A0A077YXP5_TRITR Loading...

Nascent polypeptide-associated complex subunit alpha-like UBA domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YXP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 112 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
1M43.3Very low46.7Very low236 Ų236159.4 Ų159.4100%1.16383%0.834SS**  0112.80-65.2168.4174.400103.7
2E46.6Very low46.4Very low186 Ų186156.3 Ų156.387%0.86981%0.812SS**  cis-157167.531.1-102.1154.913500110.2
3N49.8Very low46.5Very low146 Ų146152.2 Ų152.278%0.78182%0.815SS**  trans-73.2140.1-161.1-63.2-35000114.4S5N3-S5 PolarHBondContact O-N 2.79Å
4N47.3Very low46.5Very low164 Ų164152 Ų15288%0.87781%0.807SS**  trans-80.895158.9-172.828.6000108
5S54.9Low46.6Very low85 Ų85151.4 Ų151.459%0.59480%0.804SS**  trans-91.5114.2174.6-46.70000109N3 E7N3-S5 PolarHBondContact O-N 2.79Å; S5-E7 PolarHBondContact O-N 2.98Å; S5-E7 VanDerWaalsContact O-N 3.15Å
6N46.3Very low47Very low157 Ų157156.8 Ų156.884%0.8481%0.81SS**  trans-49.4112.2156.3-94.4-4.6000108.6
7E50.3Low47.6Very low186 Ų186157.7 Ų157.787%0.86981%0.806SS**  trans-99.2119.4162.2-80.1-179.1178.100108.5S5S5-E7 PolarHBondContact O-N 2.98Å; S5-E7 VanDerWaalsContact O-N 3.15Å
8E43.3Very low48.1Very low184 Ų184156.3 Ų156.386%0.8681%0.809SS**  trans-58.4127.2-174.8-63.4165.6154.300109.4E10E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 3.22Å
9A45.4Very low48.4Very low93 Ų93156.5 Ų156.577%0.76981%0.811SS**  trans-65.492.2172.400000109I11A9-I11 PolarHBondContact O-N 3.27Å
10E41.7Very low48.7Very low154 Ų154153.4 Ų153.472%0.7280%0.799SS**  trans-61.599.8166-165.2176.9-148.200107.9E8 Q12E8-E10 VanDerWaalsContact C-N 3.28Å; E8-E10 PolarHBondContact O-N 3.22Å; E10-Q12 HydrophobicContact CG-CG 4.18Å; E10-Q12 PolarHBondContact O-N 2.86Å; E10-Q12 PolarHBondContact OE2-NE2 3.28Å; E10-Q12 VanDerWaalsContact OE2-NE2 3.15Å
11I44.7Very low49.1Very low162 Ų162155.9 Ų155.983%0.83181%0.807SS**  trans-73.983.3174-56.5174.7000106.7A9 A13A9-I11 PolarHBondContact O-N 3.27Å; I11-A13 PolarHBondContact O-N 2.88Å
12Q42.9Very low50.1Low122 Ų122152.6 Ų152.657%0.5779%0.786SS**  trans-65.1116.7168-70.9177.321.800108.3E10 E14E10-Q12 HydrophobicContact CG-CG 4.18Å; E10-Q12 PolarHBondContact O-N 2.86Å; E10-Q12 PolarHBondContact OE2-NE2 3.28Å; E10-Q12 VanDerWaalsContact OE2-NE2 3.15Å; Q12-E14 HydrophobicContact CB-CG 4.45Å; Q12-E14 PolarHBondContact O-N 3.33Å
13A47.8Very low51.3Low104 Ų104152.7 Ų152.786%0.8679%0.786SS**  trans-68.873.1168.300000109I11 D15I11-A13 PolarHBondContact O-N 2.88Å; A13-D15 PolarHBondContact O-N 3.06Å
14E47.1Very low52.6Low149 Ų149150.2 Ų150.270%0.69677%0.773SS**  trans-72.9120.8173.9-88.5-98.6149.900109.8Q12 R16Q12-E14 HydrophobicContact CB-CG 4.45Å; Q12-E14 PolarHBondContact O-N 3.33Å; E14-R16 PolarHBondContact O-N 2.79Å
15D47.4Very low54.1Low143 Ų143147.8 Ų147.877%0.76577%0.768SS**  trans-33.697.7167-82.6-48000113A13 K17A13-D15 PolarHBondContact O-N 3.06Å; D15-K17 PolarHBondContact O-N 3.05Å
16R53.3Low55.5Low238 Ų238144.9 Ų144.990%0.89875%0.752SS**  trans-7380.3169.6-67.9-173-177.8-178.42.3109.9E14E14-R16 PolarHBondContact O-N 2.79Å
17K57.5Low57.4Low172 Ų172139.8 Ų139.875%0.74873%0.731SS**  trans-54.3133.5164.4-69.9174.8-177172.70109D15 L19D15-K17 PolarHBondContact O-N 3.05Å; K17-L19 PolarHBondContact O-N 3.42Å; K17-L19 VanDerWaalsContact O-N 3.08Å
18P55.5Low58.9Low132 Ų132132.7 Ų132.786%0.85771%0.705SS**  trans-68.6112.3-169.623.8-30.7000111.5T20P18-T20 PolarHBondContact O-N 3.08Å
19L54.5Low61Low160 Ų160128.4 Ų128.484%0.83869%0.688SS**  trans-70.1110.4168.7-77.3158.8000109.3K17K17-L19 PolarHBondContact O-N 3.42Å; K17-L19 VanDerWaalsContact O-N 3.08Å
20T55.3Low63.1Low95 Ų95130 Ų13058%0.58368%0.683SS**SBendtrans70.9126.2158.872.50000117.2P18 K22P18-T20 PolarHBondContact O-N 3.08Å; T20-K22 VanDerWaalsContact C-N 3.28Å; T20-K22 PolarHBondContact O-N 2.83Å
21H55.6Low65.1Low206 Ų206129 Ų12995%0.95468%0.678SS**  trans-62.977.5174.2-70.921.4000112.3
22K65Low67.1Low167 Ų167127.3 Ų127.373%0.72667%0.665SS**  trans-121.7133.4168.8-63-178.5-178.3179.10106.6T20 D24T20-K22 VanDerWaalsContact C-N 3.28Å; T20-K22 PolarHBondContact O-N 2.83Å; K22-D24 PolarHBondContact O-N 2.96Å
23H71Confident69.3Low188 Ų188127.2 Ų127.287%0.8767%0.672SS**  trans-41.1104.6176.8-89.6-93.3000110.7S25H23-S25 PolarHBondContact O-N 3.33Å
24D77.5Confident71.3Confident94 Ų94128 Ų12850%0.50367%0.667SS.*  trans-74.9-4.9177.169.7-3.6000111.6K22 G26 A27 A28K22-D24 PolarHBondContact O-N 2.96Å; D24-G26 PolarHBondContact O-N 3.25Å; D24-G26 PolarHBondContact OD1-N 3.41Å; D24-A27 WeakPolarHBondContact O-CB 3.12Å; D24-A27 PolarHBondContact O-N 3.26Å; D24-A28 WeakPolarHBondContact OD2-CB 3.38Å
25S80.2Confident73.3Confident112 Ų112126 Ų12678%0.78366%0.66SS**THydrogen-bonded Turntrans48.629.8178.2-540000113.2H23H23-S25 PolarHBondContact O-N 3.33Å
26G83.1Confident75.3Confident24 Ų24129 Ų12925%0.24766%0.663CS.*THydrogen-bonded Turntrans80.87.6-176.500000115.3D24 A28 D29 L30D24-G26 PolarHBondContact O-N 3.25Å; D24-G26 PolarHBondContact OD1-N 3.41Å; G26-A28 VanDerWaalsContact C-N 3.27Å; G26-A28 PolarHBondContact O-N 3.32Å; G26-D29 PolarHBondContact O-N 2.97Å; G26-L30 PolarHBondContact O-N 3.29Å
27A85.7Confident77Confident50 Ų50125 Ų12541%0.41365%0.654SS.*Hα-helixtrans-60.3-35.417800000112.7D24 D29 L30 Q31D24-A27 WeakPolarHBondContact O-CB 3.12Å; D24-A27 PolarHBondContact O-N 3.26Å; A27-D29 VanDerWaalsContact C-N 3.33Å; A27-L30 PolarHBondContact O-N 3.45Å; A27-Q31 PolarHBondContact O-N 2.83Å
28A83.3Confident78.6Confident37 Ų37123.6 Ų123.631%0.30665%0.65SS.*Hα-helixtrans-67.8-33.6174.800000112.2D24 G26 Q31D24-A28 WeakPolarHBondContact OD2-CB 3.38Å; G26-A28 VanDerWaalsContact C-N 3.27Å; G26-A28 PolarHBondContact O-N 3.32Å; A28-Q31 PolarHBondContact O-N 3.48Å
29D87Confident80.2Confident95 Ų95126 Ų12651%0.50865%0.65SS.*Hα-helixtrans-72.7-33.4176.4-70.9-24.1000111.9G26 A27 Q31 K32G26-D29 PolarHBondContact O-N 2.97Å; A27-D29 VanDerWaalsContact C-N 3.33Å; D29-Q31 VanDerWaalsContact C-N 3.28Å; D29-Q31 PolarHBondContact O-N 3.34Å; D29-K32 PolarHBondContact O-N 3.32Å; D29-K32 IonicContact OD1-NZ 2.74Å; D29-K32 PolarHBondContact OD1-NZ 3.41Å
30L89.5Confident81.8Confident127 Ų127127.1 Ų127.167%0.66565%0.648SS**Hα-helixtrans-64.4-31.3173.4-66.9177.5000112.9G26 A27 K32 V33G26-L30 PolarHBondContact O-N 3.29Å; A27-L30 PolarHBondContact O-N 3.45Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.38Å; L30-V33 WeakPolarHBondContact O-CB 3.49Å; L30-V33 PolarHBondContact O-N 3.27Å
31Q82.8Confident83.3Confident132 Ų132131.8 Ų131.862%0.61766%0.663SS**Hα-helixtrans-65.5-35.7176.9-72.2178.3-1.700112A27 A28 D29 V33 T34A27-Q31 PolarHBondContact O-N 2.83Å; A28-Q31 PolarHBondContact O-N 3.48Å; D29-Q31 VanDerWaalsContact C-N 3.28Å; D29-Q31 PolarHBondContact O-N 3.34Å; Q31-V33 PolarHBondContact O-N 2.88Å; Q31-T34 PolarHBondContact O-N 2.8Å; Q31-T34 PolarHBondContact O-OG1 3.41Å
32K88Confident84.5Confident127 Ų127128.2 Ų128.255%0.55265%0.65SS**Hα-helixtrans-67.6-20.1179.2-60.2170.6-168.41560113.4D29 L30 T34 D35D29-K32 PolarHBondContact O-N 3.32Å; D29-K32 IonicContact OD1-NZ 2.74Å; D29-K32 PolarHBondContact OD1-NZ 3.41Å; L30-K32 VanDerWaalsContact C-N 3.31Å; L30-K32 PolarHBondContact O-N 3.38Å; K32-T34 PolarHBondContact O-N 3.47Å; K32-D35 PolarHBondContact O-N 3.31Å
33V88.3Confident85.2Confident120 Ų120124.6 Ų124.673%0.72764%0.644SS**THydrogen-bonded Turntrans-67.6-22.6-179.8177.60000112L30 Q31L30-V33 WeakPolarHBondContact O-CB 3.49Å; L30-V33 PolarHBondContact O-N 3.27Å; Q31-V33 PolarHBondContact O-N 2.88Å
34T89.5Confident85.2Confident121 Ų121121.3 Ų121.374%0.74264%0.642SS**THydrogen-bonded Turntrans-96.2-4177.756.70000113.9Q31 K32Q31-T34 PolarHBondContact O-N 2.8Å; Q31-T34 PolarHBondContact O-OG1 3.41Å; K32-T34 PolarHBondContact O-N 3.47Å
35D89.6Confident85Confident106 Ų106124.6 Ų124.657%0.56766%0.655SS**SBendtrans-66.9150.1179.2-69.8-16.7000110.4K32 Q37K32-D35 PolarHBondContact O-N 3.31Å; D35-Q37 PolarHBondContact O-N 3.15Å
36Y89.7Confident84.6Confident207 Ų207123.5 Ų123.581%0.81264%0.639SS**  trans-66.9125.3174.7177.1-97000110.1
37Q89.1Confident84.2Confident152 Ų152126.2 Ų126.271%0.7165%0.651SS**  trans-130.2124.1173.417863.243.200108.4D35 E39D35-Q37 PolarHBondContact O-N 3.15Å; Q37-E39 PolarHBondContact O-N 3.26Å
38E89.9Confident83.8Confident143 Ų143131.7 Ų131.767%0.66867%0.668SS**PPolyproline II helixtrans-63.7132.1175.6-172.6173.8-16700110.5
39E89.2Confident83.7Confident182 Ų182133.4 Ų133.485%0.8568%0.677SS**PPolyproline II helixtrans-66.5134.7176.6-67.9-167163.600110.3Q37Q37-E39 PolarHBondContact O-N 3.26Å
40K88.8Confident83.6Confident185 Ų185130.8 Ų130.880%0.80467%0.669SS**PPolyproline II helixtrans-78128.8177.3-68.1-178.2-179.7177.40110.2L42K40-L42 PolarHBondContact O-N 3.32Å
41E86Confident83.3Confident193 Ų193129.9 Ų129.990%0.90266%0.663SS**PPolyproline II helixtrans-61.3130.5170.5-65-169.217200110.7
42L80.9Confident83.4Confident131 Ų131126.2 Ų126.269%0.68665%0.652SS**PPolyproline II helixtrans-81.2146.1170.6-65.8174.9000109.3K40 S44 I46K40-L42 PolarHBondContact O-N 3.32Å; L42-S44 PolarHBondContact O-N 2.8Å; L42-I46 HydrophobicContact CB-CD1 4.22Å; L42-I46 HydrophobicContact CD1-CD1 3.93Å
43P80Confident83.3Confident90 Ų90124.6 Ų124.658%0.58465%0.649SS**PPolyproline II helixtrans-56.6139.1174.525-33.7000109.9Q45P43-Q45 PolarHBondContact O-N 3.04Å
44S72.3Confident83.3Confident120 Ų120123.4 Ų123.484%0.83964%0.638SS**THydrogen-bonded Turntrans-61.10.8-176.760.90000115.3L42 I46L42-S44 PolarHBondContact O-N 2.8Å; S44-I46 PolarHBondContact O-N 3.12Å; S44-I46 VanDerWaalsContact O-N 3.12Å
45Q72.6Confident83.1Confident163 Ų163122 Ų12276%0.76263%0.625SS**THydrogen-bonded Turntrans-69.91.6177.3-63.5-1787.300113.7P43 T47P43-Q45 PolarHBondContact O-N 3.04Å; Q45-T47 WeakPolarHBondContact O-CG2 3.49Å; Q45-T47 PolarHBondContact O-N 2.83Å
46I72.3Confident82.8Confident89 Ų89120.7 Ų120.746%0.45662%0.618SS.*  trans-63.392.6162.8-58.3177000107.5L42 S44 M51L42-I46 HydrophobicContact CB-CD1 4.22Å; L42-I46 HydrophobicContact CD1-CD1 3.93Å; S44-I46 PolarHBondContact O-N 3.12Å; S44-I46 VanDerWaalsContact O-N 3.12Å; I46-M51 HydrophobicContact CG2-CG 4.03Å
47T73.4Confident82.4Confident80 Ų80114.6 Ų114.649%0.49160%0.603SS.*  trans-66.3148.4-179.862.60000109.8Q45 S49 A50 M51Q45-T47 WeakPolarHBondContact O-CG2 3.49Å; Q45-T47 PolarHBondContact O-N 2.83Å; T47-S49 PolarHBondContact O-N 3.05Å; T47-A50 PolarHBondContact O-N 2.94Å; T47-A50 PolarHBondContact OG1-N 2.96Å; T47-M51 PolarHBondContact O-N 2.97Å
48Q78.5Confident81.8Confident166 Ų166111.6 Ų111.678%0.77659%0.589SS**Hα-helixtrans-52.3-28.4169.9-67.5173.2-11.300112M51 S52Q48-M51 HydrophobicContact CG-CE 4.37Å; Q48-M51 PolarHBondContact O-N 3.27Å; Q48-S52 WeakPolarHBondContact O-CB 3.49Å; Q48-S52 PolarHBondContact O-N 3.46Å
49S80.9Confident81.1Confident72 Ų72107.6 Ų107.650%0.50357%0.572SS.*Hα-helixtrans-64.3-42.9174.5-179.90000113T47 M51 S52 N53T47-S49 PolarHBondContact O-N 3.05Å; S49-M51 VanDerWaalsContact C-N 3.33Å; S49-M51 PolarHBondContact O-N 2.89Å; S49-S52 PolarHBondContact O-N 3.42Å; S49-N53 VanDerWaalsContact O-CG 3.3Å; S49-N53 PolarHBondContact O-N 3.37Å; S49-N53 PolarHBondContact O-ND2 3.08Å
50A84.5Confident80.3Confident41 Ų41103.5 Ų103.534%0.33956%0.56SS.*Hα-helixtrans-62.5-41.917600000111.5T47 N53 I54T47-A50 PolarHBondContact O-N 2.94Å; T47-A50 PolarHBondContact OG1-N 2.96Å; A50-N53 PolarHBondContact O-N 3.47Å; A50-I54 WeakPolarHBondContact O-CG1 3.44Å; A50-I54 PolarHBondContact O-N 3.24Å; A50-I54 VanDerWaalsContact O-N 3.16Å
51M84.3Confident79.5Confident107 Ų107102.3 Ų102.353%0.52755%0.554SS.*Hα-helixtrans-65.2-41.1175-68.7-169.8-76.600112.3I46 T47 Q48 S49 N53 I54 L55I46-M51 HydrophobicContact CG2-CG 4.03Å; T47-M51 PolarHBondContact O-N 2.97Å; Q48-M51 HydrophobicContact CG-CE 4.37Å; Q48-M51 PolarHBondContact O-N 3.27Å; S49-M51 VanDerWaalsContact C-N 3.33Å; S49-M51 PolarHBondContact O-N 2.89Å; M51-N53 PolarHBondContact O-N 2.9Å; M51-I54 PolarHBondContact O-N 3.16Å; M51-L55 PolarHBondContact O-N 3.4Å
52S84.5Confident78.4Confident56 Ų56101 Ų10139%0.39254%0.541SS..Hα-helixtrans-60-44.9175.1-166.10000111.4Q48 S49 I54 L55 D56Q48-S52 WeakPolarHBondContact O-CB 3.49Å; Q48-S52 PolarHBondContact O-N 3.46Å; S49-S52 PolarHBondContact O-N 3.42Å; S52-I54 VanDerWaalsContact C-N 3.3Å; S52-I54 PolarHBondContact O-N 3.34Å; S52-L55 CarbonylContact O-C 3.57Å; S52-L55 WeakPolarHBondContact O-CB 3.35Å; S52-L55 PolarHBondContact O-N 2.9Å; S52-L55 VanDerWaalsContact O-N 3.08Å; S52-D56 WeakPolarHBondContact O-CB 3.38Å; S52-D56 VanDerWaalsContact O-CG 3.23Å; S52-D56 PolarHBondContact O-N 3.41Å; S52-D56 PolarHBondContact OG-OD2 2.87Å
53N86Confident77.4Confident93 Ų93101.4 Ų101.450%0.49754%0.539SS..Hα-helixtrans-61.5-37.9177.6-68.7-30.3000112.2S49 A50 M51 T57S49-N53 VanDerWaalsContact O-CG 3.3Å; S49-N53 PolarHBondContact O-N 3.37Å; S49-N53 PolarHBondContact O-ND2 3.08Å; A50-N53 PolarHBondContact O-N 3.47Å; M51-N53 PolarHBondContact O-N 2.9Å; N53-T57 WeakPolarHBondContact O-CB 3.29Å; N53-T57 VanDerWaalsContact O-CG2 3.28Å; N53-T57 WeakPolarHBondContact O-CG2 3.41Å; N53-T57 PolarHBondContact O-N 2.77Å; N53-T57 PolarHBondContact O-OG1 2.94Å
54I87.4Confident76.4Confident94 Ų94101.2 Ų101.248%0.48255%0.546SS..Hα-helixtrans-64.9-44.4173.9-65.7166.2000110.1A50 M51 S52 T57 Q58A50-I54 WeakPolarHBondContact O-CG1 3.44Å; A50-I54 PolarHBondContact O-N 3.24Å; A50-I54 VanDerWaalsContact O-N 3.16Å; M51-I54 PolarHBondContact O-N 3.16Å; S52-I54 VanDerWaalsContact C-N 3.3Å; S52-I54 PolarHBondContact O-N 3.34Å; I54-T57 WeakPolarHBondContact CA-OG1 3.28Å; I54-T57 PolarHBondContact O-N 3.33Å; I54-T57 PolarHBondContact O-OG1 2.77Å; I54-Q58 HydrophobicContact CG2-CG 4.44Å; I54-Q58 WeakPolarHBondContact O-CB 3.43Å; I54-Q58 VanDerWaalsContact O-CG 3.28Å; I54-Q58 WeakPolarHBondContact O-CG 3.4Å; I54-Q58 PolarHBondContact O-N 3.48Å
55L86.1Confident75.8Confident93 Ų93100.6 Ų100.649%0.48754%0.537SS..Hα-helixtrans-64-42.6178.1-177.659.3000111.7M51 S52 Q58 N59M51-L55 PolarHBondContact O-N 3.4Å; S52-L55 CarbonylContact O-C 3.57Å; S52-L55 WeakPolarHBondContact O-CB 3.35Å; S52-L55 PolarHBondContact O-N 2.9Å; S52-L55 VanDerWaalsContact O-N 3.08Å; L55-Q58 PolarHBondContact O-N 2.89Å; L55-N59 VanDerWaalsContact O-CB 3.28Å; L55-N59 WeakPolarHBondContact O-CB 3.28Å; L55-N59 PolarHBondContact O-N 3.17Å; L55-N59 PolarHBondContact O-ND2 3.15Å
56D82.5Confident75Confident78 Ų7897.1 Ų97.142%0.41753%0.531SS..Hα-helixtrans-66.2-42179.1-68.7-30.2000111.4S52 N59 T60S52-D56 WeakPolarHBondContact O-CB 3.38Å; S52-D56 VanDerWaalsContact O-CG 3.23Å; S52-D56 PolarHBondContact O-N 3.41Å; S52-D56 PolarHBondContact OG-OD2 2.87Å; D56-N59 PolarHBondContact O-N 2.73Å; D56-T60 WeakPolarHBondContact O-CB 3.28Å; D56-T60 PolarHBondContact O-N 3.37Å; D56-T60 PolarHBondContact O-OG1 2.91Å
57T80.7Confident74.6Confident79 Ų7996 Ų9649%0.48553%0.528SS..Hα-helixtrans-66.4-38173.654.50000112.3N53 I54 K61N53-T57 WeakPolarHBondContact O-CB 3.29Å; N53-T57 VanDerWaalsContact O-CG2 3.28Å; N53-T57 WeakPolarHBondContact O-CG2 3.41Å; N53-T57 PolarHBondContact O-N 2.77Å; N53-T57 PolarHBondContact O-OG1 2.94Å; I54-T57 WeakPolarHBondContact CA-OG1 3.28Å; I54-T57 PolarHBondContact O-N 3.33Å; I54-T57 PolarHBondContact O-OG1 2.77Å; T57-K61 WeakPolarHBondContact O-CG 3.48Å; T57-K61 PolarHBondContact O-N 3.14Å; T57-K61 VanDerWaalsContact O-N 3.14Å
58Q78.1Confident74.2Confident89 Ų8995.3 Ų95.342%0.41653%0.53SS..Hα-helixtrans-66.6-41.9173.2-75.3-169.72100112I54 L55 K61 R62I54-Q58 HydrophobicContact CG2-CG 4.44Å; I54-Q58 WeakPolarHBondContact O-CB 3.43Å; I54-Q58 VanDerWaalsContact O-CG 3.28Å; I54-Q58 WeakPolarHBondContact O-CG 3.4Å; I54-Q58 PolarHBondContact O-N 3.48Å; L55-Q58 PolarHBondContact O-N 2.89Å; Q58-K61 PolarHBondContact O-N 3.44Å; Q58-R62 WeakPolarHBondContact O-CG 3.43Å; Q58-R62 PolarHBondContact O-N 3.43Å
59N74.9Confident73.9Confident58 Ų5897.7 Ų97.731%0.3154%0.538SS..Hα-helixtrans-65.3-40.6178-76.9-22.8000111.4L55 D56 K61 R62 Q63L55-N59 VanDerWaalsContact O-CB 3.28Å; L55-N59 WeakPolarHBondContact O-CB 3.28Å; L55-N59 PolarHBondContact O-N 3.17Å; L55-N59 PolarHBondContact O-ND2 3.15Å; D56-N59 PolarHBondContact O-N 2.73Å; N59-K61 VanDerWaalsContact C-N 3.32Å; N59-K61 PolarHBondContact O-N 3.29Å; N59-R62 PolarHBondContact O-N 3.15Å; N59-R62 VanDerWaalsContact O-N 3.17Å; N59-Q63 WeakPolarHBondContact O-CG 3.33Å; N59-Q63 PolarHBondContact O-N 3.18Å
60T71.8Confident73.8Confident97 Ų9796 Ų9660%0.59553%0.525SS*.Hα-helixtrans-62.1-41.2175.3-52.90000111D56 Q63 A64D56-T60 WeakPolarHBondContact O-CB 3.28Å; D56-T60 PolarHBondContact O-N 3.37Å; D56-T60 PolarHBondContact O-OG1 2.91Å; T60-Q63 PolarHBondContact O-N 3.29Å; T60-A64 PolarHBondContact O-N 3.17Å; T60-A64 VanDerWaalsContact O-N 3.15Å
61K72.2Confident73.9Confident160 Ų160100.9 Ų100.970%0.69655%0.55SS*.Hα-helixtrans-65.9-36.3174-71.9176.5-178.4-177.90112.8T57 Q58 N59T57-K61 WeakPolarHBondContact O-CG 3.48Å; T57-K61 PolarHBondContact O-N 3.14Å; T57-K61 VanDerWaalsContact O-N 3.14Å; Q58-K61 PolarHBondContact O-N 3.44Å; N59-K61 VanDerWaalsContact C-N 3.32Å; N59-K61 PolarHBondContact O-N 3.29Å
62R63.8Low74.1Confident164 Ų16497.6 Ų97.662%0.61953%0.534SS*.Hα-helixtrans-70.5-40.4175.4-72176.7-178-160.32.8111.9Q58 N59 A64 T65Q58-R62 WeakPolarHBondContact O-CG 3.43Å; Q58-R62 PolarHBondContact O-N 3.43Å; N59-R62 PolarHBondContact O-N 3.15Å; N59-R62 VanDerWaalsContact O-N 3.17Å; R62-A64 VanDerWaalsContact C-N 3.28Å; R62-A64 PolarHBondContact O-N 3.19Å; R62-T65 WeakPolarHBondContact O-CB 3.44Å; R62-T65 PolarHBondContact O-N 3.14Å; R62-T65 PolarHBondContact O-OG1 3.38Å
63Q58.6Low74.5Confident140 Ų140101.8 Ų101.865%0.65455%0.545SS*.Hα-helixtrans-65.1-31.1177.1-73.8-175.12400112.3N59 T60 T65 S66N59-Q63 WeakPolarHBondContact O-CG 3.33Å; N59-Q63 PolarHBondContact O-N 3.18Å; T60-Q63 PolarHBondContact O-N 3.29Å; Q63-T65 PolarHBondContact O-N 3.03Å; Q63-S66 PolarHBondContact O-N 3.37Å; Q63-S66 PolarHBondContact O-OG 3.08Å
64A58.1Low74.9Confident87 Ų87104 Ų10472%0.71955%0.551SS**THydrogen-bonded Turntrans-60-17.617100000113.5T60 R62T60-A64 PolarHBondContact O-N 3.17Å; T60-A64 VanDerWaalsContact O-N 3.15Å; R62-A64 VanDerWaalsContact C-N 3.28Å; R62-A64 PolarHBondContact O-N 3.19Å
65T59.7Low75.3Confident107 Ų107102.5 Ų102.566%0.65655%0.552SS**THydrogen-bonded Turntrans-92-8.6175.672.10000114R62 Q63 T67R62-T65 WeakPolarHBondContact O-CB 3.44Å; R62-T65 PolarHBondContact O-N 3.14Å; R62-T65 PolarHBondContact O-OG1 3.38Å; Q63-T65 PolarHBondContact O-N 3.03Å; T65-T67 VanDerWaalsContact C-N 3.25Å; T65-T67 PolarHBondContact O-N 3.38Å
66S57.7Low75.7Confident90 Ų9099.9 Ų99.963%0.62954%0.539SS*.  trans-80.377.4175.4680000110.1Q63Q63-S66 PolarHBondContact O-N 3.37Å; Q63-S66 PolarHBondContact O-OG 3.08Å
67T62.4Low76.3Confident65 Ų6597.2 Ų97.240%0.39952%0.524SS..  trans-59.4137.2165.2510000108.7T65 N96 Q97T65-T67 VanDerWaalsContact C-N 3.25Å; T65-T67 PolarHBondContact O-N 3.38Å; T67-N96 HydrophobicContact CG2-CB 4.43Å; T67-Q97 HydrophobicContact CG2-CG 4.39Å
68A65.9Low77.1Confident65 Ų6597.5 Ų97.554%0.53752%0.52SS..  trans-49150.3175.500000111V70A68-V70 WeakPolarHBondContact O-CG2 3.4Å; A68-V70 PolarHBondContact O-N 2.91Å
69K71.3Confident78Confident216 Ų21698.1 Ų98.194%0.93952%0.521SS*.  trans-63.596.5174-67-179.2-178.9178.80108.8
70V79.6Confident79Confident37 Ų3795.3 Ų95.322%0.22451%0.507CS..  trans-96.1135.3177.3178.10000108.5A68 I72A68-V70 WeakPolarHBondContact O-CG2 3.4Å; A68-V70 PolarHBondContact O-N 2.91Å; V70-I72 HydrophobicContact CB-CG1 4.43Å; V70-I72 HydrophobicContact CG1-CG1 4.05Å; V70-I72 PolarHBondContact O-N 2.98Å
71V86.3Confident80.2Confident143 Ų14393 Ų9387%0.86749%0.49SS*.  trans-78.2107.4172.2-179.70000108
72I88.2Confident81.4Confident38 Ų3891.7 Ų91.720%0.19549%0.49CS..  trans-105.1133.8178.8-62.5168.3000109V70 I77 L95 N96V70-I72 HydrophobicContact CB-CG1 4.43Å; V70-I72 HydrophobicContact CG1-CG1 4.05Å; V70-I72 PolarHBondContact O-N 2.98Å; I72-I77 HydrophobicContact CG2-CD1 3.81Å; I72-I77 HydrophobicContact CG2-CG1 3.68Å; I72-L95 HydrophobicContact CD1-CB 3.76Å; I72-L95 HydrophobicContact CG1-CB 4.25Å; I72-L95 HydrophobicContact CG2-CB 4.14Å; I72-L95 HydrophobicContact CG2-CD1 3.66Å; I72-L95 HydrophobicContact CG2-CG 4.43Å; I72-N96 HydrophobicContact CD1-CB 4.34Å; I72-N96 VanDerWaalsContact CD1-CG 3.47Å; I72-N96 VanDerWaalsContact CD1-OD1 3.22Å; I72-N96 WeakPolarHBondContact CD1-OD1 3.4Å
73K93Very high82.8Confident145 Ų14590.1 Ų90.163%0.6349%0.49SS*.  trans-80.5141.1175.8-58.6174.4-177170.70110A75 D76 I77K73-A75 VanDerWaalsContact C-N 3.25Å; K73-A75 PolarHBondContact O-N 3.05Å; K73-D76 WeakPolarHBondContact CB-OD2 3.48Å; K73-D76 PolarHBondContact O-N 2.81Å; K73-D76 VanDerWaalsContact O-N 3.14Å; K73-I77 PolarHBondContact O-N 2.93Å
74K94.1Very high84.5Confident140 Ų14085.7 Ų85.761%0.60947%0.47SS*.Hα-helixtrans-58.5-37.2175.2-177176.7165.8-173.60112.7D76 I77 E78K74-D76 VanDerWaalsContact C-N 3.3Å; K74-D76 PolarHBondContact O-N 2.74Å; K74-I77 PolarHBondContact O-N 3.43Å; K74-E78 WeakPolarHBondContact CE-OE1 3.42Å; K74-E78 IonicContact NZ-OE1 2.88Å; K74-E78 PolarHBondContact O-N 3.37Å
75A95.5Very high86.3Confident62 Ų6290.3 Ų90.351%0.51248%0.476SS..Hα-helixtrans-61.1-37.6177.600000112.6K73 I77 E78 F79K73-A75 VanDerWaalsContact C-N 3.25Å; K73-A75 PolarHBondContact O-N 3.05Å; A75-I77 VanDerWaalsContact C-N 3.34Å; A75-E78 PolarHBondContact O-N 2.97Å; A75-F79 VanDerWaalsContact O-CB 3.26Å; A75-F79 WeakPolarHBondContact O-CB 3.4Å; A75-F79 PolarHBondContact O-N 2.6Å
76D95.8Very high88Confident38 Ų3886.7 Ų86.720%0.20345%0.454CS..Hα-helixtrans-69.4-35.9179.8-58.8-22.8000111K73 K74 I80 L95 V102K73-D76 WeakPolarHBondContact CB-OD2 3.48Å; K73-D76 PolarHBondContact O-N 2.81Å; K73-D76 VanDerWaalsContact O-N 3.14Å; K74-D76 VanDerWaalsContact C-N 3.3Å; K74-D76 PolarHBondContact O-N 2.74Å; D76-I80 WeakPolarHBondContact O-CG1 3.37Å; D76-I80 PolarHBondContact O-N 3.48Å; D76-I80 VanDerWaalsContact O-N 3.12Å; D76-L95 HydrophobicContact CB-CD1 4.16Å; D76-L95 HydrophobicContact CB-CD2 4.46Å; D76-V102 HydrophobicContact CB-CG2 3.86Å
77I95.4Very high89.8Confident21 Ų2186.5 Ų86.511%0.10845%0.449CS..Hα-helixtrans-66-49.9175-60.3165.2000110I72 K73 K74 A75 F79 I80 M81 R88 A91 E92 L95I72-I77 HydrophobicContact CG2-CD1 3.81Å; I72-I77 HydrophobicContact CG2-CG1 3.68Å; K73-I77 PolarHBondContact O-N 2.93Å; K74-I77 PolarHBondContact O-N 3.43Å; A75-I77 VanDerWaalsContact C-N 3.34Å; I77-F79 VanDerWaalsContact C-N 3.3Å; I77-F79 PolarHBondContact O-N 2.79Å; I77-I80 PolarHBondContact O-N 2.94Å; I77-M81 HydrophobicContact CG2-CG 4.31Å; I77-M81 HydrophobicContact CG2-SD 3.87Å; I77-M81 WeakPolarHBondContact O-CB 3.28Å; I77-M81 VanDerWaalsContact O-CG 3.25Å; I77-M81 WeakPolarHBondContact O-CG 3.46Å; I77-M81 PolarHBondContact O-N 3.18Å; I77-R88 HydrophobicContact CG2-CG 4.17Å; I77-A91 HydrophobicContact CG2-CB 4.18Å; I77-E92 HydrophobicContact CD1-CG 3.75Å; I77-E92 HydrophobicContact CG1-CG 4.11Å; I77-E92 HydrophobicContact CG2-CG 4.11Å; I77-L95 HydrophobicContact CB-CD1 4.39Å; I77-L95 HydrophobicContact CG1-CD1 3.65Å
78E96.6Very high91.4Very high85 Ų8589.9 Ų89.940%0.39746%0.455SS..Hα-helixtrans-62.2-38.7179.6-72.4178.5173.400112K74 A75 M81 N82K74-E78 WeakPolarHBondContact CE-OE1 3.42Å; K74-E78 IonicContact NZ-OE1 2.88Å; K74-E78 PolarHBondContact O-N 3.37Å; A75-E78 PolarHBondContact O-N 2.97Å; E78-M81 PolarHBondContact O-N 3.41Å; E78-N82 WeakPolarHBondContact O-CB 3.4Å; E78-N82 VanDerWaalsContact O-CG 3.23Å; E78-N82 PolarHBondContact O-N 2.94Å; E78-N82 PolarHBondContact O-ND2 2.68Å
79F96.8Very high92.7Very high102 Ų10293.2 Ų93.245%0.44746%0.459SS..Hα-helixtrans-60.1-50.4174.7177.8-108.7000111.9A75 I77 M81 N82 E83 V102 L106A75-F79 VanDerWaalsContact O-CB 3.26Å; A75-F79 WeakPolarHBondContact O-CB 3.4Å; A75-F79 PolarHBondContact O-N 2.6Å; I77-F79 VanDerWaalsContact C-N 3.3Å; I77-F79 PolarHBondContact O-N 2.79Å; F79-M81 PolarHBondContact O-N 3.09Å; F79-N82 PolarHBondContact O-N 3.47Å; F79-E83 WeakPolarHBondContact O-CB 3.49Å; F79-E83 PolarHBondContact O-N 3.2Å; F79-V102 HydrophobicContact CD1-CG1 3.79Å; F79-V102 HydrophobicContact CE1-CG1 3.93Å; F79-L106 HydrophobicContact CE1-CD1 4.03Å
80I96.1Very high93.8Very high0 Ų086.4 Ų86.40%043%0.432CS..Hα-helixtrans-65.5-39.7178.7-68.3176.7000111.6D76 I77 N82 M84 V86 A91 L95 V102 A105 L106 L109D76-I80 WeakPolarHBondContact O-CG1 3.37Å; D76-I80 PolarHBondContact O-N 3.48Å; D76-I80 VanDerWaalsContact O-N 3.12Å; I77-I80 PolarHBondContact O-N 2.94Å; I80-N82 VanDerWaalsContact C-N 3.31Å; I80-N82 PolarHBondContact O-N 2.85Å; I80-M84 HydrophobicContact CG2-CG 4.28Å; I80-M84 WeakPolarHBondContact O-CB 3.26Å; I80-M84 PolarHBondContact O-N 3.38Å; I80-V86 HydrophobicContact CG2-CG2 4.08Å; I80-A91 HydrophobicContact CB-CB 4.12Å; I80-A91 HydrophobicContact CG2-CB 3.73Å; I80-L95 HydrophobicContact CD1-CD1 3.86Å; I80-L95 HydrophobicContact CD1-CD2 3.66Å; I80-L95 HydrophobicContact CD1-CG 3.61Å; I80-V102 HydrophobicContact CD1-CG1 4.29Å; I80-V102 HydrophobicContact CG1-CG1 4.25Å; I80-A105 HydrophobicContact CD1-CB 3.91Å; I80-L106 HydrophobicContact CG1-CD2 4.18Å; I80-L109 HydrophobicContact CG2-CD1 3.66Å
81M97.3Very high94.5Very high49 Ų4984.6 Ų84.624%0.24142%0.421CS..Hα-helixtrans-58.7-44.2176.9-75.4175.858.900111.7I77 E78 F79 E85 V86 R88 A91I77-M81 HydrophobicContact CG2-CG 4.31Å; I77-M81 HydrophobicContact CG2-SD 3.87Å; I77-M81 WeakPolarHBondContact O-CB 3.28Å; I77-M81 VanDerWaalsContact O-CG 3.25Å; I77-M81 WeakPolarHBondContact O-CG 3.46Å; I77-M81 PolarHBondContact O-N 3.18Å; E78-M81 PolarHBondContact O-N 3.41Å; F79-M81 PolarHBondContact O-N 3.09Å; M81-E85 VanDerWaalsContact O-CA 3.26Å; M81-E85 WeakPolarHBondContact O-CA 3.44Å; M81-E85 PolarHBondContact O-N 2.92Å; M81-E85 VanDerWaalsContact O-N 3.14Å; M81-V86 PolarHBondContact O-N 3.29Å; M81-R88 HydrophobicContact CE-CB 4.15Å; M81-R88 HydrophobicContact SD-CB 3.71Å; M81-R88 HydrophobicContact SD-CG 4.16Å; M81-A91 HydrophobicContact CG-CB 3.89Å
82N96.3Very high94.8Very high131 Ų13180.9 Ų80.970%0.70139%0.394SS*.Hα-helixtrans-74.5-41.1-178.4-68.6-15.8000112.4E78 F79 I80E78-N82 WeakPolarHBondContact O-CB 3.4Å; E78-N82 VanDerWaalsContact O-CG 3.23Å; E78-N82 PolarHBondContact O-N 2.94Å; E78-N82 PolarHBondContact O-ND2 2.68Å; F79-N82 PolarHBondContact O-N 3.47Å; I80-N82 VanDerWaalsContact C-N 3.31Å; I80-N82 PolarHBondContact O-N 2.85Å
83E94.4Very high95Very high132 Ų13284.5 Ų84.562%0.61741%0.408SS*.Hα-helixtrans-76.5-39-175.1-167.566.7-15900112.6F79F79-E83 WeakPolarHBondContact O-CB 3.49Å; F79-E83 PolarHBondContact O-N 3.2Å
84M95Very high95Very high47 Ų4777.7 Ų77.723%0.23238%0.379CS..Hα-helixtrans-99-1.8-176.7-60.9-67.8-5100113.2I80 V86 L106 L109 L110I80-M84 HydrophobicContact CG2-CG 4.28Å; I80-M84 WeakPolarHBondContact O-CB 3.26Å; I80-M84 PolarHBondContact O-N 3.38Å; M84-V86 HydrophobicContact CB-CG1 3.98Å; M84-V86 HydrophobicContact CB-CG2 4.17Å; M84-V86 WeakPolarHBondContact O-CG1 3.46Å; M84-V86 PolarHBondContact O-N 3.5Å; M84-L106 HydrophobicContact CG-CD2 3.55Å; M84-L106 HydrophobicContact SD-CD2 3.78Å; M84-L109 HydrophobicContact CB-CD1 4.49Å; M84-L109 HydrophobicContact CE-CB 3.66Å; M84-L109 HydrophobicContact CG-CD1 4.02Å; M84-L110 HydrophobicContact CE-CD2 3.78Å; M84-L110 HydrophobicContact CE-CG 4.04Å; M84-L110 HydrophobicContact SD-CD2 4.32Å; M84-L110 HydrophobicContact SD-CG 4.4Å
85E95Very high94.9Very high183 Ų18371 Ų7186%0.85535%0.35SS*.  trans50.737.5-175.3-58.9-167.5140.900113.7M81M81-E85 VanDerWaalsContact O-CA 3.26Å; M81-E85 WeakPolarHBondContact O-CA 3.44Å; M81-E85 PolarHBondContact O-N 2.92Å; M81-E85 VanDerWaalsContact O-N 3.14Å
86V95.5Very high94.7Very high32 Ų3270.1 Ų70.119%0.19434%0.337CS..  trans-100.7157.2-179.4-63.20000112.4I80 M81 M84 I90 A91I80-V86 HydrophobicContact CG2-CG2 4.08Å; M81-V86 PolarHBondContact O-N 3.29Å; M84-V86 HydrophobicContact CB-CG1 3.98Å; M84-V86 HydrophobicContact CB-CG2 4.17Å; M84-V86 WeakPolarHBondContact O-CG1 3.46Å; M84-V86 PolarHBondContact O-N 3.5Å; V86-I90 HydrophobicContact CB-CB 4.07Å; V86-I90 HydrophobicContact CB-CG2 3.96Å; V86-I90 HydrophobicContact CG1-CG2 4.08Å; V86-I90 HydrophobicContact CG2-CB 4.37Å; V86-I90 HydrophobicContact CG2-CG2 4.22Å; V86-A91 HydrophobicContact CG2-CB 4.09Å
87T96.3Very high94.4Very high85 Ų8573.3 Ų73.352%0.52135%0.351SS..  trans-63.7154171.769.30000111.3H89 I90 A91T87-H89 PolarHBondContact O-N 3.18Å; T87-H89 VanDerWaalsContact O-N 3.16Å; T87-I90 PolarHBondContact O-N 3.46Å; T87-I90 WeakPolarHBondContact OG1-CG1 3.35Å; T87-I90 PolarHBondContact OG1-N 2.98Å; T87-A91 PolarHBondContact O-N 2.96Å; T87-A91 VanDerWaalsContact O-N 3.09Å
88R95.3Very high94.2Very high137 Ų13774.1 Ų74.152%0.51736%0.355SS..Hα-helixtrans-49-43.1173.8179.1-178.8-68.4-148.61.8112.4I77 M81 I90 A91 E92I77-R88 HydrophobicContact CG2-CG 4.17Å; M81-R88 HydrophobicContact CE-CB 4.15Å; M81-R88 HydrophobicContact SD-CB 3.71Å; M81-R88 HydrophobicContact SD-CG 4.16Å; R88-I90 VanDerWaalsContact C-N 3.31Å; R88-I90 PolarHBondContact O-N 3.14Å; R88-A91 PolarHBondContact O-N 3.46Å; R88-E92 VanDerWaalsContact CD-OE1 3.32Å; R88-E92 WeakPolarHBondContact CD-OE1 3.33Å; R88-E92 HydrophobicContact CG-CG 4.17Å; R88-E92 VanDerWaalsContact CG-OE1 3.27Å; R88-E92 WeakPolarHBondContact CG-OE1 3.4Å; R88-E92 WeakPolarHBondContact O-CB 3.26Å; R88-E92 WeakPolarHBondContact O-CG 3.28Å; R88-E92 PolarHBondContact O-N 3.19Å
89H93.9Very high93.8Very high135 Ų13577 Ų7763%0.62537%0.368SS*.Hα-helixtrans-60.9-40.6-178.3-177.565.7000112.3T87 K93T87-H89 PolarHBondContact O-N 3.18Å; T87-H89 VanDerWaalsContact O-N 3.16Å; H89-K93 VanDerWaalsContact O-CB 3.26Å; H89-K93 WeakPolarHBondContact O-CB 3.35Å; H89-K93 PolarHBondContact O-N 3.42Å
90I93.5Very high93.5Very high72 Ų7273 Ų7337%0.36936%0.356SS..Hα-helixtrans-70-43.8177.9-64.6170.1000110.4V86 T87 R88 K93 A94 L109V86-I90 HydrophobicContact CB-CB 4.07Å; V86-I90 HydrophobicContact CB-CG2 3.96Å; V86-I90 HydrophobicContact CG1-CG2 4.08Å; V86-I90 HydrophobicContact CG2-CB 4.37Å; V86-I90 HydrophobicContact CG2-CG2 4.22Å; T87-I90 PolarHBondContact O-N 3.46Å; T87-I90 WeakPolarHBondContact OG1-CG1 3.35Å; T87-I90 PolarHBondContact OG1-N 2.98Å; R88-I90 VanDerWaalsContact C-N 3.31Å; R88-I90 PolarHBondContact O-N 3.14Å; I90-K93 PolarHBondContact O-N 3.39Å; I90-A94 WeakPolarHBondContact O-CB 3.34Å; I90-A94 PolarHBondContact O-N 3.09Å; I90-L109 HydrophobicContact CG2-CD2 3.74Å
91A94.5Very high93.4Very high0 Ų076.7 Ų76.70%038%0.376CS..Hα-helixtrans-60.6-47.2177.400000112.2I77 I80 M81 V86 T87 R88 K93 A94 L95I77-A91 HydrophobicContact CG2-CB 4.18Å; I80-A91 HydrophobicContact CB-CB 4.12Å; I80-A91 HydrophobicContact CG2-CB 3.73Å; M81-A91 HydrophobicContact CG-CB 3.89Å; V86-A91 HydrophobicContact CG2-CB 4.09Å; T87-A91 PolarHBondContact O-N 2.96Å; T87-A91 VanDerWaalsContact O-N 3.09Å; R88-A91 PolarHBondContact O-N 3.46Å; A91-K93 VanDerWaalsContact C-N 3.35Å; A91-K93 PolarHBondContact O-N 3.13Å; A91-A94 PolarHBondContact O-N 3.09Å; A91-L95 WeakPolarHBondContact O-CG 3.45Å; A91-L95 PolarHBondContact O-N 2.8Å
92E92.7Very high93.2Very high65 Ų6575.9 Ų75.930%0.30437%0.374SS..Hα-helixtrans-62.5-41.3176-75.5176.3-175.600111.8I77 R88 L95 N96I77-E92 HydrophobicContact CD1-CG 3.75Å; I77-E92 HydrophobicContact CG1-CG 4.11Å; I77-E92 HydrophobicContact CG2-CG 4.11Å; R88-E92 VanDerWaalsContact CD-OE1 3.32Å; R88-E92 WeakPolarHBondContact CD-OE1 3.33Å; R88-E92 HydrophobicContact CG-CG 4.17Å; R88-E92 VanDerWaalsContact CG-OE1 3.27Å; R88-E92 WeakPolarHBondContact CG-OE1 3.4Å; R88-E92 WeakPolarHBondContact O-CB 3.26Å; R88-E92 WeakPolarHBondContact O-CG 3.28Å; R88-E92 PolarHBondContact O-N 3.19Å; E92-L95 PolarHBondContact O-N 3.48Å; E92-N96 WeakPolarHBondContact O-CB 3.43Å; E92-N96 PolarHBondContact O-N 3.25Å; E92-N96 PolarHBondContact O-ND2 3.46Å
93K91.7Very high93.1Very high113 Ų11376 Ų7649%0.49137%0.368SS..Hα-helixtrans-62.1-47.2176.7-177.1-179.5177.3-175.40111.4H89 I90 A91 L95 N96 Q97H89-K93 VanDerWaalsContact O-CB 3.26Å; H89-K93 WeakPolarHBondContact O-CB 3.35Å; H89-K93 PolarHBondContact O-N 3.42Å; I90-K93 PolarHBondContact O-N 3.39Å; A91-K93 VanDerWaalsContact C-N 3.35Å; A91-K93 PolarHBondContact O-N 3.13Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-L95 PolarHBondContact O-N 3.35Å; K93-N96 PolarHBondContact O-N 2.87Å; K93-Q97 HydrophobicContact CG-CG 4.45Å; K93-Q97 WeakPolarHBondContact O-CB 3.36Å; K93-Q97 VanDerWaalsContact O-CG 3.28Å; K93-Q97 WeakPolarHBondContact O-CG 3.45Å; K93-Q97 PolarHBondContact O-N 2.86Å
94A92.4Very high93.1Very high3 Ų373.1 Ų73.13%0.02535%0.354CS..Hα-helixtrans-61.3-43.4178.200000111.4I90 A91 Q97 N98 A105 L109I90-A94 WeakPolarHBondContact O-CB 3.34Å; I90-A94 PolarHBondContact O-N 3.09Å; A91-A94 PolarHBondContact O-N 3.09Å; A94-Q97 PolarHBondContact O-N 3.42Å; A94-N98 WeakPolarHBondContact O-CB 3.22Å; A94-N98 PolarHBondContact O-N 3.4Å; A94-N98 VanDerWaalsContact O-N 3.09Å; A94-N98 PolarHBondContact O-ND2 3.37Å; A94-A105 HydrophobicContact CB-CB 4.18Å; A94-L109 HydrophobicContact CB-CD1 4.03Å; A94-L109 HydrophobicContact CB-CD2 4.09Å; A94-L109 HydrophobicContact CB-CG 4.02Å
95L93.7Very high93Very high0 Ų070.9 Ų70.90%034%0.343CS..Hα-helixtrans-64.9-41175.8-74.7166.4000112.2I72 D76 I77 I80 A91 E92 K93 N98 H99 G100 V102 A105I72-L95 HydrophobicContact CD1-CB 3.76Å; I72-L95 HydrophobicContact CG1-CB 4.25Å; I72-L95 HydrophobicContact CG2-CB 4.14Å; I72-L95 HydrophobicContact CG2-CD1 3.66Å; I72-L95 HydrophobicContact CG2-CG 4.43Å; D76-L95 HydrophobicContact CB-CD1 4.16Å; D76-L95 HydrophobicContact CB-CD2 4.46Å; I77-L95 HydrophobicContact CB-CD1 4.39Å; I77-L95 HydrophobicContact CG1-CD1 3.65Å; I80-L95 HydrophobicContact CD1-CD1 3.86Å; I80-L95 HydrophobicContact CD1-CD2 3.66Å; I80-L95 HydrophobicContact CD1-CG 3.61Å; A91-L95 WeakPolarHBondContact O-CG 3.45Å; A91-L95 PolarHBondContact O-N 2.8Å; E92-L95 PolarHBondContact O-N 3.48Å; K93-L95 VanDerWaalsContact C-N 3.34Å; K93-L95 PolarHBondContact O-N 3.35Å; L95-N98 CarbonylContact O-C 3.5Å; L95-N98 PolarHBondContact O-N 3.33Å; L95-H99 PolarHBondContact O-N 3.01Å; L95-G100 PolarHBondContact O-N 2.92Å; L95-V102 HydrophobicContact CD2-CG2 4.33Å; L95-A105 HydrophobicContact CD2-CB 4.08Å; L95-A105 HydrophobicContact CG-CB 4.45Å
96N91.1Very high93Very high43 Ų4363.9 Ų63.923%0.2331%0.312CS..Hα-helixtrans-64.3-43177.4-83.3-55.8000112.5T67 I72 E92 K93 N98 H99T67-N96 HydrophobicContact CG2-CB 4.43Å; I72-N96 HydrophobicContact CD1-CB 4.34Å; I72-N96 VanDerWaalsContact CD1-CG 3.47Å; I72-N96 VanDerWaalsContact CD1-OD1 3.22Å; I72-N96 WeakPolarHBondContact CD1-OD1 3.4Å; E92-N96 WeakPolarHBondContact O-CB 3.43Å; E92-N96 PolarHBondContact O-N 3.25Å; E92-N96 PolarHBondContact O-ND2 3.46Å; K93-N96 PolarHBondContact O-N 2.87Å; N96-N98 VanDerWaalsContact C-N 3.27Å; N96-N98 PolarHBondContact O-N 3.43Å; N96-H99 PolarHBondContact O-N 2.89Å
97Q89.4Confident92.9Very high105 Ų10567.1 Ų67.149%0.49132%0.323SS..Hα-helixtrans-66.1-30.9178.1-71.6175.5-40.100112.5T67 K93 A94T67-Q97 HydrophobicContact CG2-CG 4.39Å; K93-Q97 HydrophobicContact CG-CG 4.45Å; K93-Q97 WeakPolarHBondContact O-CB 3.36Å; K93-Q97 VanDerWaalsContact O-CG 3.28Å; K93-Q97 WeakPolarHBondContact O-CG 3.45Å; K93-Q97 PolarHBondContact O-N 2.86Å; A94-Q97 PolarHBondContact O-N 3.42Å
98N91Very high92.8Very high38 Ų3865.4 Ų65.420%0.20332%0.315CS..THydrogen-bonded Turntrans-101.922.4-178.5-66.6-80.3000113A94 L95 N96 G100 N101 E104 A105 S108A94-N98 WeakPolarHBondContact O-CB 3.22Å; A94-N98 PolarHBondContact O-N 3.4Å; A94-N98 VanDerWaalsContact O-N 3.09Å; A94-N98 PolarHBondContact O-ND2 3.37Å; L95-N98 CarbonylContact O-C 3.5Å; L95-N98 PolarHBondContact O-N 3.33Å; N96-N98 VanDerWaalsContact C-N 3.27Å; N96-N98 PolarHBondContact O-N 3.43Å; N98-G100 PolarHBondContact O-N 2.99Å; N98-G100 VanDerWaalsContact O-N 3.13Å; N98-N101 VanDerWaalsContact O-CB 3.28Å; N98-N101 WeakPolarHBondContact O-CB 3.43Å; N98-N101 PolarHBondContact O-N 3.3Å; N98-E104 HydrophobicContact CB-CB 4.21Å; N98-A105 HydrophobicContact CB-CB 4.29Å; N98-S108 PolarHBondContact ND2-OG 3.48Å
99H88.4Confident92.6Very high144 Ų14461 Ų6167%0.66730%0.301SS*.THydrogen-bonded Turntrans52.835.5176.6-55.4-70.8000114.7L95 N96 N101L95-H99 PolarHBondContact O-N 3.01Å; N96-H99 PolarHBondContact O-N 2.89Å; H99-N101 VanDerWaalsContact C-N 3.29Å; H99-N101 PolarHBondContact O-N 3.28Å
100G89.8Confident92.5Very high19 Ų1959.6 Ų59.620%0.19630%0.298CS..THydrogen-bonded Turntrans78.57.418000000114.4L95 N98 V102L95-G100 PolarHBondContact O-N 2.92Å; N98-G100 PolarHBondContact O-N 2.99Å; N98-G100 VanDerWaalsContact O-N 3.13Å; G100-V102 PolarHBondContact O-N 3.12Å
101N93.3Very high92Very high77 Ų7759.8 Ų59.841%0.41231%0.31SS..  trans-81.8106.2176.9-171.5-27.3000111N98 H99 K103 E104 A105N98-N101 VanDerWaalsContact O-CB 3.28Å; N98-N101 WeakPolarHBondContact O-CB 3.43Å; N98-N101 PolarHBondContact O-N 3.3Å; H99-N101 VanDerWaalsContact C-N 3.29Å; H99-N101 PolarHBondContact O-N 3.28Å; N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 3.04Å; N101-K103 PolarHBondContact OD1-N 3.09Å; N101-K103 VanDerWaalsContact OD1-N 3.09Å; N101-E104 HydrophobicContact CB-CB 4.34Å; N101-E104 HydrophobicContact CB-CG 4.49Å; N101-E104 PolarHBondContact O-N 3.16Å; N101-E104 PolarHBondContact OD1-N 3.39Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.49Å
102V93.9Very high90.5Very high33 Ų3372.3 Ų72.320%0.237%0.365CS..Hα-helixtrans-57.8-40.5-178.9-170.70000112.4D76 F79 I80 L95 G100 A105 L106D76-V102 HydrophobicContact CB-CG2 3.86Å; F79-V102 HydrophobicContact CD1-CG1 3.79Å; F79-V102 HydrophobicContact CE1-CG1 3.93Å; I80-V102 HydrophobicContact CD1-CG1 4.29Å; I80-V102 HydrophobicContact CG1-CG1 4.25Å; L95-V102 HydrophobicContact CD2-CG2 4.33Å; G100-V102 PolarHBondContact O-N 3.12Å; V102-A105 PolarHBondContact O-N 3.44Å; V102-L106 HydrophobicContact CG1-CD1 4.26Å; V102-L106 WeakPolarHBondContact O-CG 3.27Å; V102-L106 PolarHBondContact O-N 2.84Å
103K94.3Very high90.3Very high134 Ų13472.7 Ų72.758%0.58337%0.368SS*.Hα-helixtrans-66.7-46.1-177.3-179-178.2178.8-179.30111.8N101 L106 K107N101-K103 VanDerWaalsContact C-N 3.31Å; N101-K103 PolarHBondContact O-N 3.04Å; N101-K103 PolarHBondContact OD1-N 3.09Å; N101-K103 VanDerWaalsContact OD1-N 3.09Å; K103-L106 PolarHBondContact O-N 3.33Å; K103-K107 WeakPolarHBondContact O-CG 3.47Å; K103-K107 PolarHBondContact O-N 3.28Å; K103-K107 VanDerWaalsContact O-N 3.09Å
104E93.9Very high90.3Very high70 Ų7070.6 Ų70.633%0.32736%0.362SS..Hα-helixtrans-71.4-34.2178.3-61.4-53129.800111.1N98 N101 K107 S108N98-E104 HydrophobicContact CB-CB 4.21Å; N101-E104 HydrophobicContact CB-CB 4.34Å; N101-E104 HydrophobicContact CB-CG 4.49Å; N101-E104 PolarHBondContact O-N 3.16Å; N101-E104 PolarHBondContact OD1-N 3.39Å; E104-K107 PolarHBondContact O-N 3.25Å; E104-K107 IonicContact OE1-NZ 3.43Å; E104-K107 PolarHBondContact OE1-NZ 3.34Å; E104-K107 WeakPolarHBondContact OE2-CD 3.26Å; E104-K107 IonicContact OE2-NZ 3.64Å; E104-K107 PolarHBondContact OE2-NZ 3.03Å; E104-S108 WeakPolarHBondContact O-CB 3.41Å; E104-S108 PolarHBondContact O-N 2.96Å; E104-S108 PolarHBondContact O-OG 3.44Å
105A93.6Very high90.1Very high0 Ų074.3 Ų74.30%038%0.38CS..Hα-helixtrans-59.2-47.9171.400000112.2I80 A94 L95 N98 N101 V102 S108 L109I80-A105 HydrophobicContact CD1-CB 3.91Å; A94-A105 HydrophobicContact CB-CB 4.18Å; L95-A105 HydrophobicContact CD2-CB 4.08Å; L95-A105 HydrophobicContact CG-CB 4.45Å; N98-A105 HydrophobicContact CB-CB 4.29Å; N101-A105 WeakPolarHBondContact O-CB 3.32Å; N101-A105 PolarHBondContact O-N 3.49Å; V102-A105 PolarHBondContact O-N 3.44Å; A105-S108 PolarHBondContact O-N 3.03Å; A105-S108 PolarHBondContact O-OG 3.42Å; A105-L109 WeakPolarHBondContact O-CG 3.25Å; A105-L109 PolarHBondContact O-N 3.37Å; A105-L109 VanDerWaalsContact O-N 3.08Å
106L94.7Very high89.9Confident36 Ų3678.7 Ų78.719%0.18840%0.403CS..Hα-helixtrans-61.2-45.6176.4-73.4171.4000112.3F79 I80 M84 V102 K103 S108 L109 L110F79-L106 HydrophobicContact CE1-CD1 4.03Å; I80-L106 HydrophobicContact CG1-CD2 4.18Å; M84-L106 HydrophobicContact CG-CD2 3.55Å; M84-L106 HydrophobicContact SD-CD2 3.78Å; V102-L106 HydrophobicContact CG1-CD1 4.26Å; V102-L106 WeakPolarHBondContact O-CG 3.27Å; V102-L106 PolarHBondContact O-N 2.84Å; K103-L106 PolarHBondContact O-N 3.33Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 2.91Å; L106-L109 PolarHBondContact O-N 3.3Å; L106-L110 WeakPolarHBondContact O-CG 2.87Å; L106-L110 PolarHBondContact O-N 3.4Å; L106-L110 VanDerWaalsContact O-N 3.14Å
107K94.4Very high89.9Confident100 Ų10080.9 Ų80.944%0.43541%0.414SS..Hα-helixtrans-58.8-41.4174.4-72.4172.1176.7176.30112K103 E104 L109 L110 A111K103-K107 WeakPolarHBondContact O-CG 3.47Å; K103-K107 PolarHBondContact O-N 3.28Å; K103-K107 VanDerWaalsContact O-N 3.09Å; E104-K107 PolarHBondContact O-N 3.25Å; E104-K107 IonicContact OE1-NZ 3.43Å; E104-K107 PolarHBondContact OE1-NZ 3.34Å; E104-K107 WeakPolarHBondContact OE2-CD 3.26Å; E104-K107 IonicContact OE2-NZ 3.64Å; E104-K107 PolarHBondContact OE2-NZ 3.03Å; K107-L109 PolarHBondContact O-N 3.4Å; K107-L110 PolarHBondContact O-N 2.91Å; K107-A111 PolarHBondContact O-N 3.44Å
108S92.5Very high89.9Confident50 Ų5079.3 Ų79.335%0.3541%0.408SS..Hα-helixtrans-66-28.7-179.974.90000112.9N98 E104 A105 L106N98-S108 PolarHBondContact ND2-OG 3.48Å; E104-S108 WeakPolarHBondContact O-CB 3.41Å; E104-S108 PolarHBondContact O-N 2.96Å; E104-S108 PolarHBondContact O-OG 3.44Å; A105-S108 PolarHBondContact O-N 3.03Å; A105-S108 PolarHBondContact O-OG 3.42Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 2.91Å
109L92.3Very high89.8Confident43 Ų4382.3 Ų82.323%0.22542%0.423CS..Hα-helixtrans-80.4-22.7175.6-67.7165.6000112.9I80 M84 I90 A94 A105 L106 K107I80-L109 HydrophobicContact CG2-CD1 3.66Å; M84-L109 HydrophobicContact CB-CD1 4.49Å; M84-L109 HydrophobicContact CE-CB 3.66Å; M84-L109 HydrophobicContact CG-CD1 4.02Å; I90-L109 HydrophobicContact CG2-CD2 3.74Å; A94-L109 HydrophobicContact CB-CD1 4.03Å; A94-L109 HydrophobicContact CB-CD2 4.09Å; A94-L109 HydrophobicContact CB-CG 4.02Å; A105-L109 WeakPolarHBondContact O-CG 3.25Å; A105-L109 PolarHBondContact O-N 3.37Å; A105-L109 VanDerWaalsContact O-N 3.08Å; L106-L109 PolarHBondContact O-N 3.3Å; K107-L109 PolarHBondContact O-N 3.4Å
110L92.3Very high89.9Confident106 Ų10677.5 Ų77.556%0.55540%0.404SS*.Hα-helixtrans-90.1-14.8176.3-69.1171.4000113.5M84 L106 K107 F112M84-L110 HydrophobicContact CE-CD2 3.78Å; M84-L110 HydrophobicContact CE-CG 4.04Å; M84-L110 HydrophobicContact SD-CD2 4.32Å; M84-L110 HydrophobicContact SD-CG 4.4Å; L106-L110 WeakPolarHBondContact O-CG 2.87Å; L106-L110 PolarHBondContact O-N 3.4Å; L106-L110 VanDerWaalsContact O-N 3.14Å; K107-L110 PolarHBondContact O-N 2.91Å; L110-F112 VanDerWaalsContact O-CD2 3.29Å; L110-F112 WeakPolarHBondContact O-CD2 3.45Å; L110-F112 PolarHBondContact O-N 3.14Å
111A82Confident89.9Confident76 Ų7682.4 Ų82.463%0.62842%0.422SS*.  trans-74.9102.9178.600000109.9K107K107-A111 PolarHBondContact O-N 3.44Å
112F62.2Low89.6Confident264 Ų26482.9 Ų82.9100%1.15842%0.423SS*.  trans-85.60171-62.1-77.8000111.9L110L110-F112 VanDerWaalsContact O-CD2 3.29Å; L110-F112 WeakPolarHBondContact O-CD2 3.45Å; L110-F112 PolarHBondContact O-N 3.14Å

Retrieved 112 of 112 residues in 218.9 ms (Link to these results)