A0A077Z687_TRITR Loading...

WGS project CAID00000000 data, contig chromosome 07

AlphaFold DB , UniProt , Accession A0A077Z687, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 140 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
1M38.2Very low42.7Very low243 Ų243156.6 Ų156.6100%1.19781%0.813SS**  0113.30-97.8165.814900109.1
2V38.9Very low43Very low129 Ų129159.9 Ų159.978%0.78282%0.816SS**  trans34114.6150.4-167.80000119.6
3R42.4Very low43.1Very low229 Ų229153 Ų15386%0.86479%0.791SS**  -168.2105110.1-106.5-175.9-170.499.7-0.7110.3
4R42.1Very low43.6Very low231 Ų231150.1 Ų150.187%0.87278%0.784SS**  trans-75109.9150.4-90-178.1177.4158-2106.1N6R4-N6 PolarHBondContact O-N 3.18Å
5S45.5Very low44.2Very low101 Ų101149.3 Ų149.371%0.70678%0.775SS**  trans-84.3101.7160.24.40000106.8T7S5-T7 PolarHBondContact O-N 3.33Å
6N38.4Very low44.6Very low145 Ų145144.8 Ų144.878%0.77576%0.76SS**  trans-73.7100.1160.6-67.9-25.8000106.7R4R4-N6 PolarHBondContact O-N 3.18Å
7T44.9Very low44.9Very low108 Ų108139.7 Ų139.766%0.66374%0.743SS**  trans-103.591.7158.153.50000106.8S5 D9S5-T7 PolarHBondContact O-N 3.33Å; T7-D9 PolarHBondContact O-N 3.42Å
8S40.4Very low45.2Very low116 Ų116137.8 Ų137.881%0.81173%0.732SS**  trans-6774.4161.7173.70000107.7E10S8-E10 VanDerWaalsContact C-N 3.29Å; S8-E10 PolarHBondContact O-N 3.31Å; S8-E10 VanDerWaalsContact O-N 3.11Å
9D47.8Very low45.5Very low141 Ų141137.6 Ų137.675%0.75473%0.727SS**  trans-81.691.2167.3-69.7-38.9000106.9T7T7-D9 PolarHBondContact O-N 3.42Å
10E43.5Very low45.7Very low165 Ų165136.4 Ų136.477%0.77172%0.721SS**  trans-35.8134.6167.3-170.2-179.412900111.1S8 K12S8-E10 VanDerWaalsContact C-N 3.29Å; S8-E10 PolarHBondContact O-N 3.31Å; S8-E10 VanDerWaalsContact O-N 3.11Å; E10-K12 PolarHBondContact O-N 3.3Å
11P47.8Very low45.9Very low115 Ų115135 Ų13575%0.74772%0.717SS**  trans-61.5105-177.825.6-33.6000108.7S13P11-S13 PolarHBondContact O-N 3.19Å
12K45.6Very low46.4Very low196 Ų196128.2 Ų128.285%0.85268%0.682SS**  trans-51.3105.8172.8-152.4167.8-171.9173.90107.2E10 T14E10-K12 PolarHBondContact O-N 3.3Å; K12-T14 PolarHBondContact O-N 3.3Å
13S44.8Very low46.8Very low70 Ų70125.2 Ų125.249%0.4967%0.667SS.*  trans-38.1117.7-173.7174.60000111.2P11 Q15 S16P11-S13 PolarHBondContact O-N 3.19Å; S13-Q15 PolarHBondContact O-N 2.69Å; S13-Q15 WeakPolarHBondContact OG-CB 3.35Å; S13-Q15 PolarHBondContact OG-N 3.39Å; S13-S16 PolarHBondContact O-N 3.47Å
14T50.7Low47.1Very low112 Ų112118 Ų11869%0.68765%0.652SS**THydrogen-bonded Turntrans-58.1-9.217742.50000113.3K12 A17 I18K12-T14 PolarHBondContact O-N 3.3Å; T14-A17 PolarHBondContact O-N 2.81Å; T14-I18 WeakPolarHBondContact O-CG1 3.48Å; T14-I18 PolarHBondContact O-N 2.9Å
15Q51.9Low47.1Very low139 Ų139111.7 Ų111.765%0.6563%0.629SS**Hα-helixtrans-67.7-35.6-177.6-144.8167.41300112.5S13 A17 I18 E19S13-Q15 PolarHBondContact O-N 2.69Å; S13-Q15 WeakPolarHBondContact OG-CB 3.35Å; S13-Q15 PolarHBondContact OG-N 3.39Å; Q15-A17 VanDerWaalsContact C-N 3.34Å; Q15-A17 PolarHBondContact O-N 3.39Å; Q15-I18 PolarHBondContact O-N 2.89Å; Q15-E19 PolarHBondContact O-N 3.26Å
16S50.7Low47.2Very low77 Ų77113.3 Ų113.354%0.53863%0.625SS.*Hα-helixtrans-72.6-27.7176.567.30000113S13 I18 N20S13-S16 PolarHBondContact O-N 3.47Å; S16-I18 VanDerWaalsContact C-N 3.29Å; S16-I18 PolarHBondContact O-N 3.43Å; S16-N20 PolarHBondContact O-N 3.19Å; S16-N20 VanDerWaalsContact O-N 3.14Å
17A49.3Very low47.5Very low58 Ų58113.8 Ų113.848%0.47963%0.627SS.*Hα-helixtrans-66.4-36.1174.400000110.9T14 Q15 V21T14-A17 PolarHBondContact O-N 2.81Å; Q15-A17 VanDerWaalsContact C-N 3.34Å; Q15-A17 PolarHBondContact O-N 3.39Å; A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 3.23Å
18I51Low47.4Very low105 Ų105113.6 Ų113.654%0.53863%0.63SS.*Hα-helixtrans-71.8-45.4178.6-57164.1000110.2T14 Q15 S16 N20 V21 Q22T14-I18 WeakPolarHBondContact O-CG1 3.48Å; T14-I18 PolarHBondContact O-N 2.9Å; Q15-I18 PolarHBondContact O-N 2.89Å; S16-I18 VanDerWaalsContact C-N 3.29Å; S16-I18 PolarHBondContact O-N 3.43Å; I18-N20 VanDerWaalsContact C-N 3.26Å; I18-N20 PolarHBondContact O-N 3.35Å; I18-V21 PolarHBondContact O-N 2.73Å; I18-Q22 WeakPolarHBondContact O-CB 3.5Å; I18-Q22 PolarHBondContact O-N 3.01Å
19E51.2Low47.5Very low135 Ų135115.8 Ų115.863%0.63163%0.627SS**Hα-helixtrans-60.6-33.9177.4-82-177.3169.300112.9Q15 Q22 S23Q15-E19 PolarHBondContact O-N 3.26Å; E19-Q22 CarbonylContact O-C 3.59Å; E19-Q22 PolarHBondContact O-N 3.29Å; E19-S23 PolarHBondContact O-N 3.22Å
20N49.3Very low47.1Very low113 Ų113113.7 Ų113.760%0.60462%0.623SS**Hα-helixtrans-74.8-29.6179.1-157.229.5000113.1S16 I18 Q22 S23 S24S16-N20 PolarHBondContact O-N 3.19Å; S16-N20 VanDerWaalsContact O-N 3.14Å; I18-N20 VanDerWaalsContact C-N 3.26Å; I18-N20 PolarHBondContact O-N 3.35Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; N20-S23 PolarHBondContact O-OG 3.48Å; N20-S24 PolarHBondContact O-OG 2.92Å
21V48.6Very low47Very low106 Ų106114.4 Ų114.464%0.64263%0.627SS**Hα-helixtrans-74.4-32.7168.3-176.80000109.7A17 I18 S24 Y25A17-V21 WeakPolarHBondContact O-CG2 3.39Å; A17-V21 PolarHBondContact O-N 3.23Å; I18-V21 PolarHBondContact O-N 2.73Å; V21-S24 PolarHBondContact O-N 3.14Å; V21-Y25 PolarHBondContact O-N 2.94Å
22Q49.3Very low46.9Very low101 Ų101116.6 Ų116.647%0.47263%0.627SS.*Hα-helixtrans-66.6-46.4179.5-145.1167.36.300110.5I18 E19 N20 S24 Y25I18-Q22 WeakPolarHBondContact O-CB 3.5Å; I18-Q22 PolarHBondContact O-N 3.01Å; E19-Q22 CarbonylContact O-C 3.59Å; E19-Q22 PolarHBondContact O-N 3.29Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; Q22-S24 PolarHBondContact O-N 3.47Å; Q22-Y25 VanDerWaalsContact C-CE1 3.41Å; Q22-Y25 VanDerWaalsContact CA-CD1 3.47Å; Q22-Y25 HydrophobicContact CB-CD1 4.42Å; Q22-Y25 HydrophobicContact CB-CE1 3.78Å; Q22-Y25 HydrophobicContact CG-CD1 4.14Å; Q22-Y25 HydrophobicContact CG-CE1 3.12Å; Q22-Y25 WeakPolarHBondContact CG-OH 3.25Å; Q22-Y25 PolarHBondContact NE2-OH 3.23Å; Q22-Y25 WeakPolarHBondContact O-CD1 3.14Å; Q22-Y25 WeakPolarHBondContact O-CE1 3.38Å; Q22-Y25 PolarHBondContact O-N 2.93Å
23S48.7Very low46.8Very low67 Ų67113.1 Ų113.147%0.46963%0.627SS.*Hα-helixtrans-63.7-27.8176.573.10000113.4E19 N20E19-S23 PolarHBondContact O-N 3.22Å; N20-S23 PolarHBondContact O-OG 3.48Å
24S48.7Very low47.2Very low76 Ų76115.3 Ų115.353%0.53163%0.632SS.*Hα-helixtrans-74.9-27.9-179.7-66.70000113.7N20 V21 Q22N20-S24 PolarHBondContact O-OG 2.92Å; V21-S24 PolarHBondContact O-N 3.14Å; Q22-S24 PolarHBondContact O-N 3.47Å
25Y40.6Very low47Very low100 Ų100119 Ų11939%0.39264%0.642SS.*Hα-helixtrans-83.1-25.5176.980.4-83.6000113.1V21 Q22V21-Y25 PolarHBondContact O-N 2.94Å; Q22-Y25 VanDerWaalsContact C-CE1 3.41Å; Q22-Y25 VanDerWaalsContact CA-CD1 3.47Å; Q22-Y25 HydrophobicContact CB-CD1 4.42Å; Q22-Y25 HydrophobicContact CB-CE1 3.78Å; Q22-Y25 HydrophobicContact CG-CD1 4.14Å; Q22-Y25 HydrophobicContact CG-CE1 3.12Å; Q22-Y25 WeakPolarHBondContact CG-OH 3.25Å; Q22-Y25 PolarHBondContact NE2-OH 3.23Å; Q22-Y25 WeakPolarHBondContact O-CD1 3.14Å; Q22-Y25 WeakPolarHBondContact O-CE1 3.38Å; Q22-Y25 PolarHBondContact O-N 2.93Å
26E47.3Very low46.9Very low135 Ų135116.2 Ų116.263%0.63163%0.634SS**Hα-helixtrans-75.7-31.4179.1-72.9-165.7159.700112.7S28E26-S28 VanDerWaalsContact C-N 3.29Å; E26-S28 PolarHBondContact O-N 2.89Å
27L44.7Very low46.9Very low155 Ų155116.6 Ų116.681%0.81263%0.63SS**THydrogen-bonded Turntrans-74.2-19.9179.8-141.784.1000113.5
28S42.7Very low47.2Very low103 Ų103118.9 Ų118.972%0.7264%0.64SS**THydrogen-bonded Turntrans-97-1.8-175.6-57.40000114.8E26 S30E26-S28 VanDerWaalsContact C-N 3.29Å; E26-S28 PolarHBondContact O-N 2.89Å; S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.63Å
29Q44.1Very low47.6Very low162 Ų162119.9 Ų119.976%0.75765%0.647SS**  trans-82.60.3176.2-81.1-170.14.800114.1Q31Q29-Q31 PolarHBondContact O-N 2.91Å
30S39.8Very low48Very low97 Ų97120.4 Ų120.468%0.67865%0.649SS**SBendtrans-77.391.6171.6175.60000111S28S28-S30 VanDerWaalsContact C-N 3.26Å; S28-S30 PolarHBondContact O-N 2.63Å
31Q41.3Very low48.2Very low181 Ų181122.8 Ų122.885%0.84665%0.651SS**SBendtrans62.957.2140.3-155.3-17938.100116.4Q29Q29-Q31 PolarHBondContact O-N 2.91Å
32E45.1Very low48.6Very low161 Ų161122.3 Ų122.375%0.75265%0.651SS**  trans-135.7113.5149.1-134.7169.1-174.100107.8I34E32-I34 HydrophobicContact CB-CD1 4.49Å; E32-I34 HydrophobicContact CB-CG1 4.06Å; E32-I34 PolarHBondContact O-N 3.43Å
33S43.9Very low49Very low122 Ų122126.9 Ų126.985%0.85366%0.664SS**  trans-63.172.1168.354.80000108Q35S33-Q35 PolarHBondContact O-N 3.49Å
34I52.6Low49.3Very low116 Ų116128.2 Ų128.260%0.59567%0.671SS**  trans-71.194.5174.5-61.2166.8000103.5E32 V36E32-I34 HydrophobicContact CB-CD1 4.49Å; E32-I34 HydrophobicContact CB-CG1 4.06Å; E32-I34 PolarHBondContact O-N 3.43Å; I34-V36 HydrophobicContact CG2-CG2 4.01Å; I34-V36 WeakPolarHBondContact O-CG2 3.47Å; I34-V36 PolarHBondContact O-N 3.42Å
35Q46.8Very low49.8Very low190 Ų190132.2 Ų132.289%0.88869%0.686SS**  trans-55.389.2158.1-110.9-178.4-20.100105.4S33 N37S33-Q35 PolarHBondContact O-N 3.49Å; Q35-N37 VanDerWaalsContact C-N 3.33Å; Q35-N37 PolarHBondContact O-N 2.9Å
36V49.7Very low50.7Low80 Ų80134.6 Ų134.649%0.48571%0.705SS.*  trans-63.9101.5179.1178.30000105.5I34 P38 Y41I34-V36 HydrophobicContact CG2-CG2 4.01Å; I34-V36 WeakPolarHBondContact O-CG2 3.47Å; I34-V36 PolarHBondContact O-N 3.42Å; V36-P38 WeakPolarHBondContact O-CD 3.33Å; V36-P38 VanDerWaalsContact O-N 3.15Å; V36-Y41 HydrophobicContact CG1-CD2 4.46Å; V36-Y41 HydrophobicContact CG1-CE2 3.68Å
37N50.4Low51Low86 Ų86134.2 Ų134.246%0.4671%0.706SS.*  trans-62.5118.3176.6-172-28.7000106.4Q35 N39 Q40Q35-N37 VanDerWaalsContact C-N 3.33Å; Q35-N37 PolarHBondContact O-N 2.9Å; N37-N39 PolarHBondContact O-N 3.31Å; N37-N39 WeakPolarHBondContact OD1-CB 3.35Å; N37-N39 PolarHBondContact OD1-N 2.93Å; N37-Q40 WeakPolarHBondContact O-CB 3.48Å; N37-Q40 PolarHBondContact O-N 2.93Å
38P56.2Low51.5Low105 Ų105131.9 Ų131.968%0.68270%0.701SS**G310 helixtrans-60.5-17.2-175.323.4-33.2000112.4V36 Q40V36-P38 WeakPolarHBondContact O-CD 3.33Å; V36-P38 VanDerWaalsContact O-N 3.15Å; P38-Q40 VanDerWaalsContact C-N 3.34Å
39N58.8Low51.9Low127 Ų127136.1 Ų136.168%0.67971%0.706SS**G310 helixtrans-82.3-9177.3-59.5-13.8000113.7N37 Y41 C42N37-N39 PolarHBondContact O-N 3.31Å; N37-N39 WeakPolarHBondContact OD1-CB 3.35Å; N37-N39 PolarHBondContact OD1-N 2.93Å; N39-Y41 VanDerWaalsContact C-N 3.27Å; N39-Y41 PolarHBondContact O-N 3.44Å; N39-C42 PolarHBondContact O-N 3.29Å
40Q60.2Low52.3Low146 Ų146133.2 Ų133.268%0.68270%0.701SS**G310 helixtrans-75.6-20.4-178.3-153.3170.71000112.2N37 P38 C42N37-Q40 WeakPolarHBondContact O-CB 3.48Å; N37-Q40 PolarHBondContact O-N 2.93Å; P38-Q40 VanDerWaalsContact C-N 3.34Å; Q40-C42 PolarHBondContact O-N 2.9Å
41Y52.1Low52.8Low162 Ų162135.2 Ų135.264%0.63570%0.703SS**  trans-88.960.4163.5-58.1-76.1000109.7V36 N39 W43V36-Y41 HydrophobicContact CG1-CD2 4.46Å; V36-Y41 HydrophobicContact CG1-CE2 3.68Å; N39-Y41 VanDerWaalsContact C-N 3.27Å; N39-Y41 PolarHBondContact O-N 3.44Å; Y41-W43 PolarHBondContact O-N 3.47Å
42C57.4Low53.2Low97 Ų97132.2 Ų132.266%0.65570%0.697SS**  trans-71.788.8160.3-166.40000106.1N39 Q40N39-C42 PolarHBondContact O-N 3.29Å; Q40-C42 PolarHBondContact O-N 2.9Å
43W57.5Low53.3Low197 Ų197130.9 Ų130.975%0.74669%0.692SS**  trans-50.9135.5168.5-64.690.1000107.6Y41 L45Y41-W43 PolarHBondContact O-N 3.47Å; W43-L45 PolarHBondContact O-N 3.25Å
44P55.5Low53.7Low95 Ų95132.7 Ų132.762%0.61769%0.692SS**  trans-52114.6177-21.630.9000108.1D46 I47P44-D46 PolarHBondContact O-N 3.41Å; P44-I47 PolarHBondContact O-N 2.89Å
45L60Low53.4Low160 Ų160130 Ų13084%0.83869%0.693SS**SBendtrans-61.9-7.6177.3-84.6148.8000112.1W43 I47W43-L45 PolarHBondContact O-N 3.25Å; L45-I47 PolarHBondContact O-N 3.28Å; L45-I47 VanDerWaalsContact O-N 3.11Å
46D58.2Low53.5Low149 Ų149126.7 Ų126.780%0.79768%0.681SS**  trans-81.542.7169.4-65.3-37.5000112.3P44 P48P44-D46 PolarHBondContact O-N 3.41Å; D46-P48 WeakPolarHBondContact O-CD 3.37Å; D46-P48 VanDerWaalsContact O-N 3.15Å
47I54.5Low53.5Low127 Ų127131.4 Ų131.465%0.65170%0.698SS**  trans-65.9113.5158.8-60.8166.9000104.5P44 L45 K49P44-I47 PolarHBondContact O-N 2.89Å; L45-I47 PolarHBondContact O-N 3.28Å; L45-I47 VanDerWaalsContact O-N 3.11Å; I47-K49 PolarHBondContact O-N 2.88Å
48P54.3Low53.5Low107 Ų107136.7 Ų136.770%0.69571%0.712SS**  trans-53.1123.3177.321.3-31000106.9D46D46-P48 WeakPolarHBondContact O-CD 3.37Å; D46-P48 VanDerWaalsContact O-N 3.15Å
49K51.5Low53.1Low191 Ų191135.2 Ų135.283%0.8371%0.708SS**  trans-38.7117.9177.5-128172.7-175.1172.70106.6I47 I51I47-K49 PolarHBondContact O-N 2.88Å; K49-I51 PolarHBondContact O-N 2.93Å
50P53Low52.4Low101 Ų101138.2 Ų138.266%0.65671%0.711SS**  trans-52.7124.3-178.320.3-30.7000105.6V52P50-V52 WeakPolarHBondContact O-CG2 3.24Å; P50-V52 PolarHBondContact O-N 3.4Å
51I49.2Very low52Low140 Ų140138.7 Ų138.772%0.71872%0.719SS**  trans-59.9100.6170.4-62.9166.8000102.7K49 M53K49-I51 PolarHBondContact O-N 2.93Å; I51-M53 HydrophobicContact CG2-CE 3.94Å; I51-M53 HydrophobicContact CG2-CG 4.21Å; I51-M53 HydrophobicContact CG2-SD 4.19Å; I51-M53 PolarHBondContact O-N 3.36Å
52V49.9Very low51.7Low118 Ų118139.3 Ų139.372%0.71573%0.729SS**  trans-66.386.6173.6-177.30000103.5P50 D54P50-V52 WeakPolarHBondContact O-CG2 3.24Å; P50-V52 PolarHBondContact O-N 3.4Å; V52-D54 PolarHBondContact O-N 2.91Å; V52-D54 VanDerWaalsContact O-N 3.15Å
53M48.4Very low51.4Low133 Ų133141.4 Ų141.466%0.65573%0.733SS**  trans-64.5110.4161.7-71.9-66.1-17500103.7I51 G55I51-M53 HydrophobicContact CG2-CE 3.94Å; I51-M53 HydrophobicContact CG2-CG 4.21Å; I51-M53 HydrophobicContact CG2-SD 4.19Å; I51-M53 PolarHBondContact O-N 3.36Å; M53-G55 PolarHBondContact O-N 3.48Å
54D51.6Low50.8Low159 Ų159139.2 Ų139.285%0.8574%0.736SS**THydrogen-bonded Turntrans-38.2111.6174.7-90.6-36000109.9V52V52-D54 PolarHBondContact O-N 2.91Å; V52-D54 VanDerWaalsContact O-N 3.15Å
55G46.7Very low50.3Low59 Ų59140.8 Ų140.861%0.60874%0.744SS**THydrogen-bonded Turntrans108.71.8161.700000118.4M53 E57M53-G55 PolarHBondContact O-N 3.48Å; G55-E57 PolarHBondContact O-N 3.41Å
56D47.6Very low49.6Very low122 Ų122137.3 Ų137.365%0.65273%0.733SS**  trans-88.237.8171.4-76.2-22.1000112.7W58D56-W58 PolarHBondContact O-N 3.34Å; D56-W58 PolarHBondContact O-NE1 2.88Å
57E50.8Low48.6Very low178 Ų178136.1 Ų136.183%0.83274%0.736SS**  trans-69.177.7161.5-73.4-178.9177.900108.4G55 A59G55-E57 PolarHBondContact O-N 3.41Å; E57-A59 HydrophobicContact CB-CB 4.45Å; E57-A59 PolarHBondContact O-N 3.03Å
58W50.5Low47.9Very low198 Ų198134.6 Ų134.675%0.7574%0.737SS**  trans-68.166.1140.930.3-83.9000106.7D56 Y60D56-W58 PolarHBondContact O-N 3.34Å; D56-W58 PolarHBondContact O-NE1 2.88Å; W58-Y60 HydrophobicContact CE3-CD2 4.44Å; W58-Y60 HydrophobicContact CE3-CE2 4.04Å; W58-Y60 PolarHBondContact O-N 3.33Å
59A46.6Very low47.2Very low74 Ų74134.2 Ų134.261%0.61274%0.737SS**  trans-61.299.6157.600000104.1E57 D61E57-A59 HydrophobicContact CB-CB 4.45Å; E57-A59 PolarHBondContact O-N 3.03Å; A59-D61 PolarHBondContact O-N 2.88Å
60Y44.4Very low46.6Very low190 Ų190130.2 Ų130.275%0.74573%0.733SS**  trans-47.4127.8155.9-75.7-88.8000105.1W58 M62W58-Y60 HydrophobicContact CE3-CD2 4.44Å; W58-Y60 HydrophobicContact CE3-CE2 4.04Å; W58-Y60 PolarHBondContact O-N 3.33Å; Y60-M62 PolarHBondContact O-N 3.44Å
61D52.2Low45.9Very low156 Ų156132 Ų13283%0.83474%0.744SS**  trans-54.589159-84.7-29.4000104.6A59 L63A59-D61 PolarHBondContact O-N 2.88Å; D61-L63 PolarHBondContact O-N 3.41Å
62M45.7Very low45.1Very low174 Ų174130.9 Ų130.986%0.85775%0.749SS**  trans-6188.7152.6-90.1-171.3-5600101.8Y60 D64Y60-M62 PolarHBondContact O-N 3.44Å; M62-D64 PolarHBondContact O-N 2.91Å
63L50.5Low44.4Very low142 Ų142130.1 Ų130.174%0.74375%0.749SS**  trans-27.9119.6151.2-76159.8000105.1D61 V65D61-L63 PolarHBondContact O-N 3.41Å; L63-V65 PolarHBondContact O-N 2.88Å
64D46.1Very low43.8Very low151 Ų151128.5 Ų128.581%0.80775%0.751SS**  trans-47.383.4166.3-75.7-50.3000107.3M62 S66M62-D64 PolarHBondContact O-N 2.91Å; D64-S66 PolarHBondContact O-N 3.27Å
65V45.4Very low43Very low127 Ų127131.8 Ų131.877%0.7775%0.751SS**  trans-74.869.2158.8-176.80000102.2L63 S67L63-V65 PolarHBondContact O-N 2.88Å; V65-S67 VanDerWaalsContact C-N 3.3Å; V65-S67 PolarHBondContact O-N 3.4Å
66S43.8Very low42.4Very low88 Ų88136.9 Ų136.962%0.61577%0.765SS**  trans-47.9110.2158.6-67.60000103.8D64 S68D64-S66 PolarHBondContact O-N 3.27Å; S66-S68 PolarHBondContact O-N 2.93Å
67S37.9Very low41.8Very low123 Ų123134.5 Ų134.586%0.8677%0.768SS**  trans-65.665.5-178.731.40000109.3V65 S69V65-S67 VanDerWaalsContact C-N 3.3Å; V65-S67 PolarHBondContact O-N 3.4Å; S67-S69 PolarHBondContact O-N 3.02Å
68S40.9Very low41.3Very low95 Ų95137.1 Ų137.166%0.66477%0.771SS**  trans-95.590.2166.662.50000107.8S66S66-S68 PolarHBondContact O-N 2.93Å
69S38.6Very low40.7Very low99 Ų99137.2 Ų137.269%0.69278%0.777SS**  trans42.4112132.460.90000117.8S67S67-S69 PolarHBondContact O-N 3.02Å
70S38.6Very low40.6Very low107 Ų107138.8 Ų138.875%0.74879%0.79SS**  trans84.8112.3140.6-53.40000117.3S72S70-S72 PolarHBondContact O-N 3.36Å
71P38.2Very low40.2Very low138 Ų138140.7 Ų140.790%0.89680%0.796SS**  trans-70.8100.3172.528.8-31.5000109.8S73P71-S73 PolarHBondContact O-N 3.38Å
72S32.9Very low39.5Very low118 Ų118138.2 Ų138.283%0.82579%0.791SS**  trans-75.4111.4161.161.80000108.1S70S70-S72 PolarHBondContact O-N 3.36Å
73S34.4Very low39.4Very low101 Ų101141 Ų14171%0.70679%0.792SS**  trans-55.3148.2175.151.80000113.3P71P71-S73 PolarHBondContact O-N 3.38Å
74S35.9Very low39.1Very low100 Ų100143.1 Ų143.170%0.69980%0.8SS**  trans53.4107.8144.758.40000119.2
75R35.5Very low39.2Very low228 Ų228140.7 Ų140.786%0.8679%0.791SS**  163.6110.7111.3-93.1170.1133.6174.7-4.8110.8G77R75-G77 PolarHBondContact O-N 2.87Å; R75-G77 VanDerWaalsContact O-N 3.1Å
76D34.6Very low39Very low166 Ų166141.4 Ų141.489%0.88879%0.791SS**  trans33.768.2135.5-60.9-40.9000117.4
77G34.2Very low39.3Very low71 Ų71141.2 Ų141.273%0.73279%0.794SS**  trans-118.179.1173.300000111.5R75R75-G77 PolarHBondContact O-N 2.87Å; R75-G77 VanDerWaalsContact O-N 3.1Å
78R39.7Very low39.9Very low233 Ų233144.4 Ų144.488%0.87979%0.792SS**  trans20.1110.1154.8-61.9178.3-168.2-170.42116.9A80R78-A80 PolarHBondContact O-N 3.49Å; R78-A80 VanDerWaalsContact O-N 3.09Å
79F38.8Very low40.2Very low200 Ų200148.7 Ų148.788%0.87780%0.799SS**  trans13.786.2146.1-69.8-87.1000115.6R81F79-R81 PolarHBondContact O-N 3.49Å
80A44.2Very low40.5Very low107 Ų107153.3 Ų153.388%0.88481%0.807SS**  trans-71.369.4157.500000108.8R78R78-A80 PolarHBondContact O-N 3.49Å; R78-A80 VanDerWaalsContact O-N 3.09Å
81R36.7Very low40.8Very low230 Ų230157.3 Ų157.387%0.86881%0.814SS**  trans-62.3134.3162.8-140.8179.2-167.9-157.63.6106.1F79F79-R81 PolarHBondContact O-N 3.49Å
82S37.7Very low41.1Very low105 Ų105153.1 Ų153.173%0.73480%0.795SS**  trans90.371.1168.5-143.80000117.2
83R43.4Very low41.6Very low232 Ų232153.2 Ų153.288%0.87580%0.796SS**  trans-124.666.2135.2-69.4-167.1-170.5-167.64.6109.5T85R83-T85 PolarHBondContact O-N 2.89Å
84M44.2Very low42.4Very low186 Ų186153.7 Ų153.792%0.91679%0.794SS**  trans-72.868.5154.5-73.4178.8130.100107.7
85T47Very low42.7Very low101 Ų101156.4 Ų156.462%0.6280%0.798SS**  trans-10993.6175.4510000108.5R83 A87R83-T85 PolarHBondContact O-N 2.89Å; T85-A87 PolarHBondContact O-N 2.78Å
86N43.1Very low43.2Very low142 Ų142154.2 Ų154.276%0.75979%0.79SS**  trans43.173.2148.3-65.6-58.9000115K88N86-K88 PolarHBondContact O-N 3.05Å
87A49.1Very low43.9Very low83 Ų83155.4 Ų155.469%0.68678%0.782SS**  trans-63.387.8148.700000106.4T85 F89T85-A87 PolarHBondContact O-N 2.78Å; A87-F89 VanDerWaalsContact C-N 3.25Å; A87-F89 WeakPolarHBondContact O-CD2 3.31Å; A87-F89 PolarHBondContact O-N 3.3Å
88K49.6Very low44.9Very low190 Ų190161 Ų16183%0.82679%0.786SS**  trans-60.9101.6163.5-77.2-175.6176.6179.20104.2N86 K90N86-K88 PolarHBondContact O-N 3.05Å; K88-K90 PolarHBondContact O-N 2.95Å
89F48.1Very low45.5Very low186 Ų186152 Ų15282%0.81677%0.766SS**  trans-58.490.7161.5-68.8-82.4000105.2A87 H91A87-F89 VanDerWaalsContact C-N 3.25Å; A87-F89 WeakPolarHBondContact O-CD2 3.31Å; A87-F89 PolarHBondContact O-N 3.3Å; F89-H91 VanDerWaalsContact C-N 3.33Å; F89-H91 PolarHBondContact O-N 2.78Å
90K45.7Very low46.2Very low196 Ų196145.4 Ų145.485%0.85274%0.742SS**  trans-50.7113.7159.7-153.8174.9-175-176.80101.4K88 G92K88-K90 PolarHBondContact O-N 2.95Å; K90-G92 PolarHBondContact O-N 3.32Å
91H44.8Very low46.8Very low191 Ų191143.2 Ų143.288%0.88471%0.713SS**  trans-60.477.9170.3-85.2-72.3000105.5F89 S93F89-H91 VanDerWaalsContact C-N 3.33Å; F89-H91 PolarHBondContact O-N 2.78Å; H91-S93 PolarHBondContact O-N 3.43Å
92G44.7Very low48.4Very low50 Ų50137.5 Ų137.552%0.51570%0.7SS.*  trans-51.1117.215800000102.2K90 V94K90-G92 PolarHBondContact O-N 3.32Å; G92-V94 WeakPolarHBondContact O-CG2 3.34Å; G92-V94 PolarHBondContact O-N 2.86Å
93S42.2Very low50.4Low119 Ų119138.9 Ų138.983%0.83269%0.689SS**  trans-51.688.7166.4177.80000104.9H91 M95H91-S93 PolarHBondContact O-N 3.43Å; S93-M95 PolarHBondContact O-N 3.03Å
94V50.8Low52.2Low111 Ų111132.4 Ų132.467%0.67367%0.669SS**  trans-68.890.2175.1172.20000102.1G92 R96G92-V94 WeakPolarHBondContact O-CG2 3.34Å; G92-V94 PolarHBondContact O-N 2.86Å; V94-R96 VanDerWaalsContact C-N 3.32Å; V94-R96 WeakPolarHBondContact O-CA 3.25Å; V94-R96 PolarHBondContact O-N 3.31Å
95M42.8Very low54.2Low158 Ų158130.1 Ų130.178%0.77865%0.654SS**  trans-11.495.6153.6-156.7163.7165.500106.8S93 R97S93-M95 PolarHBondContact O-N 3.03Å; M95-R97 VanDerWaalsContact C-N 3.33Å; M95-R97 PolarHBondContact O-N 3.09Å
96R46.5Very low56.2Low182 Ų182128.7 Ų128.769%0.68765%0.647SS**  trans-50.1105.6-171.1-83.8-165.2178.1-169.81.8106V94 K98 E101V94-R96 VanDerWaalsContact C-N 3.32Å; V94-R96 WeakPolarHBondContact O-CA 3.25Å; V94-R96 PolarHBondContact O-N 3.31Å; R96-K98 PolarHBondContact O-N 3.46Å; R96-E101 IonicContact NH1-OE1 3.03Å; R96-E101 PolarHBondContact NH1-OE1 2.9Å
97R49.8Very low58.4Low191 Ų191128.7 Ų128.772%0.72164%0.638SS**  trans-57.1122174.1-69.8-175.6-171.6159.51103.8M95 G99 T100M95-R97 VanDerWaalsContact C-N 3.33Å; M95-R97 PolarHBondContact O-N 3.09Å; R97-G99 PolarHBondContact O-N 3.2Å; R97-T100 HydrophobicContact CB-CG2 4.38Å; R97-T100 PolarHBondContact O-N 2.97Å; R97-T100 PolarHBondContact O-OG1 3.34Å; R97-T100 VanDerWaalsContact O-OG1 3.06Å
98K53.6Low60.5Low188 Ų188126.8 Ų126.882%0.81762%0.622SS**THydrogen-bonded Turntrans-52.4-13.6177.7-115.9163.3175172.20113.1R96R96-K98 PolarHBondContact O-N 3.46Å
99G52.2Low62.6Low44 Ų44124.4 Ų124.445%0.45461%0.612SS.*THydrogen-bonded Turntrans-89.9-4172.100000117R97 E101R97-G99 PolarHBondContact O-N 3.2Å; G99-E101 VanDerWaalsContact C-N 3.32Å
100T53.6Low64.9Low62 Ų62119.9 Ų119.938%0.3860%0.596SS.*SBendtrans-81.7-14.6169.857.60000112.5R97 D102 W103R97-T100 HydrophobicContact CB-CG2 4.38Å; R97-T100 PolarHBondContact O-N 2.97Å; R97-T100 PolarHBondContact O-OG1 3.34Å; R97-T100 VanDerWaalsContact O-OG1 3.06Å; T100-D102 VanDerWaalsContact C-N 3.34Å; T100-W103 PolarHBondContact O-NE1 3.49Å
101E57.9Low67.3Low60 Ų60115.5 Ų115.528%0.2858%0.58SS.*Hα-helixtrans-79.7-24.6178-57.2-169.5156.100110.7R96 G99 W103 Q104 F105R96-E101 IonicContact NH1-OE1 3.03Å; R96-E101 PolarHBondContact NH1-OE1 2.9Å; G99-E101 VanDerWaalsContact C-N 3.32Å; E101-W103 VanDerWaalsContact C-N 3.35Å; E101-W103 PolarHBondContact O-N 2.97Å; E101-Q104 WeakPolarHBondContact O-CB 3.43Å; E101-Q104 PolarHBondContact O-N 3.06Å; E101-Q104 VanDerWaalsContact O-N 3.09Å; E101-F105 HydrophobicContact CB-CD2 4.06Å; E101-F105 HydrophobicContact CB-CE2 3.81Å; E101-F105 WeakPolarHBondContact O-CD2 3.3Å; E101-F105 PolarHBondContact O-N 2.85Å
102D70.8Confident69.8Low110 Ų110111.3 Ų111.359%0.58856%0.563SS**Hα-helixtrans-59.5-40.9-178.4-64-28.3000113.1T100 F105 C106T100-D102 VanDerWaalsContact C-N 3.34Å; D102-F105 PolarHBondContact O-N 2.84Å; D102-C106 WeakPolarHBondContact O-CB 3.3Å; D102-C106 PolarHBondContact O-N 2.83Å
103W78.2Confident72.3Confident135 Ų135111.1 Ų111.151%0.51155%0.552SS.*Hα-helixtrans-70-37.9177.568.1-98.5000111.3T100 E101 C106 Y107T100-W103 PolarHBondContact O-NE1 3.49Å; E101-W103 VanDerWaalsContact C-N 3.35Å; E101-W103 PolarHBondContact O-N 2.97Å; W103-C106 WeakPolarHBondContact O-CB 3.5Å; W103-C106 PolarHBondContact O-N 2.83Å; W103-Y107 AromaticContact CE3-CD2 3.57Å; W103-Y107 HydrophobicContact CE3-CD2 3.57Å; W103-Y107 AromaticContact CE3-CE2 3.62Å; W103-Y107 HydrophobicContact CE3-CE2 3.62Å; W103-Y107 HydrophobicContact CZ3-CD2 4.12Å; W103-Y107 HydrophobicContact CZ3-CE2 4.25Å; W103-Y107 WeakPolarHBondContact O-CD2 3.4Å; W103-Y107 PolarHBondContact O-N 3.03Å
104Q82.4Confident74.9Confident96 Ų96109.4 Ų109.445%0.44954%0.537SS..Hα-helixtrans-63.9-42.8176.1-68-170.2-21.600111.5E101 C106 Y107 A108E101-Q104 WeakPolarHBondContact O-CB 3.43Å; E101-Q104 PolarHBondContact O-N 3.06Å; E101-Q104 VanDerWaalsContact O-N 3.09Å; Q104-C106 VanDerWaalsContact C-N 3.3Å; Q104-C106 PolarHBondContact O-N 2.72Å; Q104-Y107 PolarHBondContact O-N 2.73Å; Q104-A108 WeakPolarHBondContact O-CB 3.29Å; Q104-A108 PolarHBondContact O-N 2.64Å
105F86.2Confident77.2Confident138 Ų138107.1 Ų107.161%0.60553%0.525SS*.Hα-helixtrans-60.7-41173.2-77.7-65.7000111.6E101 D102 A108 F109E101-F105 HydrophobicContact CB-CD2 4.06Å; E101-F105 HydrophobicContact CB-CE2 3.81Å; E101-F105 WeakPolarHBondContact O-CD2 3.3Å; E101-F105 PolarHBondContact O-N 2.85Å; D102-F105 PolarHBondContact O-N 2.84Å; F105-A108 PolarHBondContact O-N 3.02Å; F105-F109 VanDerWaalsContact O-CB 3.31Å; F105-F109 WeakPolarHBondContact O-CB 3.4Å; F105-F109 PolarHBondContact O-N 2.7Å
106C87.3Confident79.8Confident71 Ų71103.9 Ų103.948%0.4851%0.514SS..Hα-helixtrans-60.2-49.3175.6-1720000111.7D102 W103 Q104 A108 F109 L110D102-C106 WeakPolarHBondContact O-CB 3.3Å; D102-C106 PolarHBondContact O-N 2.83Å; W103-C106 WeakPolarHBondContact O-CB 3.5Å; W103-C106 PolarHBondContact O-N 2.83Å; Q104-C106 VanDerWaalsContact C-N 3.3Å; Q104-C106 PolarHBondContact O-N 2.72Å; C106-A108 PolarHBondContact O-N 2.59Å; C106-F109 PolarHBondContact O-N 2.9Å; C106-L110 WeakPolarHBondContact O-CG 3.41Å; C106-L110 PolarHBondContact O-N 3.21Å
107Y90.9Very high82.2Confident142 Ų142101.3 Ų101.356%0.55751%0.513SS*.Hα-helixtrans-63.4-42.6176.2-74.9-74.7000112.5W103 Q104 F109 L110 I111W103-Y107 AromaticContact CE3-CD2 3.57Å; W103-Y107 HydrophobicContact CE3-CD2 3.57Å; W103-Y107 AromaticContact CE3-CE2 3.62Å; W103-Y107 HydrophobicContact CE3-CE2 3.62Å; W103-Y107 HydrophobicContact CZ3-CD2 4.12Å; W103-Y107 HydrophobicContact CZ3-CE2 4.25Å; W103-Y107 WeakPolarHBondContact O-CD2 3.4Å; W103-Y107 PolarHBondContact O-N 3.03Å; Q104-Y107 PolarHBondContact O-N 2.73Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 2.8Å; Y107-L110 PolarHBondContact O-N 2.87Å; Y107-I111 WeakPolarHBondContact O-CB 3.35Å; Y107-I111 VanDerWaalsContact O-CG1 3.24Å; Y107-I111 WeakPolarHBondContact O-CG1 3.27Å; Y107-I111 PolarHBondContact O-N 3.48Å
108A91.7Very high84.5Confident42 Ų4298.8 Ų98.835%0.34751%0.508SS..Hα-helixtrans-60.3-43.4177.200000111.2Q104 F105 C106 I111 I112Q104-A108 WeakPolarHBondContact O-CB 3.29Å; Q104-A108 PolarHBondContact O-N 2.64Å; F105-A108 PolarHBondContact O-N 3.02Å; C106-A108 PolarHBondContact O-N 2.59Å; A108-I111 PolarHBondContact O-N 2.95Å; A108-I112 WeakPolarHBondContact O-CB 3.25Å; A108-I112 WeakPolarHBondContact O-CD1 3.31Å; A108-I112 WeakPolarHBondContact O-CG1 3.46Å; A108-I112 PolarHBondContact O-N 2.82Å
109F95Very high86.6Confident141 Ų14194.8 Ų94.862%0.61849%0.494SS*.Hα-helixtrans-64.4-42.9177-173.2-98.2000112.2F105 C106 Y107 I111 I112 T113F105-F109 VanDerWaalsContact O-CB 3.31Å; F105-F109 WeakPolarHBondContact O-CB 3.4Å; F105-F109 PolarHBondContact O-N 2.7Å; C106-F109 PolarHBondContact O-N 2.9Å; Y107-F109 VanDerWaalsContact C-N 3.32Å; Y107-F109 PolarHBondContact O-N 2.8Å; F109-I111 PolarHBondContact O-N 3.29Å; F109-I112 PolarHBondContact O-N 3.22Å; F109-T113 HydrophobicContact CD1-CG2 4.07Å; F109-T113 HydrophobicContact CD2-CG2 4.49Å; F109-T113 HydrophobicContact CE1-CG2 3.68Å; F109-T113 HydrophobicContact CE2-CG2 4.14Å; F109-T113 HydrophobicContact CG-CG2 4.46Å; F109-T113 HydrophobicContact CZ-CG2 3.73Å; F109-T113 WeakPolarHBondContact O-CB 3.35Å; F109-T113 VanDerWaalsContact O-CG2 3.29Å; F109-T113 WeakPolarHBondContact O-CG2 3.32Å; F109-T113 PolarHBondContact O-N 2.88Å; F109-T113 PolarHBondContact O-OG1 2.97Å
110L95.8Very high88.7Confident91 Ų9195.5 Ų95.548%0.47650%0.495SS..Hα-helixtrans-63-40.9175.7-70.9174.5000112C106 Y107 T113 T114C106-L110 WeakPolarHBondContact O-CG 3.41Å; C106-L110 PolarHBondContact O-N 3.21Å; Y107-L110 PolarHBondContact O-N 2.87Å; L110-T113 WeakPolarHBondContact CA-OG1 3.4Å; L110-T113 PolarHBondContact O-OG1 3.36Å; L110-T113 VanDerWaalsContact O-OG1 3.05Å; L110-T114 WeakPolarHBondContact O-CB 3.17Å; L110-T114 VanDerWaalsContact O-CG2 3.25Å; L110-T114 WeakPolarHBondContact O-CG2 3.42Å; L110-T114 PolarHBondContact O-N 2.96Å; L110-T114 PolarHBondContact O-OG1 3.01Å
111I96.5Very high90.8Very high103 Ų10394 Ų9453%0.52849%0.493SS..Hα-helixtrans-66.4-47.6176.6-68.3165.5000110.4Y107 A108 F109 T113 T114 C115Y107-I111 WeakPolarHBondContact O-CB 3.35Å; Y107-I111 VanDerWaalsContact O-CG1 3.24Å; Y107-I111 WeakPolarHBondContact O-CG1 3.27Å; Y107-I111 PolarHBondContact O-N 3.48Å; A108-I111 PolarHBondContact O-N 2.95Å; F109-I111 PolarHBondContact O-N 3.29Å; I111-T113 PolarHBondContact O-N 3.17Å; I111-T114 WeakPolarHBondContact CA-OG1 3.34Å; I111-T114 PolarHBondContact O-N 3.15Å; I111-T114 PolarHBondContact O-OG1 2.74Å; I111-C115 WeakPolarHBondContact O-CB 3.24Å; I111-C115 PolarHBondContact O-N 2.98Å; I111-C115 PolarHBondContact O-SG 2.74Å
112I96.6Very high92.6Very high104 Ų10494.7 Ų94.753%0.53350%0.498SS..Hα-helixtrans-60.8-46.9179.7-68.9163.5000110.7A108 F109 C115 V116A108-I112 WeakPolarHBondContact O-CB 3.25Å; A108-I112 WeakPolarHBondContact O-CD1 3.31Å; A108-I112 WeakPolarHBondContact O-CG1 3.46Å; A108-I112 PolarHBondContact O-N 2.82Å; F109-I112 PolarHBondContact O-N 3.22Å; I112-C115 PolarHBondContact O-N 3.11Å; I112-V116 HydrophobicContact CG2-CG2 4.46Å; I112-V116 VanDerWaalsContact O-CG2 3.3Å; I112-V116 WeakPolarHBondContact O-CG2 3.47Å; I112-V116 PolarHBondContact O-N 3.05Å
113T97Very high93.8Very high46 Ų4693.4 Ų93.428%0.28249%0.494SS..Hα-helixtrans-64.7-42.7-179.250.10000112.1F109 L110 I111 V116 L117F109-T113 HydrophobicContact CD1-CG2 4.07Å; F109-T113 HydrophobicContact CD2-CG2 4.49Å; F109-T113 HydrophobicContact CE1-CG2 3.68Å; F109-T113 HydrophobicContact CE2-CG2 4.14Å; F109-T113 HydrophobicContact CG-CG2 4.46Å; F109-T113 HydrophobicContact CZ-CG2 3.73Å; F109-T113 WeakPolarHBondContact O-CB 3.35Å; F109-T113 VanDerWaalsContact O-CG2 3.29Å; F109-T113 WeakPolarHBondContact O-CG2 3.32Å; F109-T113 PolarHBondContact O-N 2.88Å; F109-T113 PolarHBondContact O-OG1 2.97Å; L110-T113 WeakPolarHBondContact CA-OG1 3.4Å; L110-T113 PolarHBondContact O-OG1 3.36Å; L110-T113 VanDerWaalsContact O-OG1 3.05Å; I111-T113 PolarHBondContact O-N 3.17Å; T113-V116 PolarHBondContact O-N 2.63Å; T113-L117 WeakPolarHBondContact O-CG 3.08Å; T113-L117 PolarHBondContact O-N 2.77Å
114T97.2Very high94.7Very high83 Ų8393.2 Ų93.251%0.50950%0.497SS..Hα-helixtrans-65.2-40.3174.952.60000112.3L110 I111 L117 F118L110-T114 WeakPolarHBondContact O-CB 3.17Å; L110-T114 VanDerWaalsContact O-CG2 3.25Å; L110-T114 WeakPolarHBondContact O-CG2 3.42Å; L110-T114 PolarHBondContact O-N 2.96Å; L110-T114 PolarHBondContact O-OG1 3.01Å; I111-T114 WeakPolarHBondContact CA-OG1 3.34Å; I111-T114 PolarHBondContact O-N 3.15Å; I111-T114 PolarHBondContact O-OG1 2.74Å; T114-L117 PolarHBondContact O-N 2.58Å; T114-F118 VanDerWaalsContact O-CB 3.27Å; T114-F118 WeakPolarHBondContact O-CB 3.4Å; T114-F118 PolarHBondContact O-N 2.73Å
115C98.2Very high95.2Very high63 Ų6393.4 Ų93.443%0.42650%0.5SS..Hα-helixtrans-60.5-44.5173.4-74.90000112.2I111 I112 F118 I119I111-C115 WeakPolarHBondContact O-CB 3.24Å; I111-C115 PolarHBondContact O-N 2.98Å; I111-C115 PolarHBondContact O-SG 2.74Å; I112-C115 PolarHBondContact O-N 3.11Å; C115-F118 PolarHBondContact O-N 2.8Å; C115-I119 WeakPolarHBondContact O-CB 3.09Å; C115-I119 VanDerWaalsContact O-CG1 3.25Å; C115-I119 WeakPolarHBondContact O-CG1 3.37Å; C115-I119 PolarHBondContact O-N 2.91Å
116V97.8Very high95.5Very high90 Ų9091.5 Ų91.555%0.54550%0.495SS..Hα-helixtrans-63-45.5178.3170.90000111.1I112 T113 F118 I119 A120I112-V116 HydrophobicContact CG2-CG2 4.46Å; I112-V116 VanDerWaalsContact O-CG2 3.3Å; I112-V116 WeakPolarHBondContact O-CG2 3.47Å; I112-V116 PolarHBondContact O-N 3.05Å; T113-V116 PolarHBondContact O-N 2.63Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 3.01Å; V116-I119 PolarHBondContact O-N 2.73Å; V116-A120 WeakPolarHBondContact O-CB 3.44Å; V116-A120 PolarHBondContact O-N 3.11Å
117L97.3Very high95.5Very high128 Ų12890.8 Ų90.867%0.6749%0.488SS*.Hα-helixtrans-63.9-39.5177.1-69.5174.5000112T113 T114 A120 G121T113-L117 WeakPolarHBondContact O-CG 3.08Å; T113-L117 PolarHBondContact O-N 2.77Å; T114-L117 PolarHBondContact O-N 2.58Å; L117-A120 PolarHBondContact O-N 3.38Å; L117-G121 PolarHBondContact O-N 3.47Å
118F98.2Very high95.4Very high138 Ų13888.2 Ų88.261%0.60548%0.481SS*.Hα-helixtrans-64.3-46.6176.8-176.8-105.9000111.6T114 C115 V116 G121 L122T114-F118 VanDerWaalsContact O-CB 3.27Å; T114-F118 WeakPolarHBondContact O-CB 3.4Å; T114-F118 PolarHBondContact O-N 2.73Å; C115-F118 PolarHBondContact O-N 2.8Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 3.01Å; F118-G121 PolarHBondContact O-N 2.85Å; F118-L122 HydrophobicContact CD1-CD1 3.9Å; F118-L122 HydrophobicContact CD1-CG 4.38Å; F118-L122 HydrophobicContact CE1-CD1 3.41Å; F118-L122 VanDerWaalsContact CE1-CD1 3.41Å; F118-L122 HydrophobicContact CE1-CG 4.08Å; F118-L122 HydrophobicContact CZ-CD1 3.84Å; F118-L122 HydrophobicContact CZ-CD2 4.25Å; F118-L122 HydrophobicContact CZ-CG 4.15Å; F118-L122 WeakPolarHBondContact O-CG 3.49Å; F118-L122 PolarHBondContact O-N 2.83Å
119I97.2Very high95Very high104 Ų10488.9 Ų88.953%0.53348%0.481SS..Hα-helixtrans-62.6-45.3176.6-66.8165.4000110.6C115 V116 G121 L122 V123C115-I119 WeakPolarHBondContact O-CB 3.09Å; C115-I119 VanDerWaalsContact O-CG1 3.25Å; C115-I119 WeakPolarHBondContact O-CG1 3.37Å; C115-I119 PolarHBondContact O-N 2.91Å; V116-I119 PolarHBondContact O-N 2.73Å; I119-G121 VanDerWaalsContact C-N 3.31Å; I119-G121 PolarHBondContact O-N 3.09Å; I119-L122 PolarHBondContact O-N 2.99Å; I119-V123 HydrophobicContact CG2-CG2 4.45Å; I119-V123 WeakPolarHBondContact O-CG2 3.5Å; I119-V123 PolarHBondContact O-N 2.96Å
120A96.8Very high94.3Very high58 Ų5887.5 Ų87.548%0.47948%0.477SS..Hα-helixtrans-60-41.6176.400000111.9V116 L117 V123 F124V116-A120 WeakPolarHBondContact O-CB 3.44Å; V116-A120 PolarHBondContact O-N 3.11Å; L117-A120 PolarHBondContact O-N 3.38Å; A120-V123 PolarHBondContact O-N 3.17Å; A120-F124 WeakPolarHBondContact O-CB 3.48Å; A120-F124 PolarHBondContact O-N 3.37Å
121G97.3Very high93.3Very high31 Ų3190.6 Ų90.632%0.3248%0.483SS..Hα-helixtrans-62.8-44174.600000112.9L117 F118 I119 F124 I125L117-G121 PolarHBondContact O-N 3.47Å; F118-G121 PolarHBondContact O-N 2.85Å; I119-G121 VanDerWaalsContact C-N 3.31Å; I119-G121 PolarHBondContact O-N 3.09Å; G121-F124 PolarHBondContact O-N 3.49Å; G121-I125 VanDerWaalsContact O-CG1 3.3Å; G121-I125 WeakPolarHBondContact O-CG1 3.44Å; G121-I125 PolarHBondContact O-N 3.1Å
122L96.9Very high92Very high75 Ų7592.6 Ų92.639%0.39349%0.49SS..Hα-helixtrans-62.5-44.8175.3-72.1-179.6000112F118 I119 F124 I125 I126F118-L122 HydrophobicContact CD1-CD1 3.9Å; F118-L122 HydrophobicContact CD1-CG 4.38Å; F118-L122 HydrophobicContact CE1-CD1 3.41Å; F118-L122 VanDerWaalsContact CE1-CD1 3.41Å; F118-L122 HydrophobicContact CE1-CG 4.08Å; F118-L122 HydrophobicContact CZ-CD1 3.84Å; F118-L122 HydrophobicContact CZ-CD2 4.25Å; F118-L122 HydrophobicContact CZ-CG 4.15Å; F118-L122 WeakPolarHBondContact O-CG 3.49Å; F118-L122 PolarHBondContact O-N 2.83Å; I119-L122 PolarHBondContact O-N 2.99Å; L122-F124 VanDerWaalsContact C-N 3.3Å; L122-F124 PolarHBondContact O-N 3.47Å; L122-I125 PolarHBondContact O-N 2.9Å; L122-I126 WeakPolarHBondContact O-CB 3.44Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 2.96Å
123V95.6Very high90.5Very high83 Ų8394.4 Ų94.450%0.50349%0.494SS..Hα-helixtrans-60.3-43.4175.9171.80000110.3I119 A120 I126 T127I119-V123 HydrophobicContact CG2-CG2 4.45Å; I119-V123 WeakPolarHBondContact O-CG2 3.5Å; I119-V123 PolarHBondContact O-N 2.96Å; A120-V123 PolarHBondContact O-N 3.17Å; V123-I126 PolarHBondContact O-N 3.29Å; V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 PolarHBondContact O-N 3.18Å; V123-T127 PolarHBondContact O-OG1 3.31Å
124F96Very high88.6Confident130 Ų13095 Ų9557%0.5750%0.501SS*.Hα-helixtrans-60.5-47.9176.6-177-99.1000112.1A120 G121 L122 I126 T127 Q128A120-F124 WeakPolarHBondContact O-CB 3.48Å; A120-F124 PolarHBondContact O-N 3.37Å; G121-F124 PolarHBondContact O-N 3.49Å; L122-F124 VanDerWaalsContact C-N 3.3Å; L122-F124 PolarHBondContact O-N 3.47Å; F124-I126 PolarHBondContact O-N 3.32Å; F124-T127 PolarHBondContact O-N 3.28Å; F124-Q128 HydrophobicContact CD1-CG 4.18Å; F124-Q128 HydrophobicContact CE1-CG 3.85Å; F124-Q128 HydrophobicContact CE2-CG 4.47Å; F124-Q128 HydrophobicContact CZ-CG 4.02Å; F124-Q128 WeakPolarHBondContact O-CG 3.18Å; F124-Q128 PolarHBondContact O-N 3.05Å
125I93.6Very high86.7Confident101 Ų10193.1 Ų93.152%0.51850%0.497SS..Hα-helixtrans-60.5-48.1177.9-67.3165000110.7G121 L122 T127 Q128 T129G121-I125 VanDerWaalsContact O-CG1 3.3Å; G121-I125 WeakPolarHBondContact O-CG1 3.44Å; G121-I125 PolarHBondContact O-N 3.1Å; L122-I125 PolarHBondContact O-N 2.9Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 2.82Å; I125-Q128 PolarHBondContact O-N 3.37Å; I125-T129 HydrophobicContact CG2-CG2 4.4Å; I125-T129 VanDerWaalsContact O-CG2 3.31Å; I125-T129 WeakPolarHBondContact O-CG2 3.48Å; I125-T129 PolarHBondContact O-N 3.48Å
126I91.5Very high84.6Confident98 Ų9895.1 Ų95.150%0.50351%0.507SS..Hα-helixtrans-58.5-44.3177.9-68.1165.2000110.1L122 V123 F124 Q128 T129 Q130L122-I126 WeakPolarHBondContact O-CB 3.44Å; L122-I126 VanDerWaalsContact O-CG1 3.24Å; L122-I126 WeakPolarHBondContact O-CG1 3.48Å; L122-I126 PolarHBondContact O-N 2.96Å; V123-I126 PolarHBondContact O-N 3.29Å; F124-I126 PolarHBondContact O-N 3.32Å; I126-Q128 PolarHBondContact O-N 3.49Å; I126-T129 PolarHBondContact O-N 3.14Å; I126-T129 PolarHBondContact O-OG1 3.5Å; I126-Q130 WeakPolarHBondContact O-CG 3.43Å; I126-Q130 PolarHBondContact O-N 3.21Å
127T89Confident82.5Confident55 Ų5599.4 Ų99.434%0.33752%0.518SS..Hα-helixtrans-63-44.1179.9-50.90000110.9V123 F124 I125 T129 Q130 Y131V123-T127 WeakPolarHBondContact O-CB 3.36Å; V123-T127 PolarHBondContact O-N 3.18Å; V123-T127 PolarHBondContact O-OG1 3.31Å; F124-T127 PolarHBondContact O-N 3.28Å; I125-T127 VanDerWaalsContact C-N 3.27Å; I125-T127 PolarHBondContact O-N 2.82Å; T127-T129 PolarHBondContact O-N 3.21Å; T127-Q130 PolarHBondContact O-N 3.28Å; T127-Y131 HydrophobicContact CG2-CD2 3.73Å; T127-Y131 HydrophobicContact CG2-CE2 3.27Å; T127-Y131 WeakPolarHBondContact O-CD2 3.34Å; T127-Y131 PolarHBondContact O-N 3.19Å
128Q88Confident80.5Confident88 Ų88104.2 Ų104.241%0.41153%0.528SS..Hα-helixtrans-60.6-44.2174.8-68.9-65.3-0.500112.1F124 I125 I126 Q130 Y131 E132F124-Q128 HydrophobicContact CD1-CG 4.18Å; F124-Q128 HydrophobicContact CE1-CG 3.85Å; F124-Q128 HydrophobicContact CE2-CG 4.47Å; F124-Q128 HydrophobicContact CZ-CG 4.02Å; F124-Q128 WeakPolarHBondContact O-CG 3.18Å; F124-Q128 PolarHBondContact O-N 3.05Å; I125-Q128 PolarHBondContact O-N 3.37Å; I126-Q128 PolarHBondContact O-N 3.49Å; Q128-Q130 VanDerWaalsContact C-N 3.25Å; Q128-Q130 PolarHBondContact O-N 3.15Å; Q128-Y131 PolarHBondContact O-N 3.37Å; Q128-Y131 VanDerWaalsContact O-N 3.14Å; Q128-E132 PolarHBondContact O-N 2.84Å
129T84.3Confident78.3Confident56 Ų56102.5 Ų102.534%0.34453%0.533SS..Hα-helixtrans-64.2-30.6178.365.40000112.8I125 I126 T127 K133I125-T129 HydrophobicContact CG2-CG2 4.4Å; I125-T129 VanDerWaalsContact O-CG2 3.31Å; I125-T129 WeakPolarHBondContact O-CG2 3.48Å; I125-T129 PolarHBondContact O-N 3.48Å; I126-T129 PolarHBondContact O-N 3.14Å; I126-T129 PolarHBondContact O-OG1 3.5Å; T127-T129 PolarHBondContact O-N 3.21Å; T129-K133 WeakPolarHBondContact O-CB 3.33Å; T129-K133 VanDerWaalsContact O-CG 3.25Å; T129-K133 WeakPolarHBondContact O-CG 3.4Å; T129-K133 PolarHBondContact O-N 3.43Å
130Q79.6Confident75.8Confident113 Ų113109.2 Ų109.253%0.52857%0.565SS.*Hα-helixtrans-75.7-37.3174.5-68.8-71.115.100111.6I126 T127 Q128 K133 S134I126-Q130 WeakPolarHBondContact O-CG 3.43Å; I126-Q130 PolarHBondContact O-N 3.21Å; T127-Q130 PolarHBondContact O-N 3.28Å; Q128-Q130 VanDerWaalsContact C-N 3.25Å; Q128-Q130 PolarHBondContact O-N 3.15Å; Q130-K133 PolarHBondContact O-N 3.31Å; Q130-S134 WeakPolarHBondContact O-CB 3.42Å; Q130-S134 PolarHBondContact O-N 3.19Å; Q130-S134 PolarHBondContact O-OG 3.29Å
131Y74Confident74.8Confident156 Ų156111.8 Ų111.861%0.61257%0.569SS**Hα-helixtrans-64.5-41174-78.2-57.8000112.1T127 Q128 S134 G135T127-Y131 HydrophobicContact CG2-CD2 3.73Å; T127-Y131 HydrophobicContact CG2-CE2 3.27Å; T127-Y131 WeakPolarHBondContact O-CD2 3.34Å; T127-Y131 PolarHBondContact O-N 3.19Å; Q128-Y131 PolarHBondContact O-N 3.37Å; Q128-Y131 VanDerWaalsContact O-N 3.14Å; Y131-S134 WeakPolarHBondContact CA-OG 2.81Å; Y131-S134 PolarHBondContact O-N 2.96Å; Y131-S134 PolarHBondContact O-OG 3.18Å; Y131-G135 WeakPolarHBondContact O-CA 3.35Å; Y131-G135 PolarHBondContact O-N 3.31Å
132E70.3Confident73.6Confident145 Ų145116 Ų11668%0.67858%0.582SS**Hα-helixtrans-63.7-46.4174.2-72.1-165.5154.100111.6Q128 S134 G135 V136Q128-E132 PolarHBondContact O-N 2.84Å; E132-S134 VanDerWaalsContact C-N 3.34Å; E132-S134 PolarHBondContact O-N 2.9Å; E132-G135 PolarHBondContact O-N 2.75Å; E132-V136 WeakPolarHBondContact O-CG2 2.84Å; E132-V136 PolarHBondContact O-N 2.85Å
133K64.2Low72.3Confident141 Ų141118.3 Ų118.361%0.61359%0.593SS**Hα-helixtrans-63.8-36.3178.9-74173.8-176.5177.20113.3T129 Q130T129-K133 WeakPolarHBondContact O-CB 3.33Å; T129-K133 VanDerWaalsContact O-CG 3.25Å; T129-K133 WeakPolarHBondContact O-CG 3.4Å; T129-K133 PolarHBondContact O-N 3.43Å; Q130-K133 PolarHBondContact O-N 3.31Å
134S58.2Low70.9Confident60 Ų60120.4 Ų120.442%0.4260%0.598SS.*Hα-helixtrans-82.3-30.7178.854.20000112.9Q130 Y131 E132 K137Q130-S134 WeakPolarHBondContact O-CB 3.42Å; Q130-S134 PolarHBondContact O-N 3.19Å; Q130-S134 PolarHBondContact O-OG 3.29Å; Y131-S134 WeakPolarHBondContact CA-OG 2.81Å; Y131-S134 PolarHBondContact O-N 2.96Å; Y131-S134 PolarHBondContact O-OG 3.18Å; E132-S134 VanDerWaalsContact C-N 3.34Å; E132-S134 PolarHBondContact O-N 2.9Å; S134-K137 PolarHBondContact O-N 2.86Å
135G56.7Low69.4Low42 Ų42119.8 Ų119.843%0.43360%0.6SS.*Hα-helixtrans-63-41.9174.400000112.5Y131 E132 K137 R138Y131-G135 WeakPolarHBondContact O-CA 3.35Å; Y131-G135 PolarHBondContact O-N 3.31Å; E132-G135 PolarHBondContact O-N 2.75Å; G135-K137 VanDerWaalsContact C-N 3.26Å; G135-K137 PolarHBondContact O-N 2.72Å; G135-R138 PolarHBondContact O-N 3.44Å
136V53.5Low67.7Low105 Ų105121 Ų12164%0.63661%0.606SS**Hα-helixtrans-61.9-33.2177.2174.60000112E132 R138 S139E132-V136 WeakPolarHBondContact O-CG2 2.84Å; E132-V136 PolarHBondContact O-N 2.85Å; V136-R138 VanDerWaalsContact C-N 3.28Å; V136-R138 PolarHBondContact O-N 3.39Å; V136-S139 PolarHBondContact O-N 3.05Å
137K54.6Low66Low180 Ų180122.6 Ų122.678%0.78361%0.613SS**THydrogen-bonded Turntrans-71.6-16.8179.6-70.3-172.4179.5-174.50114.4S134 G135S134-K137 PolarHBondContact O-N 2.86Å; G135-K137 VanDerWaalsContact C-N 3.26Å; G135-K137 PolarHBondContact O-N 2.72Å
138R55.5Low64.3Low229 Ų229127.8 Ų127.886%0.86463%0.634SS**THydrogen-bonded Turntrans-91.1-9.2178-74.7-171-165.9161.15.2114G135 V136G135-R138 PolarHBondContact O-N 3.44Å; V136-R138 VanDerWaalsContact C-N 3.28Å; V136-R138 PolarHBondContact O-N 3.39Å
139S51.4Low62.3Low103 Ų103131.2 Ų131.272%0.7265%0.653SS**  trans-101.512.8-178.497.40000114.4V136V136-S139 PolarHBondContact O-N 3.05Å
140M45.2Very low60.3Low244 Ų244138 Ų138100%1.20268%0.681SS**  trans-108.70169.8-90.3-173.9134.300110.8

Retrieved 140 of 140 residues in 58.3 ms (Link to these results)