A0A087WQL8_MOUSE Loading...

Growth/differentiation factor 8

Acts specifically as a negative regulator of skeletal muscle growth.

AlphaFold DB , UniProt , Accession A0A087WQL8, Species MOUSE (Mus musculus, Mouse), Gene Mstn, Length 189 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
1M54.7Low69.8Low224 Ų224143.5 Ų143.5100%1.10368%0.677SS**  0-38.40-149.5165.5-17900112.7
2M59.7Low70.1Confident164 Ų164145.7 Ų145.781%0.80868%0.676SS**Hα-helixtrans-62.5-39.8179.9-71-97.7-132.600115.8K4 L5 Q6M2-K4 PolarHBondContact O-N 2.71Å; M2-L5 WeakPolarHBondContact O-CB 3.07Å; M2-L5 PolarHBondContact O-N 3.37Å; M2-Q6 PolarHBondContact O-N 3.26Å; M2-Q6 VanDerWaalsContact O-N 3.11Å
3Q61.5Low70.3Confident161 Ų161141.7 Ų141.775%0.75266%0.662SS**Hα-helixtrans-66.7-34-178.8-85.6176.1-2900114.1L5 Q6 M7Q3-L5 VanDerWaalsContact C-N 3.33Å; Q3-Q6 PolarHBondContact O-N 3.22Å; Q3-M7 PolarHBondContact O-N 3.27Å; Q3-M7 VanDerWaalsContact O-N 3.15Å
4K62Low70.4Confident162 Ų162142 Ų14270%0.70466%0.66SS**Hα-helixtrans-66.9-39176.6-73.1-90.6179.2172.70110.5M2 M7 Y8M2-K4 PolarHBondContact O-N 2.71Å; K4-M7 PolarHBondContact O-N 3.09Å; K4-Y8 VanDerWaalsContact O-CD2 3.3Å; K4-Y8 WeakPolarHBondContact O-CD2 3.14Å; K4-Y8 PolarHBondContact O-N 3.06Å; K4-Y8 VanDerWaalsContact O-N 3.1Å
5L70.2Confident70.2Confident119 Ų119140.8 Ų140.862%0.62366%0.657SS**Hα-helixtrans-65.8-41.8177.8-155.776.3000111.3M2 Q3 M7 Y8 V9M2-L5 WeakPolarHBondContact O-CB 3.07Å; M2-L5 PolarHBondContact O-N 3.37Å; Q3-L5 VanDerWaalsContact C-N 3.33Å; L5-M7 VanDerWaalsContact C-N 3.34Å; L5-M7 PolarHBondContact O-N 3.34Å; L5-Y8 PolarHBondContact O-N 3.38Å; L5-V9 VanDerWaalsContact O-CG2 3.32Å; L5-V9 WeakPolarHBondContact O-CG2 3.38Å; L5-V9 PolarHBondContact O-N 3.13Å
6Q70.1Confident69.9Low128 Ų128139.1 Ų139.160%0.59865%0.653SS**Hα-helixtrans-64.6-37.5179-145.1176-8.100112.5M2 Q3 Y10M2-Q6 PolarHBondContact O-N 3.26Å; M2-Q6 VanDerWaalsContact O-N 3.11Å; Q3-Q6 PolarHBondContact O-N 3.22Å; Q6-Y10 PolarHBondContact O-N 3.2Å; Q6-Y10 VanDerWaalsContact O-N 3.07Å
7M75.9Confident69.6Low118 Ų118138.4 Ų138.458%0.58165%0.653SS**Hα-helixtrans-67-41.4172.9-76.3-62.3-6000112.6Q3 K4 L5 V9 Y10 I11Q3-M7 PolarHBondContact O-N 3.27Å; Q3-M7 VanDerWaalsContact O-N 3.15Å; K4-M7 PolarHBondContact O-N 3.09Å; L5-M7 VanDerWaalsContact C-N 3.34Å; L5-M7 PolarHBondContact O-N 3.34Å; M7-V9 VanDerWaalsContact C-N 3.35Å; M7-Y10 PolarHBondContact O-N 3.34Å; M7-I11 WeakPolarHBondContact O-CD1 3.28Å; M7-I11 VanDerWaalsContact O-CG1 3.26Å; M7-I11 WeakPolarHBondContact O-CG1 3.4Å; M7-I11 PolarHBondContact O-N 3.15Å
8Y76.9Confident69.5Low169 Ų169135.3 Ų135.366%0.66366%0.655SS**Hα-helixtrans-64-39.9175.9-93.1-75000112.1K4 L5 I11 Y12K4-Y8 VanDerWaalsContact O-CD2 3.3Å; K4-Y8 WeakPolarHBondContact O-CD2 3.14Å; K4-Y8 PolarHBondContact O-N 3.06Å; K4-Y8 VanDerWaalsContact O-N 3.1Å; L5-Y8 PolarHBondContact O-N 3.38Å; Y8-I11 PolarHBondContact O-N 2.97Å; Y8-Y12 WeakPolarHBondContact O-CB 3.49Å; Y8-Y12 PolarHBondContact O-N 3.27Å
9V79.6Confident68.8Low90 Ų90131.3 Ų131.355%0.54565%0.646SS.*Hα-helixtrans-63.7-41.9175.6172.70000111.1L5 M7 Y12 L13L5-V9 VanDerWaalsContact O-CG2 3.32Å; L5-V9 WeakPolarHBondContact O-CG2 3.38Å; L5-V9 PolarHBondContact O-N 3.13Å; M7-V9 VanDerWaalsContact C-N 3.35Å; V9-Y12 PolarHBondContact O-N 2.93Å; V9-L13 WeakPolarHBondContact O-CB 3.02Å; V9-L13 PolarHBondContact O-N 3.49Å
10Y79.1Confident68.1Low150 Ų150127.1 Ų127.159%0.58864%0.638SS**Hα-helixtrans-64-41.8176.5-110.4-83000112.7Q6 M7 Y12 L13 F14Q6-Y10 PolarHBondContact O-N 3.2Å; Q6-Y10 VanDerWaalsContact O-N 3.07Å; M7-Y10 PolarHBondContact O-N 3.34Å; Y10-Y12 VanDerWaalsContact C-N 3.34Å; Y10-L13 PolarHBondContact O-N 3.02Å; Y10-F14 WeakPolarHBondContact O-CB 3.09Å; Y10-F14 PolarHBondContact O-N 3.11Å
11I78.3Confident67.4Low93 Ų93126.6 Ų126.648%0.47764%0.644SS.*Hα-helixtrans-63.8-42.4175.8-67.1163.2000110.1M7 Y8 F14 M15M7-I11 WeakPolarHBondContact O-CD1 3.28Å; M7-I11 VanDerWaalsContact O-CG1 3.26Å; M7-I11 WeakPolarHBondContact O-CG1 3.4Å; M7-I11 PolarHBondContact O-N 3.15Å; Y8-I11 PolarHBondContact O-N 2.97Å; I11-F14 PolarHBondContact O-N 2.81Å; I11-M15 VanDerWaalsContact O-CG 3.31Å; I11-M15 WeakPolarHBondContact O-CG 3.32Å; I11-M15 PolarHBondContact O-N 2.88Å
12Y72.9Confident67.2Low170 Ų170122 Ų12267%0.66763%0.628SS**Hα-helixtrans-66-39.9178.5-144.9-89.5000112.2Y8 V9 Y10 F14 M15 L16Y8-Y12 WeakPolarHBondContact O-CB 3.49Å; Y8-Y12 PolarHBondContact O-N 3.27Å; V9-Y12 PolarHBondContact O-N 2.93Å; Y10-Y12 VanDerWaalsContact C-N 3.34Å; Y12-F14 VanDerWaalsContact C-N 3.34Å; Y12-M15 PolarHBondContact O-N 2.79Å; Y12-L16 HydrophobicContact CD1-CD1 3.78Å; Y12-L16 HydrophobicContact CD1-CG 4.37Å; Y12-L16 HydrophobicContact CE1-CD1 4.17Å; Y12-L16 WeakPolarHBondContact O-CG 3.22Å; Y12-L16 PolarHBondContact O-N 3.31Å
13L73.3Confident66.3Low94 Ų94120.9 Ų120.949%0.49263%0.625SS.*Hα-helixtrans-64.6-39.7174.5-153.884.1000111.2V9 Y10 L16 I17V9-L13 WeakPolarHBondContact O-CB 3.02Å; V9-L13 PolarHBondContact O-N 3.49Å; Y10-L13 PolarHBondContact O-N 3.02Å; L13-L16 PolarHBondContact O-N 3.09Å; L13-I17 HydrophobicContact CD2-CD1 4.49Å; L13-I17 HydrophobicContact CG-CD1 4.34Å; L13-I17 WeakPolarHBondContact O-CD1 3.13Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.13Å
14F70.9Confident65.6Low146 Ų146121 Ų12164%0.6463%0.63SS**Hα-helixtrans-66.4-38.2175.8-127.4-87.5000112.2Y10 I11 Y12 I17 A18Y10-F14 WeakPolarHBondContact O-CB 3.09Å; Y10-F14 PolarHBondContact O-N 3.11Å; I11-F14 PolarHBondContact O-N 2.81Å; Y12-F14 VanDerWaalsContact C-N 3.34Å; F14-I17 PolarHBondContact O-N 2.85Å; F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 3.1Å
15M68.4Low64.5Low124 Ų124119.5 Ų119.561%0.61163%0.63SS**Hα-helixtrans-67.1-37.3174.4-70.3-63.6-70.600111.9I11 Y12 I17 A19I11-M15 VanDerWaalsContact O-CG 3.31Å; I11-M15 WeakPolarHBondContact O-CG 3.32Å; I11-M15 PolarHBondContact O-N 2.88Å; Y12-M15 PolarHBondContact O-N 2.79Å; M15-I17 VanDerWaalsContact C-N 3.3Å; M15-I17 PolarHBondContact O-N 3.05Å; M15-A19 WeakPolarHBondContact O-CB 3.24Å; M15-A19 PolarHBondContact O-N 2.98Å
16L65.1Low63.2Low114 Ų114123.5 Ų123.560%0.59765%0.645SS**Hα-helixtrans-68.3-25.5174.1-80.9160.8000113.6Y12 L13Y12-L16 HydrophobicContact CD1-CD1 3.78Å; Y12-L16 HydrophobicContact CD1-CG 4.37Å; Y12-L16 HydrophobicContact CE1-CD1 4.17Å; Y12-L16 WeakPolarHBondContact O-CG 3.22Å; Y12-L16 PolarHBondContact O-N 3.31Å; L13-L16 PolarHBondContact O-N 3.09Å
17I65.4Low61.6Low126 Ų126119.6 Ų119.665%0.64664%0.639SS**Hα-helixtrans-86.6-36.8177.2-65.2162.7000111.1L13 F14 M15L13-I17 HydrophobicContact CD2-CD1 4.49Å; L13-I17 HydrophobicContact CG-CD1 4.34Å; L13-I17 WeakPolarHBondContact O-CD1 3.13Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.13Å; F14-I17 PolarHBondContact O-N 2.85Å; M15-I17 VanDerWaalsContact C-N 3.3Å; M15-I17 PolarHBondContact O-N 3.05Å
18A66.4Low59.8Low83 Ų83120 Ų12069%0.68665%0.653SS**Hα-helixtrans-81.6-33-179.300000113.1F14F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 3.1Å
19A57.8Low58.3Low59 Ų59120.8 Ų120.849%0.48866%0.663SS.*SBendtrans-100.392.3167.500000107.8M15M15-A19 WeakPolarHBondContact O-CB 3.24Å; M15-A19 PolarHBondContact O-N 2.98Å
20G54.5Low56.5Low47 Ų47126.4 Ų126.449%0.48568%0.675SS.*  trans-51160164.300000110.7V22G20-V22 PolarHBondContact O-N 3.33Å; G20-V22 VanDerWaalsContact O-N 3.1Å
21P52.9Low54.9Low118 Ų118126.2 Ų126.277%0.76668%0.679SS**  trans-56.9124.3-170.726.3-32.8000109.5D23P21-D23 VanDerWaalsContact C-N 3.32Å; P21-D23 PolarHBondContact O-N 3.28Å
22V50.9Low53Low126 Ų126129.9 Ų129.976%0.76469%0.694SS**  trans-71.697.9163.21760000105.2G20 L24G20-V22 PolarHBondContact O-N 3.33Å; G20-V22 VanDerWaalsContact O-N 3.1Å; V22-L24 PolarHBondContact O-N 3.09Å
23D40.1Very low51.7Low141 Ų141129.9 Ų129.975%0.75471%0.706SS**  trans-62.896.6169.5-92.4-54.4000109P21 N25P21-D23 VanDerWaalsContact C-N 3.32Å; P21-D23 PolarHBondContact O-N 3.28Å; D23-N25 VanDerWaalsContact C-N 3.33Å; D23-N25 PolarHBondContact O-N 3.45Å
24L47.6Very low50.4Low165 Ų165129.9 Ų129.986%0.86471%0.71SS**  trans-84.683.2156.1-77.1168.4000107.1V22V22-L24 PolarHBondContact O-N 3.09Å
25N37.9Very low49.4Very low129 Ų129131 Ų13169%0.6972%0.717SS**  trans-127.487.5167.1-163.833.9000110.3D23D23-N25 VanDerWaalsContact C-N 3.33Å; D23-N25 PolarHBondContact O-N 3.45Å
26E43.6Very low48.6Very low204 Ų204135 Ų13595%0.95373%0.731SS**  trans-82.8101.3162.8-168.2174.4151.200107.3
27G37Very low48Very low45 Ų45137.9 Ų137.946%0.46474%0.741SS.*  trans158.3115.6173.600000116.1
28S36.3Very low47.7Very low126 Ų126134.8 Ų134.888%0.88174%0.74SS**  trans83.3118.9160.370.30000119.7
29E45.5Very low47.6Very low187 Ų187138.4 Ų138.487%0.87475%0.747SS**  trans-41.5149.3163.6-55.4170.1130.100114.8
30R42.2Very low48.7Very low208 Ų208138.4 Ų138.479%0.78574%0.743SS**  124.4122.3122.5-163164.4-177.3114.96.6114.7
31E46Very low49.9Very low145 Ų145142.2 Ų142.268%0.67875%0.752SS**  trans7285.7158.8-75.3168.6-151.800117.8
32E38.3Very low51.3Low171 Ų171139.3 Ų139.380%0.79974%0.738SS**  trans-145.388.5130.3-156.3172-172.800109.5V34E32-V34 HydrophobicContact CG-CB 4.06Å; E32-V34 HydrophobicContact CG-CG2 3.53Å; E32-V34 PolarHBondContact O-N 3.01Å
33N44.7Very low53Low169 Ų169136.3 Ų136.390%0.90472%0.722SS**  trans-72.178.8161.3-87.7-69.4000107.6
34V45.8Very low55.2Low95 Ų95131.8 Ų131.858%0.57670%0.704SS**  trans-114101.8167169.60000107.5E32 K36E32-V34 HydrophobicContact CG-CB 4.06Å; E32-V34 HydrophobicContact CG-CG2 3.53Å; E32-V34 PolarHBondContact O-N 3.01Å; V34-K36 PolarHBondContact O-N 3.02Å
35E51.5Low56.9Low169 Ų169132.1 Ų132.179%0.7969%0.694SS**  trans28.280.5153.4-66179.5168.400116.4E37E35-E37 VanDerWaalsContact C-N 3.3Å
36K50.1Low59.3Low209 Ų209134.3 Ų134.391%0.90969%0.693SS**  trans-97.166.9142-76.7-176.6-180171.70108.8V34 G38V34-K36 PolarHBondContact O-N 3.02Å; K36-G38 PolarHBondContact O-N 3.13Å
37E53.8Low61.3Low174 Ų174131.2 Ų131.281%0.81368%0.678SS**  trans-66.968.9148.2-69.6-163.1165.400107.7E35 L39E35-E37 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 3.29Å
38G58.6Low63.7Low61 Ų61134.1 Ų134.163%0.62968%0.683SS**  trans-61.5112.216800000106.9K36 C40K36-G38 PolarHBondContact O-N 3.13Å; G38-C40 PolarHBondContact O-N 3.13Å
39L64.4Low66.2Low159 Ų159129.7 Ų129.783%0.83265%0.651SS**  trans-49.988167.1-69.4157.4000108.7E37 N41E37-L39 PolarHBondContact O-N 3.29Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 3.08Å
40C81.8Confident68.5Low58 Ų58129.4 Ų129.439%0.39264%0.642SS.*  trans-73.188.6177.5174.80000107.1G38 A42 C43 A44G38-C40 PolarHBondContact O-N 3.13Å; C40-A42 PolarHBondContact O-N 3.39Å; C40-A42 VanDerWaalsContact O-N 3.16Å; C40-C43 HydrophobicContact CB-CB 3.58Å; C40-C43 WeakPolarHBondContact CB-SG 3.33Å; C40-C43 WeakPolarHBondContact O-CA 3.38Å; C40-C43 WeakPolarHBondContact O-CB 3.16Å; C40-C43 PolarHBondContact O-N 2.77Å; C40-C43 WeakPolarHBondContact SG-CB 3.3Å; C40-C43 PolarHBondContact SG-N 3.45Å; C40-C43 CovalentContact SG-SG 2.05Å; C40-C43 PolarHBondContact SG-SG 3.38Å; C40-A44 PolarHBondContact O-N 3.32Å
41N79.6Confident71Confident127 Ų127125.7 Ų125.768%0.67963%0.629SS**Hα-helixtrans-55.8-32.6179.1-68.5-27000111.7L39 W45L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 3.08Å; N41-W45 WeakPolarHBondContact O-CB 3.41Å; N41-W45 PolarHBondContact O-N 3.44Å
42A82.3Confident73.1Confident57 Ų57122.2 Ų122.247%0.47162%0.62SS.*Hα-helixtrans-67.8-35.8173.400000112.9C40 R46C40-A42 PolarHBondContact O-N 3.39Å; C40-A42 VanDerWaalsContact O-N 3.16Å; A42-R46 WeakPolarHBondContact O-CB 3.19Å; A42-R46 WeakPolarHBondContact O-CG 3.46Å; A42-R46 PolarHBondContact O-N 3.39Å
43C86.6Confident75.8Confident63 Ų63122.2 Ų122.243%0.42661%0.613SS.*Hα-helixtrans-72.7-45.8177.4-52.30000110.4C40 W45 R46 Q47C40-C43 HydrophobicContact CB-CB 3.58Å; C40-C43 WeakPolarHBondContact CB-SG 3.33Å; C40-C43 WeakPolarHBondContact O-CA 3.38Å; C40-C43 WeakPolarHBondContact O-CB 3.16Å; C40-C43 PolarHBondContact O-N 2.77Å; C40-C43 WeakPolarHBondContact SG-CB 3.3Å; C40-C43 PolarHBondContact SG-N 3.45Å; C40-C43 CovalentContact SG-SG 2.05Å; C40-C43 PolarHBondContact SG-SG 3.38Å; C43-W45 VanDerWaalsContact C-N 3.35Å; C43-W45 PolarHBondContact O-N 3.49Å; C43-R46 PolarHBondContact O-N 3.06Å; C43-Q47 WeakPolarHBondContact O-CB 3.39Å; C43-Q47 PolarHBondContact O-N 3.4Å
44A85.1Confident78.2Confident46 Ų46117.3 Ų117.338%0.3859%0.586SS.*Hα-helixtrans-60.8-42.5173.500000111.6C40 Q47 N48C40-A44 PolarHBondContact O-N 3.32Å; A44-Q47 PolarHBondContact O-N 3.43Å; A44-N48 WeakPolarHBondContact O-CB 3.29Å; A44-N48 VanDerWaalsContact O-CG 3.28Å; A44-N48 PolarHBondContact O-N 2.91Å; A44-N48 PolarHBondContact O-OD1 3.16Å
45W84.4Confident80.4Confident173 Ų173116.5 Ų116.566%0.65558%0.576SS**Hα-helixtrans-64.9-42.8175.4-178.282.6000112.6N41 C43 Q47 N48 T49N41-W45 WeakPolarHBondContact O-CB 3.41Å; N41-W45 PolarHBondContact O-N 3.44Å; C43-W45 VanDerWaalsContact C-N 3.35Å; C43-W45 PolarHBondContact O-N 3.49Å; W45-Q47 VanDerWaalsContact C-N 3.3Å; W45-Q47 PolarHBondContact O-N 3.48Å; W45-N48 PolarHBondContact O-N 3.44Å; W45-T49 VanDerWaalsContact O-CB 3.3Å; W45-T49 WeakPolarHBondContact O-CB 3.28Å; W45-T49 PolarHBondContact O-N 3.42Å; W45-T49 PolarHBondContact O-OG1 2.92Å
46R86.7Confident82.3Confident174 Ų174111 Ų11166%0.65756%0.56SS**Hα-helixtrans-61.1-40.4173.4-77.8171.2-176.2-178.62111.4A42 C43 R50A42-R46 WeakPolarHBondContact O-CB 3.19Å; A42-R46 WeakPolarHBondContact O-CG 3.46Å; A42-R46 PolarHBondContact O-N 3.39Å; C43-R46 PolarHBondContact O-N 3.06Å; R46-R50 VanDerWaalsContact O-CB 3.24Å; R46-R50 WeakPolarHBondContact O-CB 3.37Å; R46-R50 PolarHBondContact O-N 2.83Å
47Q87Confident84.4Confident139 Ų139105.3 Ų105.365%0.6554%0.538SS*.Hα-helixtrans-69-43.9179.5-167.5161.1-5.800111.6C43 A44 W45 R50 Y51C43-Q47 WeakPolarHBondContact O-CB 3.39Å; C43-Q47 PolarHBondContact O-N 3.4Å; A44-Q47 PolarHBondContact O-N 3.43Å; W45-Q47 VanDerWaalsContact C-N 3.3Å; W45-Q47 PolarHBondContact O-N 3.48Å; Q47-R50 PolarHBondContact O-N 3.39Å; Q47-Y51 WeakPolarHBondContact O-CB 3.48Å; Q47-Y51 PolarHBondContact O-N 2.83Å
48N87.4Confident86.3Confident107 Ų107102.7 Ų102.757%0.57252%0.524SS*.Hα-helixtrans-62.7-45.2173.9-72.90.2000111.2A44 W45 R50 Y51 S52A44-N48 WeakPolarHBondContact O-CB 3.29Å; A44-N48 VanDerWaalsContact O-CG 3.28Å; A44-N48 PolarHBondContact O-N 2.91Å; A44-N48 PolarHBondContact O-OD1 3.16Å; W45-N48 PolarHBondContact O-N 3.44Å; N48-R50 VanDerWaalsContact C-N 3.32Å; N48-R50 PolarHBondContact O-N 3.45Å; N48-Y51 PolarHBondContact O-N 3.4Å; N48-S52 PolarHBondContact O-N 3.4Å; N48-S52 PolarHBondContact O-OG 3.17Å; N48-S52 VanDerWaalsContact O-OG 3.13Å
49T89.1Confident87.8Confident33 Ų33105.4 Ų105.420%0.20252%0.523CS..Hα-helixtrans-62-41.4176.7-55.60000111.3W45 R53W45-T49 VanDerWaalsContact O-CB 3.3Å; W45-T49 WeakPolarHBondContact O-CB 3.28Å; W45-T49 PolarHBondContact O-N 3.42Å; W45-T49 PolarHBondContact O-OG1 2.92Å; T49-R53 WeakPolarHBondContact O-CB 3.39Å; T49-R53 VanDerWaalsContact O-CG 3.25Å; T49-R53 WeakPolarHBondContact O-CG 3.5Å; T49-R53 PolarHBondContact O-N 3.16Å
50R93.4Very high88.9Confident180 Ų180102.2 Ų102.268%0.67950%0.504SS*.Hα-helixtrans-62.3-44.8174.8-177.6-177.5177.7-169.80.5110.9R46 Q47 N48 R53 I54R46-R50 VanDerWaalsContact O-CB 3.24Å; R46-R50 WeakPolarHBondContact O-CB 3.37Å; R46-R50 PolarHBondContact O-N 2.83Å; Q47-R50 PolarHBondContact O-N 3.39Å; N48-R50 VanDerWaalsContact C-N 3.32Å; N48-R50 PolarHBondContact O-N 3.45Å; R50-R53 PolarHBondContact O-N 3.12Å; R50-I54 HydrophobicContact CG-CD1 3.92Å; R50-I54 VanDerWaalsContact O-CG1 3.24Å; R50-I54 WeakPolarHBondContact O-CG1 3.34Å; R50-I54 PolarHBondContact O-N 3.09Å
51Y93.6Very high89.4Confident131 Ų131103.8 Ų103.851%0.51451%0.507SS..Hα-helixtrans-62.9-48.2179-174.6-96.2000111.5Q47 N48 R53 I54 E55Q47-Y51 WeakPolarHBondContact O-CB 3.48Å; Q47-Y51 PolarHBondContact O-N 2.83Å; N48-Y51 PolarHBondContact O-N 3.4Å; Y51-R53 VanDerWaalsContact C-N 3.33Å; Y51-R53 PolarHBondContact O-N 3.47Å; Y51-I54 WeakPolarHBondContact O-CB 3.17Å; Y51-I54 PolarHBondContact O-N 2.85Å; Y51-I54 VanDerWaalsContact O-N 3.11Å; Y51-E55 HydrophobicContact CD1-CG 4.36Å; Y51-E55 HydrophobicContact CE1-CG 3.94Å; Y51-E55 WeakPolarHBondContact CE1-OE1 3.23Å; Y51-E55 PolarHBondContact O-N 3.3Å; Y51-E55 PolarHBondContact OH-OE1 2.93Å
52S91.4Very high89.8Confident71 Ų71100 Ų10050%0.49749%0.487SS..Hα-helixtrans-60.6-39.5175.4-58.50000112.6N48 E55 A56N48-S52 PolarHBondContact O-N 3.4Å; N48-S52 PolarHBondContact O-OG 3.17Å; N48-S52 VanDerWaalsContact O-OG 3.13Å; S52-E55 PolarHBondContact O-N 3.13Å; S52-A56 WeakPolarHBondContact O-CB 3.45Å; S52-A56 PolarHBondContact O-N 3.45Å
53R94.2Very high90.1Very high171 Ų17199.7 Ų99.765%0.64548%0.482SS*.Hα-helixtrans-64.2-41.1174.1-75.3176.2-174.7-177.32.6111.9T49 R50 Y51 E55 A56 I57T49-R53 WeakPolarHBondContact O-CB 3.39Å; T49-R53 VanDerWaalsContact O-CG 3.25Å; T49-R53 WeakPolarHBondContact O-CG 3.5Å; T49-R53 PolarHBondContact O-N 3.16Å; R50-R53 PolarHBondContact O-N 3.12Å; Y51-R53 VanDerWaalsContact C-N 3.33Å; Y51-R53 PolarHBondContact O-N 3.47Å; R53-E55 VanDerWaalsContact C-N 3.34Å; R53-A56 PolarHBondContact O-N 3.43Å; R53-I57 VanDerWaalsContact O-CG1 3.23Å; R53-I57 WeakPolarHBondContact O-CG1 3.48Å; R53-I57 PolarHBondContact O-N 2.86Å
54I95.2Very high90.1Very high67 Ų67100.8 Ų100.834%0.34448%0.479SS..Hα-helixtrans-63.3-42.5177.1-71.5165000110.5R50 Y51 I57 K58R50-I54 HydrophobicContact CG-CD1 3.92Å; R50-I54 VanDerWaalsContact O-CG1 3.24Å; R50-I54 WeakPolarHBondContact O-CG1 3.34Å; R50-I54 PolarHBondContact O-N 3.09Å; Y51-I54 WeakPolarHBondContact O-CB 3.17Å; Y51-I54 PolarHBondContact O-N 2.85Å; Y51-I54 VanDerWaalsContact O-N 3.11Å; I54-I57 PolarHBondContact O-N 3.49Å; I54-K58 HydrophobicContact CG2-CD 4.38Å; I54-K58 WeakPolarHBondContact O-CG 3.44Å; I54-K58 PolarHBondContact O-N 2.87Å
55E92.4Very high90Very high77 Ų77103.1 Ų103.136%0.3649%0.485SS..Hα-helixtrans-63.9-43175.7-70-173.9148.400112.1Y51 S52 R53 I57 K58 I59Y51-E55 HydrophobicContact CD1-CG 4.36Å; Y51-E55 HydrophobicContact CE1-CG 3.94Å; Y51-E55 WeakPolarHBondContact CE1-OE1 3.23Å; Y51-E55 PolarHBondContact O-N 3.3Å; Y51-E55 PolarHBondContact OH-OE1 2.93Å; S52-E55 PolarHBondContact O-N 3.13Å; R53-E55 VanDerWaalsContact C-N 3.34Å; E55-I57 VanDerWaalsContact C-N 3.34Å; E55-I57 PolarHBondContact O-N 2.83Å; E55-K58 WeakPolarHBondContact O-CB 3.35Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-I59 WeakPolarHBondContact O-CG1 3.25Å; E55-I59 PolarHBondContact O-N 3.34Å; E55-I59 VanDerWaalsContact O-N 3.09Å
56A92Very high90Very high55 Ų55103.1 Ų103.146%0.45549%0.485SS..Hα-helixtrans-59.7-44.2174.500000111.9S52 R53 K58 I59 Q60S52-A56 WeakPolarHBondContact O-CB 3.45Å; S52-A56 PolarHBondContact O-N 3.45Å; R53-A56 PolarHBondContact O-N 3.43Å; A56-K58 PolarHBondContact O-N 3.03Å; A56-I59 PolarHBondContact O-N 3.42Å; A56-Q60 VanDerWaalsContact O-CB 3.29Å; A56-Q60 WeakPolarHBondContact O-CB 3.4Å; A56-Q60 PolarHBondContact O-N 3.12Å
57I93.8Very high89.8Confident89 Ų8998.3 Ų98.346%0.45647%0.471SS..Hα-helixtrans-62.2-43.5176.9-70.2164.5000110.9R53 I54 E55 I59 Q60 I61R53-I57 VanDerWaalsContact O-CG1 3.23Å; R53-I57 WeakPolarHBondContact O-CG1 3.48Å; R53-I57 PolarHBondContact O-N 2.86Å; I54-I57 PolarHBondContact O-N 3.49Å; E55-I57 VanDerWaalsContact C-N 3.34Å; E55-I57 PolarHBondContact O-N 2.83Å; I57-I59 VanDerWaalsContact C-N 3.33Å; I57-I59 PolarHBondContact O-N 3.06Å; I57-Q60 PolarHBondContact O-N 3.02Å; I57-I61 HydrophobicContact CG2-CD1 3.65Å; I57-I61 HydrophobicContact CG2-CG1 4.23Å; I57-I61 WeakPolarHBondContact O-CB 3.33Å; I57-I61 VanDerWaalsContact O-CG1 3.28Å; I57-I61 WeakPolarHBondContact O-CG1 3.39Å; I57-I61 PolarHBondContact O-N 3.15Å
58K92.3Very high89.7Confident119 Ų119100.8 Ų100.852%0.51748%0.483SS..Hα-helixtrans-56.9-47.9177.1-74.2171.3-179.8176.80111.3I54 E55 A56 I61 L62I54-K58 HydrophobicContact CG2-CD 4.38Å; I54-K58 WeakPolarHBondContact O-CG 3.44Å; I54-K58 PolarHBondContact O-N 2.87Å; E55-K58 WeakPolarHBondContact O-CB 3.35Å; E55-K58 PolarHBondContact O-N 2.9Å; A56-K58 PolarHBondContact O-N 3.03Å; K58-I61 PolarHBondContact O-N 3.01Å; K58-L62 WeakPolarHBondContact O-CG 3.24Å; K58-L62 PolarHBondContact O-N 3.48Å; K58-L62 VanDerWaalsContact O-N 3.15Å
59I90.3Very high89.6Confident117 Ų117100.8 Ų100.860%0.649%0.487SS*.Hα-helixtrans-66.8-42.4179.8-62.7164.1000110.5E55 A56 I57 I61 L62 S63E55-I59 WeakPolarHBondContact O-CG1 3.25Å; E55-I59 PolarHBondContact O-N 3.34Å; E55-I59 VanDerWaalsContact O-N 3.09Å; A56-I59 PolarHBondContact O-N 3.42Å; I57-I59 VanDerWaalsContact C-N 3.33Å; I57-I59 PolarHBondContact O-N 3.06Å; I59-I61 PolarHBondContact O-N 2.87Å; I59-L62 PolarHBondContact O-N 3.37Å; I59-S63 WeakPolarHBondContact O-CB 3.48Å; I59-S63 PolarHBondContact O-N 3.28Å
60Q88.1Confident89.5Confident93 Ų93102.6 Ų102.644%0.43551%0.505SS..Hα-helixtrans-62.6-41.8179-168.8179.317.500111.6A56 I57 S63 K64A56-Q60 VanDerWaalsContact O-CB 3.29Å; A56-Q60 WeakPolarHBondContact O-CB 3.4Å; A56-Q60 PolarHBondContact O-N 3.12Å; I57-Q60 PolarHBondContact O-N 3.02Å; Q60-S63 PolarHBondContact O-N 2.91Å; Q60-K64 HydrophobicContact CG-CD 4.48Å; Q60-K64 HydrophobicContact CG-CG 4.46Å; Q60-K64 WeakPolarHBondContact O-CB 2.92Å; Q60-K64 VanDerWaalsContact O-CG 3.3Å; Q60-K64 WeakPolarHBondContact O-CG 3.24Å; Q60-K64 PolarHBondContact O-N 3.41Å
61I91.5Very high89Confident90 Ų9098.1 Ų98.146%0.46250%0.5SS..Hα-helixtrans-60.8-48.7175.1-71.2168.1000110.6I57 K58 I59 S63 K64 L65I57-I61 HydrophobicContact CG2-CD1 3.65Å; I57-I61 HydrophobicContact CG2-CG1 4.23Å; I57-I61 WeakPolarHBondContact O-CB 3.33Å; I57-I61 VanDerWaalsContact O-CG1 3.28Å; I57-I61 WeakPolarHBondContact O-CG1 3.39Å; I57-I61 PolarHBondContact O-N 3.15Å; K58-I61 PolarHBondContact O-N 3.01Å; I59-I61 PolarHBondContact O-N 2.87Å; I61-S63 VanDerWaalsContact C-N 3.32Å; I61-S63 PolarHBondContact O-N 3.46Å; I61-K64 PolarHBondContact O-N 3.15Å; I61-L65 HydrophobicContact CG2-CD1 3.79Å; I61-L65 HydrophobicContact CG2-CG 4.4Å; I61-L65 WeakPolarHBondContact O-CB 3.3Å; I61-L65 WeakPolarHBondContact O-CG 3.4Å; I61-L65 PolarHBondContact O-N 3.18Å
62L89.5Confident88.5Confident47 Ų47100 Ų10025%0.24652%0.519CS..Hα-helixtrans-60.3-42.6178.4-69173.6000111.6K58 I59 L65 R66 L67 A70K58-L62 WeakPolarHBondContact O-CG 3.24Å; K58-L62 PolarHBondContact O-N 3.48Å; K58-L62 VanDerWaalsContact O-N 3.15Å; I59-L62 PolarHBondContact O-N 3.37Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-R66 PolarHBondContact O-N 3.24Å; L62-L67 HydrophobicContact CD2-CB 4.14Å; L62-L67 PolarHBondContact O-N 3.21Å; L62-A70 HydrophobicContact CD2-CB 4.46Å
63S88.4Confident88Confident52 Ų52101 Ų10136%0.36452%0.517SS..Hα-helixtrans-61.8-48.2175.5179.10000112.2I59 Q60 I61 L65 R66 Y112I59-S63 WeakPolarHBondContact O-CB 3.48Å; I59-S63 PolarHBondContact O-N 3.28Å; Q60-S63 PolarHBondContact O-N 2.91Å; I61-S63 VanDerWaalsContact C-N 3.32Å; I61-S63 PolarHBondContact O-N 3.46Å; S63-L65 VanDerWaalsContact C-N 3.33Å; S63-L65 PolarHBondContact O-N 2.96Å; S63-R66 PolarHBondContact O-N 2.86Å; S63-Y112 PolarHBondContact OG-OH 3.38Å; S63-Y112 VanDerWaalsContact OG-OH 3.09Å
64K86.5Confident87.4Confident86 Ų8696.1 Ų96.137%0.37451%0.509SS..Hα-helixtrans-63.1-38.9179.1-74.9-167.6173.9-154.10112.4Q60 I61 R66Q60-K64 HydrophobicContact CG-CD 4.48Å; Q60-K64 HydrophobicContact CG-CG 4.46Å; Q60-K64 WeakPolarHBondContact O-CB 2.92Å; Q60-K64 VanDerWaalsContact O-CG 3.3Å; Q60-K64 WeakPolarHBondContact O-CG 3.24Å; Q60-K64 PolarHBondContact O-N 3.41Å; I61-K64 PolarHBondContact O-N 3.15Å; K64-R66 PolarHBondContact O-N 3.29Å
65L83.6Confident86.5Confident95 Ų95101.1 Ų101.150%0.49753%0.529SS..THydrogen-bonded Turntrans-79.3-4.2176.1-64.7177000113.5I61 L62 S63 L67I61-L65 HydrophobicContact CG2-CD1 3.79Å; I61-L65 HydrophobicContact CG2-CG 4.4Å; I61-L65 WeakPolarHBondContact O-CB 3.3Å; I61-L65 WeakPolarHBondContact O-CG 3.4Å; I61-L65 PolarHBondContact O-N 3.18Å; L62-L65 PolarHBondContact O-N 3.13Å; S63-L65 VanDerWaalsContact C-N 3.33Å; S63-L65 PolarHBondContact O-N 2.96Å; L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 HydrophobicContact CB-CD1 3.85Å; L65-L67 HydrophobicContact CB-CG 3.9Å; L65-L67 HydrophobicContact CD1-CD1 4.1Å; L65-L67 PolarHBondContact O-N 3.41Å
66R83.5Confident85.4Confident173 Ų173102 Ų10265%0.65354%0.536SS*.THydrogen-bonded Turntrans55.641.4-176.1-57.5178.7171.4-173.8-6.8112.3L62 S63 K64 H113L62-R66 PolarHBondContact O-N 3.24Å; S63-R66 PolarHBondContact O-N 2.86Å; K64-R66 PolarHBondContact O-N 3.29Å; R66-H113 PolarHBondContact NE-CE1 2.89Å; R66-H113 VanDerWaalsContact NE-CE1 3.32Å; R66-H113 PolarHBondContact NE-ND1 3.1Å; R66-H113 VanDerWaalsContact NE-ND1 3.16Å; R66-H113 PolarHBondContact NH2-CD2 3.09Å; R66-H113 VanDerWaalsContact NH2-CG 3.35Å; R66-H113 PolarHBondContact NH2-NE2 3.41Å
67L83.4Confident84.3Confident72 Ų72100.6 Ų100.638%0.37752%0.524SS..  trans-109.4132.2177.4-62.4175.2000109.6L62 L65L62-L67 HydrophobicContact CD2-CB 4.14Å; L62-L67 PolarHBondContact O-N 3.21Å; L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 HydrophobicContact CB-CD1 3.85Å; L65-L67 HydrophobicContact CB-CG 3.9Å; L65-L67 HydrophobicContact CD1-CD1 4.1Å; L65-L67 PolarHBondContact O-N 3.41Å
68E83.4Confident83.2Confident192 Ų19299.8 Ų99.890%0.89752%0.52SS*.SBendtrans-74.1-38174-65.2-178.7176.300111.5
69T87Confident82Confident106 Ų106103.2 Ų103.265%0.6553%0.53SS*.SBendtrans-137.7154.7-17954.90000110.5
70A86.9Confident80.8Confident71 Ų71105.5 Ų105.559%0.58754%0.538SS*.  trans-63.1132.9173.300000109.5L62 N72L62-A70 HydrophobicContact CD2-CB 4.46Å; A70-N72 PolarHBondContact O-N 3.2Å
71P82.6Confident79.6Confident87 Ų87106.7 Ų106.757%0.56555%0.547SS*.  trans-62.9126.7-179.124.1-31.9000110I73P71-I73 HydrophobicContact CB-CD1 4.12Å; P71-I73 HydrophobicContact CB-CG1 4.19Å; P71-I73 PolarHBondContact O-N 3.47Å
72N82.9Confident78.4Confident170 Ų170106.2 Ų106.291%0.90954%0.544SS*.  trans-79.383.4-178.8-172.34.3000110.4A70A70-N72 PolarHBondContact O-N 3.2Å
73I81Confident77.1Confident92 Ų92106.5 Ų106.547%0.47255%0.549SS..  trans-125.3123.1-179.6-48.6176.1000108.9P71 A77 I78P71-I73 HydrophobicContact CB-CD1 4.12Å; P71-I73 HydrophobicContact CB-CG1 4.19Å; P71-I73 PolarHBondContact O-N 3.47Å; I73-A77 HydrophobicContact CG2-CB 3.9Å; I73-I78 HydrophobicContact CB-CG1 4.43Å; I73-I78 HydrophobicContact CG2-CD1 4.38Å; I73-I78 HydrophobicContact CG2-CG1 3.59Å
74S80.3Confident75.8Confident68 Ų68115.7 Ų115.748%0.47658%0.576SS.*  trans-76.2155.7176.471.30000111.7D76 A77 I78S74-D76 PolarHBondContact O-N 2.99Å; S74-A77 WeakPolarHBondContact O-CB 3.15Å; S74-A77 PolarHBondContact O-N 3.16Å; S74-A77 VanDerWaalsContact O-N 3.13Å; S74-A77 WeakPolarHBondContact OG-CB 3.32Å; S74-A77 PolarHBondContact OG-N 3.49Å; S74-A77 VanDerWaalsContact OG-N 3.16Å; S74-I78 WeakPolarHBondContact O-CG1 3.4Å; S74-I78 PolarHBondContact O-N 3.26Å
75K76.8Confident74.6Confident173 Ų173112.4 Ų112.475%0.75257%0.565SS**Hα-helixtrans-57.4-31.7177.1-70.3-175.3179.4-179.40112.9R79K75-R79 WeakPolarHBondContact O-CG 3.05Å; K75-R79 PolarHBondContact O-N 3.25Å
76D70.6Confident73.6Confident94 Ų94111.5 Ų111.550%0.50357%0.565SS.*Hα-helixtrans-78.9-35.5178.4-61.4-46.4000112.3S74 I78 R79 Q80S74-D76 PolarHBondContact O-N 2.99Å; D76-I78 VanDerWaalsContact C-N 3.29Å; D76-I78 PolarHBondContact O-N 2.97Å; D76-R79 PolarHBondContact O-N 3.37Å; D76-R79 IonicContact OD1-NH1 3.43Å; D76-Q80 WeakPolarHBondContact O-CG 3.33Å; D76-Q80 PolarHBondContact O-N 3.44Å; D76-Q80 VanDerWaalsContact O-N 3.09Å
77A68.9Low72.7Confident26 Ų26104.5 Ų104.522%0.21554%0.542CS..Hα-helixtrans-61.6-40.5169.500000110.7I73 S74 R79 Q80 L81I73-A77 HydrophobicContact CG2-CB 3.9Å; S74-A77 WeakPolarHBondContact O-CB 3.15Å; S74-A77 PolarHBondContact O-N 3.16Å; S74-A77 VanDerWaalsContact O-N 3.13Å; S74-A77 WeakPolarHBondContact OG-CB 3.32Å; S74-A77 PolarHBondContact OG-N 3.49Å; S74-A77 VanDerWaalsContact OG-N 3.16Å; A77-R79 VanDerWaalsContact C-N 3.33Å; A77-R79 PolarHBondContact O-N 2.91Å; A77-Q80 PolarHBondContact O-N 3.33Å; A77-L81 HydrophobicContact CB-CD1 4.24Å; A77-L81 WeakPolarHBondContact O-CB 3.08Å; A77-L81 WeakPolarHBondContact O-CG 3.1Å; A77-L81 PolarHBondContact O-N 2.95Å
78I70.6Confident72Confident72 Ų72102.3 Ų102.337%0.36953%0.53SS..Hα-helixtrans-57.9-45173.8-67.9172000111I73 S74 D76 Q80 L81 L82I73-I78 HydrophobicContact CB-CG1 4.43Å; I73-I78 HydrophobicContact CG2-CD1 4.38Å; I73-I78 HydrophobicContact CG2-CG1 3.59Å; S74-I78 WeakPolarHBondContact O-CG1 3.4Å; S74-I78 PolarHBondContact O-N 3.26Å; D76-I78 VanDerWaalsContact C-N 3.29Å; D76-I78 PolarHBondContact O-N 2.97Å; I78-Q80 VanDerWaalsContact C-N 3.32Å; I78-Q80 PolarHBondContact O-N 3.35Å; I78-L81 PolarHBondContact O-N 3.09Å; I78-L82 HydrophobicContact CG2-CD1 3.3Å; I78-L82 HydrophobicContact CG2-CG 4.01Å; I78-L82 WeakPolarHBondContact O-CB 3.37Å; I78-L82 WeakPolarHBondContact O-CG 3.42Å; I78-L82 PolarHBondContact O-N 2.95Å
79R66.6Low71.1Confident192 Ų192101.7 Ų101.773%0.72552%0.52SS*.Hα-helixtrans-66.6-30.1179.5-73.5172.2173.8169.5-5.3114K75 D76 A77K75-R79 WeakPolarHBondContact O-CG 3.05Å; K75-R79 PolarHBondContact O-N 3.25Å; D76-R79 PolarHBondContact O-N 3.37Å; D76-R79 IonicContact OD1-NH1 3.43Å; A77-R79 VanDerWaalsContact C-N 3.33Å; A77-R79 PolarHBondContact O-N 2.91Å
80Q64.8Low70.3Confident165 Ų165103.1 Ų103.177%0.77152%0.519SS*.Hα-helixtrans-83.6-38.1178-69178.47.600112.1D76 A77 I78D76-Q80 WeakPolarHBondContact O-CG 3.33Å; D76-Q80 PolarHBondContact O-N 3.44Å; D76-Q80 VanDerWaalsContact O-N 3.09Å; A77-Q80 PolarHBondContact O-N 3.33Å; I78-Q80 VanDerWaalsContact C-N 3.32Å; I78-Q80 PolarHBondContact O-N 3.35Å
81L62.9Low69.4Low118 Ų118102 Ų10262%0.61850%0.502SS*.Hα-helixtrans-87.6-26.7-174.6-64.6172000113.3A77 I78 P83A77-L81 HydrophobicContact CB-CD1 4.24Å; A77-L81 WeakPolarHBondContact O-CB 3.08Å; A77-L81 WeakPolarHBondContact O-CG 3.1Å; A77-L81 PolarHBondContact O-N 2.95Å; I78-L81 PolarHBondContact O-N 3.09Å; L81-P83 WeakPolarHBondContact O-CD 3.33Å
82L65.6Low68.8Low79 Ų79102.5 Ų102.541%0.41450%0.499SS..SBendtrans-78.6108.2171.7-75.2175.2000109.1I78 R84 L88I78-L82 HydrophobicContact CG2-CD1 3.3Å; I78-L82 HydrophobicContact CG2-CG 4.01Å; I78-L82 WeakPolarHBondContact O-CB 3.37Å; I78-L82 WeakPolarHBondContact O-CG 3.42Å; I78-L82 PolarHBondContact O-N 2.95Å; L82-R84 PolarHBondContact O-N 3.38Å; L82-L88 HydrophobicContact CD2-CD1 4.01Å; L82-L88 HydrophobicContact CD2-CD2 3.79Å
83P61.8Low68.2Low53 Ų5398.5 Ų98.534%0.34448%0.478SS..  trans-62.3141.3171.128.2-34.3000108.6L81 A85 L88 M122L81-P83 WeakPolarHBondContact O-CD 3.33Å; P83-A85 HydrophobicContact CB-CB 4.31Å; P83-A85 HydrophobicContact CG-CB 4.3Å; P83-A85 PolarHBondContact O-N 3.36Å; P83-L88 HydrophobicContact CG-CD1 4.05Å; P83-M122 HydrophobicContact CG-CE 3.57Å; P83-M122 HydrophobicContact CG-SD 4.28Å
84R61.2Low67.5Low246 Ų246100 Ų10093%0.92848%0.483SS*.  trans-73.357.7167.1-65-175.9-177.5-178.50.3109.9L82L82-R84 PolarHBondContact O-N 3.38Å
85A61.4Low66.9Low17 Ų17103.2 Ų103.214%0.1449%0.486CS..  trans-85.7133.2177.600000108.5P83 P87 L88 R89P83-A85 HydrophobicContact CB-CB 4.31Å; P83-A85 HydrophobicContact CG-CB 4.3Å; P83-A85 PolarHBondContact O-N 3.36Å; A85-P87 VanDerWaalsContact C-N 3.33Å; A85-P87 HydrophobicContact CB-CG 4.06Å; A85-L88 WeakPolarHBondContact O-CB 3.33Å; A85-L88 PolarHBondContact O-N 2.93Å; A85-L88 VanDerWaalsContact O-N 3.08Å; A85-R89 PolarHBondContact O-N 3.4Å
86P62.8Low66.1Low76 Ų76101.3 Ų101.349%0.49448%0.484SS..Hα-helixtrans-44-44.7172.9-28.735.5000115.8L88 R89 E90 W158P86-L88 VanDerWaalsContact C-N 3.28Å; P86-L88 PolarHBondContact O-N 2.87Å; P86-R89 PolarHBondContact O-N 2.95Å; P86-R89 VanDerWaalsContact O-N 3.13Å; P86-E90 PolarHBondContact O-N 3.11Å; P86-W158 HydrophobicContact CB-CH2 4.29Å; P86-W158 HydrophobicContact CB-CZ3 4.07Å; P86-W158 HydrophobicContact CG-CZ3 3.94Å
87P65.8Low65.4Low26 Ų26102.1 Ų102.117%0.16949%0.492CS..Hα-helixtrans-67.9-27.1-177.829-40.7000113.4A85 R89 L91 W158A85-P87 VanDerWaalsContact C-N 3.33Å; A85-P87 HydrophobicContact CB-CG 4.06Å; P87-R89 VanDerWaalsContact C-N 3.31Å; P87-L91 VanDerWaalsContact O-CG 3.28Å; P87-L91 WeakPolarHBondContact O-CG 3.47Å; P87-L91 PolarHBondContact O-N 2.74Å; P87-L91 VanDerWaalsContact O-N 3.13Å; P87-W158 HydrophobicContact CB-CZ2 3.99Å; P87-W158 HydrophobicContact CG-CD2 3.97Å; P87-W158 VanDerWaalsContact CG-CE2 3.49Å; P87-W158 HydrophobicContact CG-CG 4.44Å; P87-W158 HydrophobicContact CG-CH2 4.23Å; P87-W158 HydrophobicContact CG-CZ2 3.63Å
88L67.3Low64.9Low26 Ų26109 Ų10914%0.13652%0.52CS..Hα-helixtrans-73.9-31.6178-129.1154.4000110.4L82 P83 A85 P86 I92 I120L82-L88 HydrophobicContact CD2-CD1 4.01Å; L82-L88 HydrophobicContact CD2-CD2 3.79Å; P83-L88 HydrophobicContact CG-CD1 4.05Å; A85-L88 WeakPolarHBondContact O-CB 3.33Å; A85-L88 PolarHBondContact O-N 2.93Å; A85-L88 VanDerWaalsContact O-N 3.08Å; P86-L88 VanDerWaalsContact C-N 3.28Å; P86-L88 PolarHBondContact O-N 2.87Å; L88-I92 HydrophobicContact CD2-CD1 4.26Å; L88-I92 WeakPolarHBondContact O-CD1 3.21Å; L88-I92 VanDerWaalsContact O-CG1 3.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.31Å; L88-I92 VanDerWaalsContact O-N 3.12Å; L88-I120 HydrophobicContact CD1-CD1 3.81Å; L88-I120 HydrophobicContact CG-CD1 3.72Å
89R66.4Low64.1Low179 Ų179114 Ų11468%0.67553%0.534SS*.Hα-helixtrans-74.7-41.4175.4-165.8163.6-175.7169.7-0.7111.8A85 P86 P87 L91 I92 D93A85-R89 PolarHBondContact O-N 3.4Å; P86-R89 PolarHBondContact O-N 2.95Å; P86-R89 VanDerWaalsContact O-N 3.13Å; P87-R89 VanDerWaalsContact C-N 3.31Å; R89-L91 VanDerWaalsContact C-N 3.29Å; R89-L91 PolarHBondContact O-N 3.42Å; R89-I92 PolarHBondContact O-N 2.7Å; R89-I92 VanDerWaalsContact O-N 3.16Å; R89-D93 WeakPolarHBondContact O-CB 3.38Å; R89-D93 PolarHBondContact O-N 2.84Å
90E68.3Low63.4Low135 Ų135111.9 Ų111.963%0.63154%0.537SS*.Hα-helixtrans-57.8-41.9171.9-74.7173.3178.500111.9P86 D93 Q94P86-E90 PolarHBondContact O-N 3.11Å; E90-D93 PolarHBondContact O-N 2.87Å; E90-Q94 WeakPolarHBondContact O-CB 3.41Å; E90-Q94 PolarHBondContact O-N 3.13Å
91L68.8Low63Low47 Ų47108.8 Ų108.825%0.24653%0.526CS..Hα-helixtrans-62.7-45.3174.2-72.1167.9000111.7P87 R89 Q94 Y95 T118 I120P87-L91 VanDerWaalsContact O-CG 3.28Å; P87-L91 WeakPolarHBondContact O-CG 3.47Å; P87-L91 PolarHBondContact O-N 2.74Å; P87-L91 VanDerWaalsContact O-N 3.13Å; R89-L91 VanDerWaalsContact C-N 3.29Å; R89-L91 PolarHBondContact O-N 3.42Å; L91-Q94 PolarHBondContact O-N 3.18Å; L91-Y95 VanDerWaalsContact O-CD2 3.22Å; L91-Y95 WeakPolarHBondContact O-CD2 3.31Å; L91-Y95 PolarHBondContact O-N 3.3Å; L91-T118 HydrophobicContact CD1-CG2 4.45Å; L91-I120 HydrophobicContact CD1-CD1 4.23Å
92I71.1Confident62.6Low98 Ų98108.6 Ų108.650%0.50354%0.535SS..Hα-helixtrans-62.1-47.1177.7-67.8161.6000110.6L88 R89 Q94 Y95 D96L88-I92 HydrophobicContact CD2-CD1 4.26Å; L88-I92 WeakPolarHBondContact O-CD1 3.21Å; L88-I92 VanDerWaalsContact O-CG1 3.24Å; L88-I92 WeakPolarHBondContact O-CG1 3.43Å; L88-I92 PolarHBondContact O-N 3.31Å; L88-I92 VanDerWaalsContact O-N 3.12Å; R89-I92 PolarHBondContact O-N 2.7Å; R89-I92 VanDerWaalsContact O-N 3.16Å; I92-Q94 VanDerWaalsContact C-N 3.3Å; I92-Q94 PolarHBondContact O-N 2.86Å; I92-Y95 PolarHBondContact O-N 2.92Å; I92-D96 PolarHBondContact O-N 3.48Å
93D68.8Low62.2Low87 Ų87109.2 Ų109.247%0.46555%0.545SS..Hα-helixtrans-65-33.7-177.9-66.7-11.9000111.4R89 E90 Y95R89-D93 WeakPolarHBondContact O-CB 3.38Å; R89-D93 PolarHBondContact O-N 2.84Å; E90-D93 PolarHBondContact O-N 2.87Å; D93-Y95 VanDerWaalsContact C-N 3.29Å; D93-Y95 PolarHBondContact O-N 2.86Å
94Q67.4Low61.8Low124 Ų124114.4 Ų114.458%0.57957%0.57SS**Hα-helixtrans-63.7-32.5175.7-175.9178.63.900113E90 L91 I92E90-Q94 WeakPolarHBondContact O-CB 3.41Å; E90-Q94 PolarHBondContact O-N 3.13Å; L91-Q94 PolarHBondContact O-N 3.18Å; I92-Q94 VanDerWaalsContact C-N 3.3Å; I92-Q94 PolarHBondContact O-N 2.86Å
95Y66.3Low61.4Low134 Ų134104.9 Ų104.953%0.52555%0.549SS..Hα-helixtrans-102.3-7.3-176.4-71.2-76.7000114L91 I92 D93 V97 E117L91-Y95 VanDerWaalsContact O-CD2 3.22Å; L91-Y95 WeakPolarHBondContact O-CD2 3.31Å; L91-Y95 PolarHBondContact O-N 3.3Å; I92-Y95 PolarHBondContact O-N 2.92Å; D93-Y95 VanDerWaalsContact C-N 3.29Å; D93-Y95 PolarHBondContact O-N 2.86Å; Y95-V97 VanDerWaalsContact C-N 3.33Å; Y95-E117 PolarHBondContact OH-OE2 2.92Å; Y95-E117 VanDerWaalsContact OH-OE2 3.13Å
96D61.9Low60.8Low134 Ų134108.9 Ų108.972%0.71758%0.575SS**Hα-helixtrans-77.6-20.7174.5-158.430.7000112.2I92 Q98I92-D96 PolarHBondContact O-N 3.48Å; D96-Q98 PolarHBondContact O-N 3.44Å; D96-Q98 VanDerWaalsContact O-N 3.15Å
97V56Low60.3Low111 Ų111112.7 Ų112.767%0.67359%0.591SS**SBendtrans-79.5102.6173.5-159.40000108.7Y95 R99Y95-V97 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 2.83Å
98Q56.8Low59.7Low169 Ų169118.4 Ų118.479%0.7962%0.615SS**  trans-41.2102177.9-166.4156.9700111.9D96 D100D96-Q98 PolarHBondContact O-N 3.44Å; D96-Q98 VanDerWaalsContact O-N 3.15Å; Q98-D100 PolarHBondContact O-N 3.45Å
99R54.2Low59.1Low178 Ų178125.9 Ų125.967%0.67266%0.655SS**  trans-79.784.6-177.6-163.8173.2-170.91761.9109.3V97 D101V97-R99 PolarHBondContact O-N 2.83Å; R99-D101 HydrophobicContact CG-CB 3.37Å; R99-D101 IonicContact CZ-OD2 3.52Å; R99-D101 IonicContact NE-OD2 3.93Å; R99-D101 PolarHBondContact NE-OD2 2.84Å; R99-D101 IonicContact NH2-OD2 3.48Å; R99-D101 PolarHBondContact NH2-OD2 3.45Å; R99-D101 PolarHBondContact O-N 3.28Å; R99-D101 VanDerWaalsContact O-N 3.12Å
100D51.8Low58.6Low147 Ų147124.1 Ų124.179%0.78666%0.659SS**  trans-76.434.8158.4-79.5-9.8000110.6Q98 S102Q98-D100 PolarHBondContact O-N 3.45Å; D100-S102 PolarHBondContact O-N 3.16Å
101D55.7Low58.3Low100 Ų100121.8 Ų121.854%0.53565%0.651SS.*  trans-89105-179.5-15917.3000107.7R99 S103R99-D101 HydrophobicContact CG-CB 3.37Å; R99-D101 IonicContact CZ-OD2 3.52Å; R99-D101 IonicContact NE-OD2 3.93Å; R99-D101 PolarHBondContact NE-OD2 2.84Å; R99-D101 IonicContact NH2-OD2 3.48Å; R99-D101 PolarHBondContact NH2-OD2 3.45Å; R99-D101 PolarHBondContact O-N 3.28Å; R99-D101 VanDerWaalsContact O-N 3.12Å; D101-S103 PolarHBondContact O-N 2.05Å
102S55.6Low58.2Low115 Ų115125.3 Ų125.380%0.80466%0.662SS**  trans-71.270.3172.820.90000108.5D100 D104D100-S102 PolarHBondContact O-N 3.16Å; S102-D104 PolarHBondContact O-N 3.14Å
103S56.8Low58.4Low91 Ų91123.7 Ų123.764%0.63665%0.652SS**  trans-72.997.3169.9176.30000107.8D101 G105D101-S103 PolarHBondContact O-N 2.05Å; S103-G105 VanDerWaalsContact C-N 3.33Å; S103-G105 PolarHBondContact O-N 2.85Å
104D54.1Low58.5Low163 Ų163122.4 Ų122.487%0.87265%0.654SS**  trans-55.496164.2-170.723.9000108.6S102 S106S102-D104 PolarHBondContact O-N 3.14Å; D104-S106 PolarHBondContact O-N 2.87Å
105G53.3Low58.8Low46 Ų46122 Ų12247%0.47466%0.66SS.*  trans-82112.3-175.500000109.9S103 L107S103-G105 VanDerWaalsContact C-N 3.33Å; S103-G105 PolarHBondContact O-N 2.85Å; G105-L107 PolarHBondContact O-N 2.91Å
106S48.4Very low59.1Low100 Ų100120.7 Ų120.770%0.69967%0.666SS**  trans-64.3104.3161.6650000107.8D104 E108D104-S106 PolarHBondContact O-N 2.87Å; S106-E108 PolarHBondContact O-N 2.7Å; S106-E108 VanDerWaalsContact O-N 3.09Å
107L51.4Low59.8Low156 Ų156121 Ų12182%0.81766%0.663SS**  trans-67.3104.2178.3-60.9170.8000108.6G105G105-L107 PolarHBondContact O-N 2.91Å
108E53.2Low60.9Low146 Ų146120 Ų12068%0.68266%0.657SS**  trans-83.6144.1161.5-66.3-169.7174.400108.4S106 D110 D111S106-E108 PolarHBondContact O-N 2.7Å; S106-E108 VanDerWaalsContact O-N 3.09Å; E108-D110 PolarHBondContact O-N 2.83Å; E108-D111 PolarHBondContact N-OD2 3.03Å; E108-D111 WeakPolarHBondContact O-CB 3.47Å; E108-D111 PolarHBondContact O-N 3Å; E108-D111 VanDerWaalsContact O-N 3.09Å
109D54.3Low62Low183 Ų183116.3 Ų116.398%0.97964%0.642SS**THydrogen-bonded Turntrans-59.8-7-168.5-78-38000115.7
110D57.2Low63.4Low142 Ų142111.8 Ų111.876%0.75963%0.63SS**THydrogen-bonded Turntrans-103.23.1-179.4-130.9-2.1000113.7E108 Y112E108-D110 PolarHBondContact O-N 2.83Å; D110-Y112 PolarHBondContact O-N 3.28Å; D110-Y112 VanDerWaalsContact O-N 3.13Å
111D60.9Low64.9Low86 Ų86106.9 Ų106.946%0.4661%0.606SS.*THydrogen-bonded Turntrans-75.66.4-174.6-83-24.3000115.7E108 H113E108-D111 PolarHBondContact N-OD2 3.03Å; E108-D111 WeakPolarHBondContact O-CB 3.47Å; E108-D111 PolarHBondContact O-N 3Å; E108-D111 VanDerWaalsContact O-N 3.09Å; D111-H113 PolarHBondContact O-N 2.95Å
112Y67.7Low66.1Low122 Ų122106.3 Ų106.348%0.47860%0.601SS.*THydrogen-bonded Turntrans-67-30.7177.1-174.1-98.7000112S63 D110S63-Y112 PolarHBondContact OG-OH 3.38Å; S63-Y112 VanDerWaalsContact OG-OH 3.09Å; D110-Y112 PolarHBondContact O-N 3.28Å; D110-Y112 VanDerWaalsContact O-N 3.13Å
113H75.3Confident67.4Low63 Ų63103.8 Ų103.829%0.29258%0.582SS.*SBendtrans-100.3149.1-178-66.4-66.1000112.5R66 D111 T115R66-H113 PolarHBondContact NE-CE1 2.89Å; R66-H113 VanDerWaalsContact NE-CE1 3.32Å; R66-H113 PolarHBondContact NE-ND1 3.1Å; R66-H113 VanDerWaalsContact NE-ND1 3.16Å; R66-H113 PolarHBondContact NH2-CD2 3.09Å; R66-H113 VanDerWaalsContact NH2-CG 3.35Å; R66-H113 PolarHBondContact NH2-NE2 3.41Å; D111-H113 PolarHBondContact O-N 2.95Å; H113-T115 PolarHBondContact O-N 3.07Å
114A71.2Confident68.4Low61 Ų61102.6 Ų102.650%0.50457%0.571SS.*PPolyproline II helixtrans-65.9130.5177.600000111.5
115T72.4Confident69Low115 Ų115103.7 Ų103.771%0.70657%0.571SS**PPolyproline II helixtrans-79.1130.6173-58.50000109.9H113H113-T115 PolarHBondContact O-N 3.07Å
116T73.1Confident69.3Low106 Ų106103.6 Ų103.665%0.6556%0.563SS**  trans-86114178-55.80000110.1I119T116-I119 HydrophobicContact CG2-CD1 4.23Å; T116-I119 HydrophobicContact CG2-CG1 3.69Å
117E76.3Confident69.5Low142 Ų142106.5 Ų106.566%0.66457%0.57SS**  trans-88.1-47.5178.4-62.3-178.9163.100112.5Y95Y95-E117 PolarHBondContact OH-OE2 2.92Å; Y95-E117 VanDerWaalsContact OH-OE2 3.13Å
118T78.4Confident69.6Low89 Ų89107 Ų10755%0.54657%0.566SS.*  trans-134.5136.2-175.5-61.50000111.2L91 I120L91-T118 HydrophobicContact CD1-CG2 4.45Å; T118-I120 HydrophobicContact CG2-CG1 4.43Å
119I81.4Confident69.2Low91 Ų91107.4 Ų107.447%0.46757%0.572SS.*  trans-113.5121.5178.6-56.3175.2000109.1T116 I147T116-I119 HydrophobicContact CG2-CD1 4.23Å; T116-I119 HydrophobicContact CG2-CG1 3.69Å; I119-I147 HydrophobicContact CD1-CD1 3.52Å; I119-I147 HydrophobicContact CD1-CG1 3.74Å; I119-I147 HydrophobicContact CG2-CD1 4.39Å
120I82.3Confident69Low83 Ų83107.3 Ų107.343%0.42657%0.568SS.*  trans-107.1120.4173.5-57.9178.4000107.8L88 L91 T118 M122L88-I120 HydrophobicContact CD1-CD1 3.81Å; L88-I120 HydrophobicContact CG-CD1 3.72Å; L91-I120 HydrophobicContact CD1-CD1 4.23Å; T118-I120 HydrophobicContact CG2-CG1 4.43Å; I120-M122 HydrophobicContact CG2-CE 3.8Å
121T82.9Confident68.4Low44 Ų44108.4 Ų108.427%0.2757%0.569SS.*  trans-120.3125.9-178.3-550000110.2F141 F143T121-F141 HydrophobicContact CG2-CD1 4.45Å; T121-F143 HydrophobicContact CG2-CE1 4.25Å; T121-F143 WeakPolarHBondContact OG1-CE1 3.26Å
122M82.3Confident67.5Low89 Ų89108.4 Ų108.444%0.43858%0.581SS.*PPolyproline II helixtrans-84.8154.4174.1-56.5-52.8168.800110.6P83 I120 T124P83-M122 HydrophobicContact CG-CE 3.57Å; P83-M122 HydrophobicContact CG-SD 4.28Å; I120-M122 HydrophobicContact CG2-CE 3.8Å; M122-T124 PolarHBondContact O-N 2.92Å
123P83Confident66.6Low61 Ų61109.4 Ų109.440%0.39659%0.594SS.*PPolyproline II helixtrans-53.6131.5171.3-25.235000111.1C139 F141P123-C139 HydrophobicContact CB-CB 3.9Å; P123-C139 HydrophobicContact CG-CB 3.95Å; P123-F141 HydrophobicContact CG-CE1 3.94Å; P123-F141 HydrophobicContact CG-CZ 4.16Å
124T77.3Confident65.5Low67 Ų67110.4 Ų110.441%0.41162%0.622SS.*BIsolated β-bridgetrans-77.5131.5171.1-47.70000108.6M122 S126 F140M122-T124 PolarHBondContact O-N 2.92Å; T124-S126 PolarHBondContact O-N 3.28Å; T124-F140 PolarHBondContact N-O 3.3Å
125E66.5Low64.6Low186 Ų186115.5 Ų115.587%0.86963%0.633SS**PPolyproline II helixtrans-61.2124.6170.1-62.8-168.7172.900108.4
126S60.1Low63.8Low43 Ų43115.8 Ų115.830%0.30164%0.637SS.*PPolyproline II helixtrans-84130.8179.163.20000109.9T124 F128T124-S126 PolarHBondContact O-N 3.28Å; S126-F128 PolarHBondContact O-N 2.95Å
127D53.3Low63.4Low162 Ų162117 Ų11787%0.86663%0.633SS**SBendtrans-58.9-6.5168.7-70.9-33.9000113.7L129D127-L129 PolarHBondContact O-N 3.34Å
128F52.5Low63Low166 Ų166114.1 Ų114.173%0.72863%0.628SS**  trans-71.468.7167.8-60.5-69.4000110.1S126 M130S126-F128 PolarHBondContact O-N 2.95Å; F128-M130 PolarHBondContact O-N 3.46Å; F128-M130 VanDerWaalsContact O-N 3.11Å
129L45.6Very low62.9Low154 Ų154112.8 Ų112.881%0.80662%0.621SS**  trans-47.1117.3158.4-78167.7000108D127D127-L129 PolarHBondContact O-N 3.34Å
130M49.8Very low62.9Low182 Ų182112.8 Ų112.890%0.89762%0.618SS**  trans3693155.9-64.6-171172.100115.7F128F128-M130 PolarHBondContact O-N 3.46Å; F128-M130 VanDerWaalsContact O-N 3.11Å
131Q43.9Very low63Low164 Ų164112.6 Ų112.677%0.76661%0.614SS**  trans-148.1130146.3-141.1171.73600115.2K137Q131-K137 PolarHBondContact O-NZ 2.92Å; Q131-K137 VanDerWaalsContact O-NZ 3.13Å
132A42.3Very low62.9Low87 Ų87118.4 Ų118.472%0.71964%0.636SS**SBendtrans69.6116.4165.400000116.9
133D49.6Very low62.9Low142 Ų142119.8 Ų119.876%0.75964%0.64SS**SBendtrans9421.4154.4-144.634.2000119.5K135D133-K135 PolarHBondContact O-N 3.32Å
134G50.9Low62.6Low85 Ų85120.2 Ų120.288%0.87664%0.644SS**SBendtrans69.43.4163.500000116.8
135K52.9Low62.2Low167 Ų167123 Ų12373%0.72667%0.666SS**  trans-102.5124.2174.3-64.3178.1-174.2174.20110.2D133 K137D133-K135 PolarHBondContact O-N 3.32Å; K135-K137 PolarHBondContact O-N 3.06Å
136P54.8Low62.5Low121 Ų121122.7 Ų122.779%0.78666%0.662SS**  trans-65.5123.7177.825.9-32.1000110C138P136-C138 PolarHBondContact O-N 2.93Å
137K64.6Low63.2Low132 Ų132123.5 Ų123.557%0.57466%0.662SS**  trans-74.861.6172.5-73.4174.4176.41600110.5Q131 K135Q131-K137 PolarHBondContact O-NZ 2.92Å; Q131-K137 VanDerWaalsContact O-NZ 3.13Å; K135-K137 PolarHBondContact O-N 3.06Å
138C67.8Low64.2Low82 Ų82120.5 Ų120.555%0.55464%0.643SS**  trans-87151.9159-164.40000107.7P136P136-C138 PolarHBondContact O-N 2.93Å
139C77.4Confident65.4Low61 Ų61122.5 Ų122.541%0.41265%0.647SS.*  cis-1381305-55.60000108.3P123 F141P123-C139 HydrophobicContact CB-CB 3.9Å; P123-C139 HydrophobicContact CG-CB 3.95Å; C139-F141 HydrophobicContact CB-CE2 3.95Å; C139-F141 HydrophobicContact CB-CZ 4.03Å
140F80.4Confident67Low90 Ų90120.4 Ų120.440%0.39564%0.636SS.*BIsolated β-bridgetrans-102.2130.1175.5-66.7-88.2000109.3T124 L177T124-F140 PolarHBondContact N-O 3.3Å; F140-L177 HydrophobicContact CE1-CD1 4.38Å; F140-L177 HydrophobicContact CZ-CD1 4.12Å
141F84.8Confident68.6Low79 Ų79119.1 Ų119.135%0.34663%0.626SS.*  trans-108.7113.9177.2-60.3-83.4000108.6T121 P123 C139 F143 L157T121-F141 HydrophobicContact CG2-CD1 4.45Å; P123-F141 HydrophobicContact CG-CE1 3.94Å; P123-F141 HydrophobicContact CG-CZ 4.16Å; C139-F141 HydrophobicContact CB-CE2 3.95Å; C139-F141 HydrophobicContact CB-CZ 4.03Å; F141-F143 HydrophobicContact CB-CD2 4.29Å; F141-F143 HydrophobicContact CB-CE2 3.61Å; F141-F143 HydrophobicContact CB-CZ 4.09Å; F141-L157 HydrophobicContact CE2-CD1 4.11Å; F141-L157 HydrophobicContact CZ-CD1 3.71Å
142K81.2Confident70.5Confident166 Ų166115 Ų11572%0.72261%0.612SS**  trans-97.1108174.2-170.9176.5-179.3-179.70109.1
143F81.6Confident72.6Confident119 Ų119118 Ų11852%0.52262%0.621SS.*  trans-90145.6173.2-67.2-78.1000110.3T121 F141 I147T121-F143 HydrophobicContact CG2-CE1 4.25Å; T121-F143 WeakPolarHBondContact OG1-CE1 3.26Å; F141-F143 HydrophobicContact CB-CD2 4.29Å; F141-F143 HydrophobicContact CB-CE2 3.61Å; F141-F143 HydrophobicContact CB-CZ 4.09Å; F143-I147 HydrophobicContact CB-CD1 4.14Å; F143-I147 HydrophobicContact CD1-CD1 3.76Å; F143-I147 HydrophobicContact CG-CD1 4.39Å
144S76.6Confident74.3Confident70 Ų70118.4 Ų118.449%0.4962%0.616SS.*  trans-69.8148.117282.50000110.3K146 I147S144-K146 PolarHBondContact O-N 3.38Å; S144-I147 PolarHBondContact O-N 3.33Å
145S70.6Confident76Confident124 Ų124118.7 Ų118.787%0.86761%0.61SS**THydrogen-bonded Turntrans-63.9-7.9177.252.50000114.1I147S145-I147 VanDerWaalsContact C-N 3.27Å; S145-I147 PolarHBondContact O-N 3Å
146K71.8Confident77.6Confident181 Ų181116 Ų11679%0.78760%0.6SS**THydrogen-bonded Turntrans-75.1-16.5176.9-62.8179.7-180179.30112.8S144 Q148S144-K146 PolarHBondContact O-N 3.38Å; K146-Q148 PolarHBondContact O-N 3.33Å
147I75.4Confident79.1Confident59 Ų59114.7 Ų114.730%0.30359%0.586SS.*  trans-83.5110179.1-56.8173000108.3I119 F143 S144 S145 V152I119-I147 HydrophobicContact CD1-CD1 3.52Å; I119-I147 HydrophobicContact CD1-CG1 3.74Å; I119-I147 HydrophobicContact CG2-CD1 4.39Å; F143-I147 HydrophobicContact CB-CD1 4.14Å; F143-I147 HydrophobicContact CD1-CD1 3.76Å; F143-I147 HydrophobicContact CG-CD1 4.39Å; S144-I147 PolarHBondContact O-N 3.33Å; S145-I147 VanDerWaalsContact C-N 3.27Å; S145-I147 PolarHBondContact O-N 3Å; I147-V152 HydrophobicContact CG2-CG2 4.41Å
148Q74.1Confident80.1Confident99 Ų99114.5 Ų114.546%0.46358%0.581SS.*  trans-86.1130.6175.2-53.7178.7-14.200109.6K146 N150 K151K146-Q148 PolarHBondContact O-N 3.33Å; Q148-N150 WeakPolarHBondContact CB-OD1 3.38Å; Q148-N150 PolarHBondContact O-N 3.42Å; Q148-K151 HydrophobicContact CB-CG 4.42Å; Q148-K151 PolarHBondContact O-N 3.07Å; Q148-K151 VanDerWaalsContact O-N 3.15Å; Q148-K151 VanDerWaalsContact OE1-CE 3.31Å
149Y77.2Confident80.9Confident209 Ų209115.1 Ų115.182%0.8258%0.578SS**G310 helixtrans-61.8-31.4-17663.3-90.6000113.1K151 V152Y149-K151 PolarHBondContact O-N 2.87Å; Y149-V152 PolarHBondContact O-N 3.1Å
150N80.4Confident81.2Confident109 Ų109120.8 Ų120.858%0.58359%0.592SS**G310 helixtrans-70.6-15.6179.863.9-33.5000113.6Q148Q148-N150 WeakPolarHBondContact CB-OD1 3.38Å; Q148-N150 PolarHBondContact O-N 3.42Å
151K83.1Confident81.4Confident156 Ų156121.1 Ų121.168%0.67860%0.598SS**G310 helixtrans-93.6-1.7176.3-64.3-170.7175.6-171.40113Q148 Y149 V153Q148-K151 HydrophobicContact CB-CG 4.42Å; Q148-K151 PolarHBondContact O-N 3.07Å; Q148-K151 VanDerWaalsContact O-N 3.15Å; Q148-K151 VanDerWaalsContact OE1-CE 3.31Å; Y149-K151 PolarHBondContact O-N 2.87Å; K151-V153 PolarHBondContact O-N 3.28Å
152V83.2Confident81.3Confident78 Ų78127.3 Ų127.347%0.47362%0.619SS.*  trans-82.9108.7-177.6-1780000109.8I147 Y149 A155I147-V152 HydrophobicContact CG2-CG2 4.41Å; Y149-V152 PolarHBondContact O-N 3.1Å; V152-A155 HydrophobicContact CG1-CB 4.43Å
153V86.3Confident81.4Confident148 Ų148124.8 Ų124.890%0.89762%0.619SS**  trans-79.3-40.7176.4-1790000111.6K151K151-V153 PolarHBondContact O-N 3.28Å
154K84.8Confident81.7Confident152 Ų152123.2 Ų123.266%0.66162%0.619SS**  trans-151.1140.6-174.5-172.4176.6177.9-171.40110.9Q156K154-Q156 HydrophobicContact CG-CG 4.37Å
155A87.3Confident82.1Confident90 Ų90130.3 Ų130.374%0.74464%0.641SS**  trans-134.5129.3174.400000110.2V152V152-A155 HydrophobicContact CG1-CB 4.43Å
156Q85.3Confident83Confident111 Ų111128.7 Ų128.752%0.51963%0.626SS.*  trans-134.6136-179.2-68.4-175-34.600110.3K154 W158K154-Q156 HydrophobicContact CG-CG 4.37Å; Q156-W158 VanDerWaalsContact OE1-CZ2 3.28Å
157L87.8Confident83.7Confident94 Ų94126.6 Ų126.649%0.49263%0.631SS.*  trans-98.5122.5172.8178.363000109.4F141 I159 I174F141-L157 HydrophobicContact CE2-CD1 4.11Å; F141-L157 HydrophobicContact CZ-CD1 3.71Å; L157-I159 HydrophobicContact CD2-CD1 4.36Å; L157-I159 HydrophobicContact CG-CG1 4.3Å; L157-I174 HydrophobicContact CD2-CD1 4.34Å; L157-I174 HydrophobicContact CD2-CG2 4.07Å
158W84.5Confident84.4Confident128 Ų128127.6 Ų127.649%0.48564%0.64SS.*  trans-102.4127.8179.5-63.986.4000110.3P86 P87 Q156P86-W158 HydrophobicContact CB-CH2 4.29Å; P86-W158 HydrophobicContact CB-CZ3 4.07Å; P86-W158 HydrophobicContact CG-CZ3 3.94Å; P87-W158 HydrophobicContact CB-CZ2 3.99Å; P87-W158 HydrophobicContact CG-CD2 3.97Å; P87-W158 VanDerWaalsContact CG-CE2 3.49Å; P87-W158 HydrophobicContact CG-CG 4.44Å; P87-W158 HydrophobicContact CG-CH2 4.23Å; P87-W158 HydrophobicContact CG-CZ2 3.63Å; Q156-W158 VanDerWaalsContact OE1-CZ2 3.28Å
159I85.1Confident85.1Confident95 Ų95128.5 Ų128.549%0.48765%0.652SS.*  trans-123.5130.2177.8-57.1176.8000108.1L157 L161 V172 I174L157-I159 HydrophobicContact CD2-CD1 4.36Å; L157-I159 HydrophobicContact CG-CG1 4.3Å; I159-L161 HydrophobicContact CG2-CD2 4.47Å; I159-V172 HydrophobicContact CD1-CG1 4.19Å; I159-I174 HydrophobicContact CD1-CD1 3.95Å; I159-I174 HydrophobicContact CD1-CG1 4Å
160Y83.6Confident85.6Confident179 Ų179122.5 Ų122.570%0.70264%0.637SS**PPolyproline II helixtrans-98116.9177-179.8-107.8000110.7R162Y160-R162 HydrophobicContact CD1-CG 4.26Å; Y160-R162 HydrophobicContact CE1-CG 3.96Å
161L84.1Confident85.9Confident98 Ų98126.2 Ų126.251%0.51365%0.649SS.*PPolyproline II helixtrans-88.4121.8172.2-60-179.5000109.1I159 V170 V172I159-L161 HydrophobicContact CG2-CD2 4.47Å; L161-V170 HydrophobicContact CD2-CG1 4.34Å; L161-V172 HydrophobicContact CD1-CG2 4.21Å; L161-V172 HydrophobicContact CD2-CG2 3.95Å
162R83.2Confident86.1Confident209 Ų209122.7 Ų122.779%0.78964%0.64SS**PPolyproline II helixtrans-69144.7177.7-73.5-171.6-69.7-169.9-2.4110.6Y160 V164Y160-R162 HydrophobicContact CD1-CG 4.26Å; Y160-R162 HydrophobicContact CE1-CG 3.96Å; R162-V164 PolarHBondContact O-N 3.45Å
163P83.9Confident86.2Confident112 Ų112126.3 Ų126.373%0.72765%0.652SS**PPolyproline II helixtrans-61.9136.117626.1-33.6000110.5
164V86.4Confident86.2Confident86 Ų86124.7 Ų124.752%0.52164%0.637SS.*PPolyproline II helixtrans-102144.4177.6-70.70000109.9R162 T166R162-V164 PolarHBondContact O-N 3.45Å; V164-T166 VanDerWaalsContact C-N 3.3Å; V164-T166 WeakPolarHBondContact CG2-O 3.3Å; V164-T166 PolarHBondContact O-N 3.43Å
165K86.8Confident86.1Confident219 Ų219123.5 Ų123.595%0.95264%0.637SS**SBendtrans-70.2-28.7-179.5-66.3-176.9179.4-178.60112.7
166T88.9Confident86Confident90 Ų90129.8 Ų129.855%0.55264%0.641SS**SBendtrans-120.5144.8178.951.40000109.6V164 T168V164-T166 VanDerWaalsContact C-N 3.3Å; V164-T166 WeakPolarHBondContact CG2-O 3.3Å; V164-T166 PolarHBondContact O-N 3.43Å; T166-T168 PolarHBondContact O-N 3.23Å
167P86.2Confident85.7Confident138 Ų138131 Ų13190%0.89665%0.651SS**  trans-64112.9178.326.4-32.6000109
168T89.7Confident85.4Confident79 Ų79132.8 Ų132.849%0.48566%0.66SS.*  trans-132.4143.1179.4500000109.6T166T166-T168 PolarHBondContact O-N 3.23Å
169T88.9Confident84.9Confident118 Ų118136.1 Ų136.172%0.72468%0.678SS**  trans-81.2123.3174.3-53.40000109F171T169-F171 HydrophobicContact CG2-CE2 4.03Å; T169-F171 HydrophobicContact CG2-CZ 4Å
170V88.2Confident84.1Confident83 Ų83137.4 Ų137.450%0.50369%0.692SS.*  trans-105.6119.6178.8-178.70000109.2L161 V172L161-V170 HydrophobicContact CD2-CG1 4.34Å; V170-V172 HydrophobicContact CG1-CG2 4.09Å
171F86.8Confident82.6Confident188 Ų188134.5 Ų134.583%0.82569%0.686SS**  trans-91.6118.9172.3-65.4-82000109.7T169T169-F171 HydrophobicContact CG2-CE2 4.03Å; T169-F171 HydrophobicContact CG2-CZ 4Å
172V87.1Confident81.4Confident81 Ų81139.8 Ų139.849%0.49171%0.705SS.*  trans-107.2123.8177.9-1760000108.8I159 L161 V170I159-V172 HydrophobicContact CD1-CG1 4.19Å; L161-V172 HydrophobicContact CD1-CG2 4.21Å; L161-V172 HydrophobicContact CD2-CG2 3.95Å; V170-V172 HydrophobicContact CG1-CG2 4.09Å
173Q85.4Confident80Confident155 Ų155136 Ų13672%0.72470%0.701SS**  trans-119.7127.9175.1-166.3179.317.200109.6L175Q173-L175 HydrophobicContact CG-CD1 4.4Å; Q173-L175 HydrophobicContact CG-CD2 4.27Å; Q173-L175 HydrophobicContact CG-CG 4.1Å
174I86Confident78.7Confident114 Ų114134.7 Ų134.759%0.58571%0.707SS**  trans-107124.2177.5-58.8168.8000107.5L157 I159L157-I174 HydrophobicContact CD2-CD1 4.34Å; L157-I174 HydrophobicContact CD2-CG2 4.07Å; I159-I174 HydrophobicContact CD1-CD1 3.95Å; I159-I174 HydrophobicContact CD1-CG1 4Å
175L83.9Confident77.1Confident126 Ų126135.7 Ų135.766%0.6671%0.714SS**  trans-126.9139.1-176.4-65.6164.1000109.5Q173Q173-L175 HydrophobicContact CG-CD1 4.4Å; Q173-L175 HydrophobicContact CG-CD2 4.27Å; Q173-L175 HydrophobicContact CG-CG 4.1Å
176R83.3Confident75.4Confident222 Ų222136.7 Ų136.784%0.83871%0.711SS**  trans-88.7119.7172-177.2178.9177.6178.5-0.2109.3I178R176-I178 HydrophobicContact CG-CG2 4.37Å; R176-I178 PolarHBondContact O-N 3.15Å
177L79.9Confident73.5Confident137 Ų137139.2 Ų139.272%0.71772%0.72SS**  trans-72.5110.8171.2-64.7174.9000109.4F140F140-L177 HydrophobicContact CE1-CD1 4.38Å; F140-L177 HydrophobicContact CZ-CD1 4.12Å
178I81.1Confident71.8Confident132 Ų132138 Ų13868%0.67771%0.712SS**PPolyproline II helixtrans-99.2146169.557.3174.1000108.9R176R176-I178 HydrophobicContact CG-CG2 4.37Å; R176-I178 PolarHBondContact O-N 3.15Å
179K74.6Confident69.5Low198 Ų198147.8 Ų147.886%0.86175%0.749SS**PPolyproline II helixtrans-59.8131.1171.7-70.7-178.7-179.6178.10107.7M181K179-M181 PolarHBondContact O-N 3.44Å
180P67.4Low68.6Low122 Ų122149.3 Ų149.379%0.79275%0.75SS**PPolyproline II helixtrans-59.1119.5178.522.7-30.9000108.3K182P180-K182 PolarHBondContact O-N 3.45Å
181M52.2Low67.5Low117 Ų117152.7 Ų152.758%0.57676%0.763SS**PPolyproline II helixtrans-66.1126.6176.6-142.2159.385.200107K179 D183 T185K179-M181 PolarHBondContact O-N 3.44Å; M181-D183 WeakPolarHBondContact CE-O 3.32Å; M181-D183 PolarHBondContact O-N 3.11Å; M181-D183 VanDerWaalsContact O-N 3.09Å; M181-T185 WeakPolarHBondContact CE-O 3.49Å
182K60.2Low66.5Low209 Ų209150.8 Ų150.891%0.90976%0.759SS**SBendtrans-66.6-3.5178.4-89.4-173.8173.2-176.40113.7P180P180-K182 PolarHBondContact O-N 3.45Å
183D53.5Low65.3Low131 Ų131154.9 Ų154.970%0.70178%0.775SS**SBendtrans-147.2106.1175.9-98.6-39000112.4M181 T185M181-D183 WeakPolarHBondContact CE-O 3.32Å; M181-D183 PolarHBondContact O-N 3.11Å; M181-D183 VanDerWaalsContact O-N 3.09Å; D183-T185 PolarHBondContact O-N 2.96Å
184G55.5Low64Low84 Ų84154.9 Ų154.987%0.86678%0.778SS**  trans48.4-7.5131.500000123.9
185T53.1Low62.5Low107 Ų107157.6 Ų157.666%0.65679%0.791SS**  trans-106.2110-171.8-45.40000110.9M181 D183M181-T185 WeakPolarHBondContact CE-O 3.49Å; D183-T185 PolarHBondContact O-N 2.96Å
186R51.3Low61Low239 Ų239159.9 Ų159.990%0.90280%0.801SS**PPolyproline II helixtrans-71.3128.6172.7-64.1178.5177176.9-1.3108.9
187I50.3Low59.3Low143 Ų143155.1 Ų155.173%0.73380%0.798SS**PPolyproline II helixtrans-85.8130.7167.8-41.9179.2000107.1
188P50Low57.6Low113 Ų113156.6 Ų156.673%0.73480%0.804SS**PPolyproline II helixtrans-67.5147.8173.530.1-32.5000109.7
189F41.9Very low55.5Low284 Ų284158.8 Ų158.8100%1.24682%0.816SS**  trans-58.50175.4-67.8-87.6000112.4

Retrieved 189 of 189 residues in 344.4 ms (Link to these results)