å; F87-L90 PolarHBondContact O-N 3.34Å
88Q95.9Very high94.7Very high123 Ų12376.1 Ų76.158%0.57538%0.381SS*.G310 helixtrans-58.4-30.4-175.1-173178.7-18.300113.2A81 S84 E85 L90 A91A81-Q88 WeakPolarHBondContact O-CA 3.4Å; S84-Q88 PolarHBondContact O-N 2.91Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 3.12Å; Q88-L90 PolarHBondContact O-N 2.99Å; Q88-A91 VanDerWaalsContact O-CB 3.28Å; Q88-A91 WeakPolarHBondContact O-CB 3.35Å; Q88-A91 PolarHBondContact O-N 3.22Å
89F96.6Very high94.4Very high134 Ų13481.9 Ų81.959%0.58841%0.411SS*.G310 helixtrans-61.1-13.7175.581-85.3000113.9F52 F87F52-F89 HydrophobicContact CE1-CZ 4.39Å; F52-F89 AromaticContact CE2-CE1 3.95Å; F52-F89 HydrophobicContact CE2-CE1 3.95Å; F52-F89 AromaticContact CE2-CZ 3.66Å; F52-F89 HydrophobicContact CE2-CZ 3.66Å; F52-F89 HydrophobicContact CZ-CE1 4.06Å; F52-F89 HydrophobicContact CZ-CE2 4.44Å; F52-F89 AromaticContact CZ-CZ 3.43Å; F52-F89 HydrophobicContact CZ-CZ 3.43Å; F52-F89 VanDerWaalsContact CZ-CZ 3.43Å; F87-F89 PolarHBondContact O-N 2.99Å; F87-F89 VanDerWaalsContact O-N 3.12Å
90L97.2Very high94.3Very high19 Ų1983 Ų8310%0.09943%0.427CS..G310 helixtrans-91.9-6.5175-62.4178.9000113.7F52 L56 A81 F87 Q88 D92 I93 L94F52-L90 HydrophobicContact CZ-CD1 4.03Å; L56-L90 HydrophobicContact CD1-CD1 4.09Å; L56-L90 HydrophobicContact CD2-CD1 3.87Å; A81-L90 HydrophobicContact CB-CB 3.84Å; F87-L90 VanDerWaalsContact O-CB 3.31Å; F87-L90 WeakPolarHBondContact O-CB 3.22Å; F87-L90 PolarHBondContact O-N 3.34Å; Q88-L90 PolarHBondContact O-N 2.99Å; L90-D92 VanDerWaalsContact C-N 3.26Å; L90-D92 PolarHBondContact O-N 3.29Å; L90-I93 CarbonylContact O-C 3.56Å; L90-I93 WeakPolarHBondContact O-CA 3.37Å; L90-I93 PolarHBondContact O-N 3.15Å; L90-L94 HydrophobicContact CB-CD1 4.28Å; L90-L94 HydrophobicContact CD1-CD1 4.02Å; L90-L94 PolarHBondContact O-N 2.9Å
91A95Very high94.1Very high25 Ų2586.2 Ų86.221%0.20745%0.449CS..THydrogen-bonded Turntrans-56.2-40.4-171.300000112.8Q88 I93 L94Q88-A91 VanDerWaalsContact O-CB 3.28Å; Q88-A91 WeakPolarHBondContact O-CB 3.35Å; Q88-A91 PolarHBondContact O-N 3.22Å; A91-I93 VanDerWaalsContact C-N 3.33Å; A91-L94 CarbonylContact O-C 3.56Å
92D95.1Very high93.9Very high152 Ų15292.4 Ų92.481%0.81348%0.477SS*.THydrogen-bonded Turntrans-75.4-23178.4-60.6-30.2000112.9L90L90-D92 VanDerWaalsContact C-N 3.26Å; L90-D92 PolarHBondContact O-N 3.29Å
93I95.8Very high93.8Very high128 Ų12894 Ų9466%0.65648%0.48SS*.THydrogen-bonded Turntrans-89.6-32.5-178.9-52.8-58000111.4L90 A91 P95L90-I93 CarbonylContact O-C 3.56Å; L90-I93 WeakPolarHBondContact O-CA 3.37Å; L90-I93 PolarHBondContact O-N 3.15Å; A91-I93 VanDerWaalsContact C-N 3.33Å; I93-P95 WeakPolarHBondContact O-CD 3.22Å
94L95.4Very high93.8Very high34 Ų3492.2 Ų92.218%0.17847%0.474CS..SBendtrans-121.262.4-179-63.9177.5000111.3Y74 L77 A78 A81 L90 A91Y74-L94 HydrophobicContact CE2-CD2 4.09Å; L77-L94 HydrophobicContact CB-CD1 4.49Å; A78-L94 WeakPolarHBondContact CA-O 3.39Å; A78-L94 WeakPolarHBondContact CB-O 3.44Å; A81-L94 HydrophobicContact CB-CB 4.14Å; L90-L94 HydrophobicContact CB-CD1 4.28Å; L90-L94 HydrophobicContact CD1-CD1 4.02Å; L90-L94 PolarHBondContact O-N 2.9Å; A91-L94 CarbonylContact O-C 3.56Å
95P93.8Very high93.8Very high65 Ų6597.5 Ų97.542%0.42250%0.496SS..PPolyproline II helixtrans-69.7150.3-177.329.4-36.1000112Y74 I93 K97Y74-P95 WeakPolarHBondContact CE1-O 3.41Å; Y74-P95 PolarHBondContact OH-O 3.16Å; I93-P95 WeakPolarHBondContact O-CD 3.22Å; P95-K97 PolarHBondContact O-N 3.25Å
96K91.4Very high93.7Very high93 Ų9393 Ų9340%0.40448%0.475SS..PPolyproline II helixtrans-62.6129.3166.5-78.9-178.8180146.10109.3A78 N79 E83A78-K96 HydrophobicContact CB-CG 4.24Å; N79-K96 WeakPolarHBondContact OD1-CE 3.18Å; E83-K96 IonicContact OE1-NZ 3.32Å; E83-K96 PolarHBondContact OE1-NZ 3.1Å
97K90.2Very high93.6Very high169 Ų16991.2 Ų91.274%0.73546%0.461SS*.PPolyproline II helixtrans-78.1132.4179.3-64.8179.7-178.4179.90110Y74 P95Y74-K97 HydrophobicContact CD1-CD 4.17Å; Y74-K97 HydrophobicContact CD1-CG 4.4Å; Y74-K97 HydrophobicContact CE1-CD 4.06Å; Y74-K97 HydrophobicContact CE1-CG 3.89Å; P95-K97 PolarHBondContact O-N 3.25Å
98I88.8Confident93.4Very high85 Ų8597.9 Ų97.944%0.43649%0.49SS..  trans-117.9139167.8-171.6166.2000109.3K102 Y103 M106I98-K102 HydrophobicContact CD1-CD 4.36Å; I98-K102 HydrophobicContact CD1-CG 4.29Å; I98-K102 HydrophobicContact CG1-CB 4.17Å; I98-K102 HydrophobicContact CG1-CD 4.21Å; I98-K102 HydrophobicContact CG1-CG 4.31Å; I98-Y103 HydrophobicContact CD1-CD2 4.29Å; I98-M106 HydrophobicContact CD1-SD 3.72Å
99L91Very high93.3Very high122 Ų12295.7 Ų95.764%0.63948%0.48SS*.  trans-71.4135.1174.4-172.262.6000109.2S101 K102 Y103L99-S101 WeakPolarHBondContact CD2-OG 3.48Å; L99-S101 VanDerWaalsContact CG-OG 3.32Å; L99-S101 WeakPolarHBondContact CG-OG 3.39Å; L99-S101 PolarHBondContact O-N 2.87Å; L99-K102 HydrophobicContact CB-CB 4.24Å; L99-K102 WeakPolarHBondContact O-CA 3.38Å; L99-K102 WeakPolarHBondContact O-CB 3.43Å; L99-K102 PolarHBondContact O-N 2.89Å; L99-Y103 PolarHBondContact O-N 3.01Å
100A91.6Very high92.9Very high68 Ų6893.9 Ų93.956%0.56247%0.474SS*.Hα-helixtrans-54.7-40.3-178.700000112.5K102 Y103 L104A100-K102 VanDerWaalsContact C-N 3.32Å; A100-K102 PolarHBondContact O-N 2.68Å; A100-Y103 PolarHBondContact O-N 2.96Å; A100-L104 WeakPolarHBondContact O-CB 3.37Å; A100-L104 VanDerWaalsContact O-CG 3.26Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 2.87Å
101S92.4Very high92.5Very high74 Ų7499 Ų9952%0.51750%0.495SS..Hα-helixtrans-63.2-36.6175.757.30000113.1L99 K105L99-S101 WeakPolarHBondContact CD2-OG 3.48Å; L99-S101 VanDerWaalsContact CG-OG 3.32Å; L99-S101 WeakPolarHBondContact CG-OG 3.39Å; L99-S101 PolarHBondContact O-N 2.87Å; S101-K105 WeakPolarHBondContact O-CB 3.4Å; S101-K105 PolarHBondContact O-N 2.86Å
102K93.3Very high92.1Very high131 Ų131105.9 Ų105.957%0.5752%0.516SS*.Hα-helixtrans-67.1-45.7174.7-175.1179177.7-176.10110.4I98 L99 A100 K105 M106I98-K102 HydrophobicContact CD1-CD 4.36Å; I98-K102 HydrophobicContact CD1-CG 4.29Å; I98-K102 HydrophobicContact CG1-CB 4.17Å; I98-K102 HydrophobicContact CG1-CD 4.21Å; I98-K102 HydrophobicContact CG1-CG 4.31Å; L99-K102 HydrophobicContact CB-CB 4.24Å; L99-K102 WeakPolarHBondContact O-CA 3.38Å; L99-K102 WeakPolarHBondContact O-CB 3.43Å; L99-K102 PolarHBondContact O-N 2.89Å; A100-K102 VanDerWaalsContact C-N 3.32Å; A100-K102 PolarHBondContact O-N 2.68Å; K102-K105 WeakPolarHBondContact O-CB 3.44Å; K102-K105 PolarHBondContact O-N 2.81Å; K102-K105 VanDerWaalsContact O-N 3.17Å; K102-M106 HydrophobicContact CG-SD 4.38Å; K102-M106 WeakPolarHBondContact O-CG 3.44Å; K102-M106 PolarHBondContact O-N 2.91Å
103Y90.9Very high91.6Very high119 Ų119104.3 Ų104.347%0.46750%0.504SS..Hα-helixtrans-61-45.9177.5-177.5-109000112.1I98 L99 A100 K105 M106 L107I98-Y103 HydrophobicContact CD1-CD2 4.29Å; L99-Y103 PolarHBondContact O-N 3.01Å; A100-Y103 PolarHBondContact O-N 2.96Å; Y103-K105 PolarHBondContact O-N 2.66Å; Y103-M106 PolarHBondContact O-N 2.72Å; Y103-L107 HydrophobicContact CD1-CD1 3.98Å; Y103-L107 HydrophobicContact CE1-CD1 3.46Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.46Å; Y103-L107 HydrophobicContact CE1-CG 4.14Å; Y103-L107 HydrophobicContact CE2-CG 4.46Å; Y103-L107 PolarHBondContact O-N 2.69Å
104L93.8Very high90.9Very high101 Ų101103.7 Ų103.753%0.52950%0.498SS..Hα-helixtrans-63.3-29.8175.4-70.7171.9000113.2A100 K108A100-L104 WeakPolarHBondContact O-CB 3.37Å; A100-L104 VanDerWaalsContact O-CG 3.26Å; A100-L104 WeakPolarHBondContact O-CG 3.37Å; A100-L104 PolarHBondContact O-N 2.87Å; L104-K108 VanDerWaalsContact O-CG 3.29Å; L104-K108 WeakPolarHBondContact O-CG 3.2Å; L104-K108 PolarHBondContact O-N 3.37Å
105K94.7Very high90.3Very high123 Ų123106 Ų10654%0.53551%0.511SS..Hα-helixtrans-71.1-46.1174-167.7176.6-175.9-87.10110.7S101 K102 Y103 L107 K108 E109S101-K105 WeakPolarHBondContact O-CB 3.4Å; S101-K105 PolarHBondContact O-N 2.86Å; K102-K105 WeakPolarHBondContact O-CB 3.44Å; K102-K105 PolarHBondContact O-N 2.81Å; K102-K105 VanDerWaalsContact O-N 3.17Å; Y103-K105 PolarHBondContact O-N 2.66Å; K105-L107 PolarHBondContact O-N 3.34Å; K105-K108 WeakPolarHBondContact O-CB 3.39Å; K105-K108 PolarHBondContact O-N 3.15Å; K105-K108 VanDerWaalsContact O-N 3.09Å; K105-E109 WeakPolarHBondContact CE-OE1 3.48Å; K105-E109 IonicContact NZ-OE1 2.6Å; K105-E109 PolarHBondContact NZ-OE1 3.45Å; K105-E109 IonicContact NZ-OE2 3.79Å; K105-E109 WeakPolarHBondContact O-CG 3.42Å; K105-E109 PolarHBondContact O-N 3.26Å
106M92.7Very high89.5Confident74 Ų74109 Ų10937%0.36552%0.519SS..Hα-helixtrans-56.7-47.7176.4-69.3173.661.800111.5I98 K102 Y103 K108 E109 E110I98-M106 HydrophobicContact CD1-SD 3.72Å; K102-M106 HydrophobicContact CG-SD 4.38Å; K102-M106 WeakPolarHBondContact O-CG 3.44Å; K102-M106 PolarHBondContact O-N 2.91Å; Y103-M106 PolarHBondContact O-N 2.72Å; M106-K108 VanDerWaalsContact C-N 3.26Å; M106-K108 PolarHBondContact O-N 3.5Å; M106-E109 PolarHBondContact O-N 2.85Å; M106-E109 VanDerWaalsContact O-N 3.09Å; M106-E110 PolarHBondContact O-N 3.48Å
107L92.7Very high88.7Confident71 Ų71111 Ų11137%0.37253%0.53SS..Hα-helixtrans-61.7-31.6176.9-69.7178.1000113.8Y103 K105 K111Y103-L107 HydrophobicContact CD1-CD1 3.98Å; Y103-L107 HydrophobicContact CE1-CD1 3.46Å; Y103-L107 VanDerWaalsContact CE1-CD1 3.46Å; Y103-L107 HydrophobicContact CE1-CG 4.14Å; Y103-L107 HydrophobicContact CE2-CG 4.46Å; Y103-L107 PolarHBondContact O-N 2.69Å; K105-L107 PolarHBondContact O-N 3.34Å; L107-K111 WeakPolarHBondContact O-CB 3.4Å; L107-K111 PolarHBondContact O-N 3Å
108K93.4Very high87.8Confident145 Ų145107.4 Ų107.463%0.6352%0.518SS*.Hα-helixtrans-76.6-30176.6-76.6176.4-178.7-1750112.3L104 K105 M106 R112L104-K108 VanDerWaalsContact O-CG 3.29Å; L104-K108 WeakPolarHBondContact O-CG 3.2Å; L104-K108 PolarHBondContact O-N 3.37Å; K105-K108 WeakPolarHBondContact O-CB 3.39Å; K105-K108 PolarHBondContact O-N 3.15Å; K105-K108 VanDerWaalsContact O-N 3.09Å; M106-K108 VanDerWaalsContact C-N 3.26Å; M106-K108 PolarHBondContact O-N 3.5Å; K108-R112 WeakPolarHBondContact O-CG 3.4Å; K108-R112 PolarHBondContact O-N 3.07Å
109E92.8Very high86.9Confident77 Ų77108.9 Ų108.936%0.3653%0.527SS..Hα-helixtrans-75.5-48.8177.1-73171.5163.900109.8K105 M106 K111 R112 E113K105-E109 WeakPolarHBondContact CE-OE1 3.48Å; K105-E109 IonicContact NZ-OE1 2.6Å; K105-E109 PolarHBondContact NZ-OE1 3.45Å; K105-E109 IonicContact NZ-OE2 3.79Å; K105-E109 WeakPolarHBondContact O-CG 3.42Å; K105-E109 PolarHBondContact O-N 3.26Å; M106-E109 PolarHBondContact O-N 2.85Å; M106-E109 VanDerWaalsContact O-N 3.09Å; E109-K111 VanDerWaalsContact C-N 3.3Å; E109-K111 PolarHBondContact O-N 3.16Å; E109-R112 WeakPolarHBondContact O-CB 3.41Å; E109-R112 PolarHBondContact O-N 3.26Å; E109-E113 WeakPolarHBondContact O-CG 3.18Å; E109-E113 PolarHBondContact O-N 3.38Å
110E88.5Confident85.6Confident96 Ų96108 Ų10845%0.44952%0.523SS..Hα-helixtrans-53-46.4173.2-76.2171.4172.100111.6M106 R112 E113 E114M106-E110 PolarHBondContact O-N 3.48Å; E110-R112 VanDerWaalsContact C-N 3.31Å; E110-R112 PolarHBondContact O-N 3.08Å; E110-E113 PolarHBondContact O-N 3.41Å; E110-E114 WeakPolarHBondContact O-CG 3.45Å; E110-E114 PolarHBondContact O-N 3.43Å
111K88.7Confident84.1Confident127 Ų127110.2 Ų110.255%0.55253%0.525SS*.Hα-helixtrans-62.7-35.1177.4-175171.3-179.3176.10113.6L107 E109 D115L107-K111 WeakPolarHBondContact O-CB 3.4Å; L107-K111 PolarHBondContact O-N 3Å; E109-K111 VanDerWaalsContact C-N 3.3Å; E109-K111 PolarHBondContact O-N 3.16Å; K111-D115 WeakPolarHBondContact O-CB 3.31Å; K111-D115 PolarHBondContact O-N 3.5Å
112R87.3Confident82.3Confident169 Ų169112.8 Ų112.864%0.63853%0.533SS*.Hα-helixtrans-71.9-40177.4-77.6174.9-178.8-167.4-3.6111.4K108 E109 E110 E114 D115 E116K108-R112 WeakPolarHBondContact O-CG 3.4Å; K108-R112 PolarHBondContact O-N 3.07Å; E109-R112 WeakPolarHBondContact O-CB 3.41Å; E109-R112 PolarHBondContact O-N 3.26Å; E110-R112 VanDerWaalsContact C-N 3.31Å; E110-R112 PolarHBondContact O-N 3.08Å; R112-E114 VanDerWaalsContact C-N 3.32Å; R112-D115 PolarHBondContact O-N 3.44Å; R112-E116 WeakPolarHBondContact O-CB 3.5Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.12Å
113E85Confident80.5Confident120 Ų120114.2 Ų114.256%0.56154%0.542SS*.Hα-helixtrans-61.9-42.8175.1-68.8172.2-174.300110.2E109 E110 E116 E117E109-E113 WeakPolarHBondContact O-CG 3.18Å; E109-E113 PolarHBondContact O-N 3.38Å; E110-E113 PolarHBondContact O-N 3.41Å; E113-E116 PolarHBondContact O-N 3.15Å; E113-E117 WeakPolarHBondContact O-CG 3.39Å; E113-E117 PolarHBondContact O-N 3.05Å
114E80.2Confident78.6Confident115 Ų115112.7 Ų112.754%0.53755%0.549SS..Hα-helixtrans-61.1-45172.6-71.5173.4-177.200112.5E110 R112 E117 N118E110-E114 WeakPolarHBondContact O-CG 3.45Å; E110-E114 PolarHBondContact O-N 3.43Å; R112-E114 VanDerWaalsContact C-N 3.32Å; E114-E117 PolarHBondContact O-N 2.7Å; E114-N118 PolarHBondContact O-N 2.89Å; E114-N118 VanDerWaalsContact O-N 3.09Å; E114-N118 PolarHBondContact O-ND2 2.81Å
115D82.5Confident76.7Confident83 Ų83115.1 Ų115.144%0.44456%0.562SS.*Hα-helixtrans-63.8-40.4178.1-68.9-26.5000111K111 R112 N118 D119K111-D115 WeakPolarHBondContact O-CB 3.31Å; K111-D115 PolarHBondContact O-N 3.5Å; R112-D115 PolarHBondContact O-N 3.44Å; D115-N118 PolarHBondContact O-N 2.83Å; D115-D119 PolarHBondContact O-N 3.36Å; D115-D119 VanDerWaalsContact O-N 3.14Å
116E78.4Confident74.8Confident126 Ų126117.3 Ų117.359%0.58957%0.574SS**Hα-helixtrans-71.1-32.8178.1-73.2176.6-163.500113.5R112 E113 N120R112-E116 WeakPolarHBondContact O-CB 3.5Å; R112-E116 WeakPolarHBondContact O-CG 3.49Å; R112-E116 PolarHBondContact O-N 3.12Å; E113-E116 PolarHBondContact O-N 3.15Å; E116-N120 PolarHBondContact O-N 3.03Å; E116-N120 PolarHBondContact O-ND2 3.03Å
117E74.4Confident72.9Confident136 Ų136121.5 Ų121.564%0.63660%0.598SS**Hα-helixtrans-69.2-42.8172.5-77.5-177.717500111.5E113 E114 D119 N120 D121E113-E117 WeakPolarHBondContact O-CG 3.39Å; E113-E117 PolarHBondContact O-N 3.05Å; E114-E117 PolarHBondContact O-N 2.7Å; E117-D119 PolarHBondContact O-N 3.34Å; E117-N120 PolarHBondContact O-N 3.42Å; E117-D121 PolarHBondContact O-N 3.22Å; E117-D121 VanDerWaalsContact O-N 3.07Å
118N70.9Confident71.1Confident94 Ų94127.5 Ų127.550%0.50362%0.624SS.*Hα-helixtrans-66.5-33.1178.7-74.9-60.4000113.5E114 D115 N122E114-N118 PolarHBondContact O-N 2.89Å; E114-N118 VanDerWaalsContact O-N 3.09Å; E114-N118 PolarHBondContact O-ND2 2.81Å; D115-N118 PolarHBondContact O-N 2.83Å; N118-N122 PolarHBondContact O-N 3.27Å; N118-N122 PolarHBondContact O-ND2 3.35Å; N118-N122 VanDerWaalsContact O-ND2 3.13Å
119D70Confident69.2Low115 Ų115125 Ų12562%0.61563%0.631SS**Hα-helixtrans-72.2-35.6175.6-80.5-18.5000111.6D115 E117 E123D115-D119 PolarHBondContact O-N 3.36Å; D115-D119 VanDerWaalsContact O-N 3.14Å; E117-D119 PolarHBondContact O-N 3.34Å; D119-E123 PolarHBondContact O-N 2.98Å
120N63.6Low67.1Low105 Ų105130.8 Ų130.856%0.56166%0.658SS**Hα-helixtrans-69.4-38.3175.6-85.4-59.7000113E116 E117 N122 E123E116-N120 PolarHBondContact O-N 3.03Å; E116-N120 PolarHBondContact O-ND2 3.03Å; E117-N120 PolarHBondContact O-N 3.42Å; N120-N122 VanDerWaalsContact C-N 3.28Å; N120-N122 PolarHBondContact O-N 3.48Å; N120-E123 PolarHBondContact O-N 2.86Å
121D59.2Low65Low113 Ų113136 Ų13660%0.60471%0.705SS**Hα-helixtrans-65.3-33.5178-78-18.8000111.7E117 S124E117-D121 PolarHBondContact O-N 3.22Å; E117-D121 VanDerWaalsContact O-N 3.07Å; D121-S124 PolarHBondContact O-N 2.88Å; D121-S124 PolarHBondContact O-OG 3.35Å
122N55.8Low63.8Low128 Ų128136.5 Ų136.568%0.68471%0.712SS**Hα-helixtrans-74.7-20.2176-82-49.9000114.6N118 N120N118-N122 PolarHBondContact O-N 3.27Å; N118-N122 PolarHBondContact O-ND2 3.35Å; N118-N122 VanDerWaalsContact O-ND2 3.13Å; N120-N122 VanDerWaalsContact C-N 3.28Å; N120-N122 PolarHBondContact O-N 3.48Å
123E54.6Low62.6Low161 Ų161134.7 Ų134.775%0.75272%0.716SS**Hα-helixtrans-82.2-14.2174.6-84.2-167.616500113.1D119 N120 D125D119-E123 PolarHBondContact O-N 2.98Å; N120-E123 PolarHBondContact O-N 2.86Å; E123-D125 PolarHBondContact O-N 3.43Å
124S50.7Low61.3Low88 Ų88135.6 Ų135.662%0.61573%0.725SS**THydrogen-bonded Turntrans-81.2-8.7-176710000115.8D121D121-S124 PolarHBondContact O-N 2.88Å; D121-S124 PolarHBondContact O-OG 3.35Å
125D55.3Low60.2Low151 Ų151136.8 Ų136.881%0.80774%0.736SS**THydrogen-bonded Turntrans-93.59.3-174.2-104.8-5.2000114.6E123E123-D125 PolarHBondContact O-N 3.43Å
126H54.4Low58.8Low169 Ų169140.1 Ų140.178%0.78275%0.754SS**SBendtrans-113.45.1-168.3-128.6-52.4000118.4
127D52.6Low57.5Low163 Ų163141.1 Ų141.187%0.87277%0.765SS**SBendtrans-112.319.1-174.2-83.6-19.9000116.5
128E54.4Low56.3Low197 Ų197141.4 Ų141.492%0.92177%0.774SS**  trans-119.667.1169.1-75.4-158.5179.500113.1
129A53Low55.2Low92 Ų92145.1 Ų145.176%0.7680%0.795SS**  trans-159.875.7160.100000112.5
130E49.1Very low53.9Low199 Ų199147.6 Ų147.693%0.9381%0.81SS**  trans-169.598.2144-107.9173.4-159.600111.1
131S44.7Very low53.1Low205 Ų205151.5 Ų151.5100%1.43483%0.833SS**  trans-155.80153.5-82.20000110.3

Retrieved 131 of 131 residues in 94.2 ms (Link to these results)