A0A061IPX1_CRIGR Loading...

Neuromedin-U

AlphaFold DB , UniProt , Accession A0A061IPX1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nmu, Length 172 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
1M39.1Very low39.1Very low248 Ų248146.6 Ų146.6100%1.22287%0.87SS**  0116.60-65.117875.600107.3
2S41.4Very low39Very low121 Ų121144 Ų14485%0.84687%0.865SS**  trans-100142.9-176-53.90000111.3
3R37.5Very low38.7Very low251 Ų251137.6 Ų137.695%0.94785%0.846SS**  trans151.5147.6152.3-91.4174.7160.7147.3-2.6109.3
4A37.6Very low38.3Very low90 Ų90133.5 Ų133.574%0.74485%0.845SS**  cis-171.8144.9-17.900000105.4
5A46.1Very low38.3Very low104 Ų104137.4 Ų137.486%0.8685%0.848SS**  trans-63.2138.2176.300000111.8
6G34.3Very low38.3Very low78 Ų78137.4 Ų137.480%0.80485%0.848SS**  trans-114.290.5169.900000110.6
7S38.9Very low38.7Very low117 Ų117134.5 Ų134.582%0.81884%0.841SS**  trans-73.1128.5164-66.60000109.6
8R40.4Very low39.3Very low246 Ų246132.6 Ų132.693%0.92884%0.84SS**  trans-104.3116.6164-71.6-173.9178.3-162.60.1108.7
9P41.3Very low40.1Very low109 Ų109129.4 Ų129.471%0.70883%0.826SS**  trans-78.9131.3163.74.211.9000109.3
10G38.3Very low41.6Very low77 Ų77125.5 Ų125.579%0.79480%0.803SS**  trans-65.8129.2163.100000109.6
11L35.3Very low42.5Very low172 Ų172124.3 Ų124.390%0.90180%0.796SS**  trans-90.2111.5170.7-116.578.9000108.9
12S38Very low43.4Very low115 Ų115118 Ų11880%0.80477%0.767SS**  trans-75.4163.3168.362.90000111.2
13G34.5Very low44.5Very low61 Ų61117.8 Ų117.863%0.62976%0.755SS**  trans90.486.3147.500000115.1Q15G13-Q15 PolarHBondContact O-N 3.16Å
14G34.1Very low45.8Very low80 Ų80108.1 Ų108.183%0.82573%0.727SS**  trans-58102.7154.100000108.8V16G14-V16 PolarHBondContact O-N 2.95Å
15Q37.6Very low47.2Very low192 Ų192106.9 Ų106.990%0.89771%0.707SS**  trans-64.5100.6172.7-75.617773.500108.1G13 A17G13-Q15 PolarHBondContact O-N 3.16Å; Q15-A17 PolarHBondContact O-N 3.04Å; Q15-A17 VanDerWaalsContact O-N 3.16Å
16V38.6Very low48.4Very low138 Ų138107.8 Ų107.884%0.83670%0.697SS**  trans-66.9109.6158.9-178.90000105G14 A18G14-V16 PolarHBondContact O-N 2.95Å; V16-A18 PolarHBondContact O-N 3.47Å
17A44.6Very low50.2Low88 Ų88109.6 Ų109.673%0.72769%0.687SS**  trans-50.3109.2178.800000109.1Q15 A19Q15-A17 PolarHBondContact O-N 3.04Å; Q15-A17 VanDerWaalsContact O-N 3.16Å; A17-A19 VanDerWaalsContact C-N 3.26Å; A17-A19 PolarHBondContact O-N 3.43Å
18A49.9Very low51.6Low100 Ų100105.5 Ų105.583%0.82666%0.656SS**  trans-65.792.4172.300000107.1V16 S20V16-A18 PolarHBondContact O-N 3.47Å; A18-S20 PolarHBondContact O-N 2.89Å
19A55.3Low53Low71 Ų7199.6 Ų99.659%0.58764%0.642SS**  trans-57.3117171.300000107.1A17A17-A19 VanDerWaalsContact C-N 3.26Å; A17-A19 PolarHBondContact O-N 3.43Å
20S68.8Low54.2Low51 Ų5197.3 Ų97.336%0.35763%0.633SS.*  trans-51.1133.2-177-179.70000109.8A18 L22 L23 S24A18-S20 PolarHBondContact O-N 2.89Å; S20-L22 PolarHBondContact O-N 3.43Å; S20-L23 WeakPolarHBondContact O-CB 3.41Å; S20-L23 PolarHBondContact O-N 3.39Å; S20-S24 PolarHBondContact O-N 2.84Å
21P61.9Low55.3Low102 Ų10295.9 Ų95.966%0.66261%0.61SS**Hα-helixtrans-56.4-23.4-179.321.8-33000112.6L25P21-L25 WeakPolarHBondContact O-CB 3.37Å; P21-L25 PolarHBondContact O-N 3.33Å
22L57.7Low56.4Low114 Ų11491.6 Ų91.660%0.59758%0.584SS**Hα-helixtrans-66.9-39.6172.9-64.4174.4000112.9S20 L25 L26S20-L22 PolarHBondContact O-N 3.43Å; L22-L25 PolarHBondContact O-N 2.96Å; L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CD1 3.4Å; L22-L26 PolarHBondContact O-N 2.84Å
23L64.7Low57.3Low117 Ų11789.3 Ų89.361%0.61357%0.573SS**Hα-helixtrans-65.9-41.5176.2-85.6160.1000111S20 L25 L26 L27S20-L23 WeakPolarHBondContact O-CB 3.41Å; S20-L23 PolarHBondContact O-N 3.39Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.49Å; L23-L26 PolarHBondContact O-N 2.92Å; L23-L27 WeakPolarHBondContact O-CB 3.04Å; L23-L27 PolarHBondContact O-N 3.42Å
24S64.9Low58.2Low49 Ų4992.8 Ų92.834%0.34358%0.576SS.*Hα-helixtrans-63.6-39175-56.90000111.8S20 L27 L28S20-S24 PolarHBondContact O-N 2.84Å; S24-L27 PolarHBondContact O-N 3.12Å; S24-L28 PolarHBondContact O-N 3.42Å
25L66.6Low59.2Low64 Ų6492.6 Ų92.634%0.33557%0.567SS.*Hα-helixtrans-67.7-43.9176-179.159000112.8P21 L22 L23 L27 L28 L29 L78P21-L25 WeakPolarHBondContact O-CB 3.37Å; P21-L25 PolarHBondContact O-N 3.33Å; L22-L25 PolarHBondContact O-N 2.96Å; L23-L25 VanDerWaalsContact C-N 3.33Å; L23-L25 PolarHBondContact O-N 3.49Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 2.98Å; L25-L28 VanDerWaalsContact O-CB 3.32Å; L25-L28 WeakPolarHBondContact O-CB 3.41Å; L25-L28 PolarHBondContact O-N 3.07Å; L25-L29 HydrophobicContact CD1-CD1 4.18Å; L25-L29 PolarHBondContact O-N 3.47Å; L25-L78 HydrophobicContact CD1-CD1 3.55Å; L25-L78 HydrophobicContact CD2-CD1 4.05Å; L25-L78 HydrophobicContact CG-CD1 4.43Å
26L72Confident59.9Low122 Ų12288.7 Ų88.764%0.63956%0.56SS**Hα-helixtrans-59.4-40.8173.9-95.3137.8000111.2L22 L23 L29 A30L22-L26 WeakPolarHBondContact O-CB 3.39Å; L22-L26 WeakPolarHBondContact O-CD1 3.4Å; L22-L26 PolarHBondContact O-N 2.84Å; L23-L26 PolarHBondContact O-N 2.92Å; L26-L29 PolarHBondContact O-N 3.02Å; L26-A30 WeakPolarHBondContact O-CB 3.4Å; L26-A30 PolarHBondContact O-N 3.3Å
27L70.5Confident60.5Low116 Ų11692.7 Ų92.761%0.60756%0.56SS**Hα-helixtrans-66.8-38.6175.8-16864.9000111.8L23 S24 L25 A30 C31L23-L27 WeakPolarHBondContact O-CB 3.04Å; L23-L27 PolarHBondContact O-N 3.42Å; S24-L27 PolarHBondContact O-N 3.12Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 2.98Å; L27-A30 PolarHBondContact O-N 3.36Å; L27-C31 PolarHBondContact O-N 3.04Å; L27-C31 PolarHBondContact O-SG 3.35Å
28L69Low60.8Low31 Ų3192.5 Ų92.516%0.16257%0.566CS.*Hα-helixtrans-58.9-53.1173.4-127.586.3000111S24 L25 A30 C31 F32 V58 F81S24-L28 PolarHBondContact O-N 3.42Å; L25-L28 VanDerWaalsContact O-CB 3.32Å; L25-L28 WeakPolarHBondContact O-CB 3.41Å; L25-L28 PolarHBondContact O-N 3.07Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-A30 PolarHBondContact O-N 3.19Å; L28-C31 WeakPolarHBondContact O-CB 3.48Å; L28-C31 PolarHBondContact O-N 3.14Å; L28-C31 VanDerWaalsContact O-N 3.14Å; L28-F32 HydrophobicContact CD2-CE2 4.08Å; L28-F32 HydrophobicContact CG-CE2 3.99Å; L28-F32 WeakPolarHBondContact O-CD2 3.32Å; L28-F32 PolarHBondContact O-N 3.46Å; L28-V58 HydrophobicContact CD1-CB 4.43Å; L28-V58 HydrophobicContact CD1-CG1 4.24Å; L28-V58 HydrophobicContact CD1-CG2 3.84Å; L28-V58 HydrophobicContact CD2-CG1 4.49Å; L28-F81 HydrophobicContact CD2-CE1 3.75Å; L28-F81 HydrophobicContact CD2-CZ 4.3Å
29L70.1Confident60.3Low122 Ų12291.7 Ų91.764%0.63956%0.56SS**Hα-helixtrans-59.1-41.1-179.8-111.578.1000112.1L25 L26 F32 A33L25-L29 HydrophobicContact CD1-CD1 4.18Å; L25-L29 PolarHBondContact O-N 3.47Å; L26-L29 PolarHBondContact O-N 3.02Å; L29-F32 PolarHBondContact O-N 2.96Å; L29-A33 PolarHBondContact O-N 2.95Å; L29-A33 VanDerWaalsContact O-N 3.12Å
30A66.8Low60Low61 Ų6194.6 Ų94.650%0.50457%0.572SS.*Hα-helixtrans-64.5-38.5177.100000112.3L26 L27 L28 F32 A33 D34L26-A30 WeakPolarHBondContact O-CB 3.4Å; L26-A30 PolarHBondContact O-N 3.3Å; L27-A30 PolarHBondContact O-N 3.36Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-A30 PolarHBondContact O-N 3.19Å; A30-F32 VanDerWaalsContact C-N 3.34Å; A30-F32 PolarHBondContact O-N 3.19Å; A30-A33 PolarHBondContact O-N 3Å; A30-D34 PolarHBondContact O-N 3.37Å
31C60.9Low58.7Low48 Ų4898.1 Ų98.132%0.32459%0.592SS.*Hα-helixtrans-64.8-36.5176.8-69.30000112.4L27 L28 L54L27-C31 PolarHBondContact O-N 3.04Å; L27-C31 PolarHBondContact O-SG 3.35Å; L28-C31 WeakPolarHBondContact O-CB 3.48Å; L28-C31 PolarHBondContact O-N 3.14Å; L28-C31 VanDerWaalsContact O-N 3.14Å; C31-L54 HydrophobicContact CB-CD2 4.46Å
32F59.1Low58.1Low82 Ų8297.7 Ų97.736%0.3659%0.591SS.*Hα-helixtrans-76.2-31.5178.4-70.8-70.5000113.1L28 L29 A30 D34 A35 C36 F81L28-F32 HydrophobicContact CD2-CE2 4.08Å; L28-F32 HydrophobicContact CG-CE2 3.99Å; L28-F32 WeakPolarHBondContact O-CD2 3.32Å; L28-F32 PolarHBondContact O-N 3.46Å; L29-F32 PolarHBondContact O-N 2.96Å; A30-F32 VanDerWaalsContact C-N 3.34Å; A30-F32 PolarHBondContact O-N 3.19Å; F32-D34 VanDerWaalsContact C-N 3.29Å; F32-D34 PolarHBondContact O-N 3.44Å; F32-A35 PolarHBondContact O-N 3.14Å; F32-C36 PolarHBondContact O-SG 3.43Å; F32-F81 HydrophobicContact CE2-CZ 4.03Å; F32-F81 HydrophobicContact CZ-CE2 4.47Å; F32-F81 AromaticContact CZ-CZ 3.9Å; F32-F81 HydrophobicContact CZ-CZ 3.9Å
33A56.8Low57.4Low67 Ų6795.7 Ų95.755%0.55459%0.585SS**Hα-helixtrans-63.6-34.5175.700000112.6L29 A30 A35 C36L29-A33 PolarHBondContact O-N 2.95Å; L29-A33 VanDerWaalsContact O-N 3.12Å; A30-A33 PolarHBondContact O-N 3Å; A33-A35 VanDerWaalsContact C-N 3.32Å; A33-C36 PolarHBondContact O-N 3.24Å
34D53.5Low56.7Low133 Ų13397.8 Ų97.871%0.71159%0.592SS**Hα-helixtrans-70.2-28.7177.2-161.150.5000112.5A30 F32 C36A30-D34 PolarHBondContact O-N 3.37Å; F32-D34 VanDerWaalsContact C-N 3.29Å; F32-D34 PolarHBondContact O-N 3.44Å; D34-C36 VanDerWaalsContact C-N 3.27Å; D34-C36 PolarHBondContact O-N 3.3Å
35A53.6Low55.6Low77 Ų77105 Ų10564%0.63661%0.611SS**THydrogen-bonded Turntrans-74.3-13.1175.100000114F32 A33F32-A35 PolarHBondContact O-N 3.14Å; A33-A35 VanDerWaalsContact C-N 3.32Å
36C52.3Low54.5Low109 Ų109109.3 Ų109.374%0.73663%0.633SS**THydrogen-bonded Turntrans-94.7-1.4-178.4-65.20000114.4F32 A33 D34 G38F32-C36 PolarHBondContact O-SG 3.43Å; A33-C36 PolarHBondContact O-N 3.24Å; D34-C36 VanDerWaalsContact C-N 3.27Å; D34-C36 PolarHBondContact O-N 3.3Å; C36-G38 PolarHBondContact O-N 3.39Å
37R51.7Low53.3Low223 Ų223110 Ų11084%0.84263%0.627SS**SBendtrans-81.199.9171.7-105.4-173.4-175.7-105.62.6110A39R37-A39 PolarHBondContact O-N 3.23Å
38G50.3Low52.7Low83 Ų83107.2 Ų107.286%0.85662%0.618SS**  trans-61.5120-18000000114.1C36C36-G38 PolarHBondContact O-N 3.39Å
39A40.2Very low52.2Low84 Ų84112.6 Ų112.669%0.69464%0.642SS**  trans-169138.3140.900000109.2R37 V41R37-A39 PolarHBondContact O-N 3.23Å; A39-V41 PolarHBondContact O-N 3.41Å
40P49.7Very low52.1Low131 Ų131113.9 Ų113.985%0.85165%0.645SS**  trans-88.6106-175.233.8-28000109.8
41V39.6Very low52.3Low126 Ų126114.2 Ų114.276%0.76464%0.636SS**  trans-126.1111.3158.7-175.80000107.5A39A39-V41 PolarHBondContact O-N 3.41Å
42S50.2Low53Low92 Ų92117 Ų11764%0.64365%0.647SS**  trans-33.5121.3175.71690000113.1
43P43.4Very low53.8Low73 Ų73118.6 Ų118.647%0.47466%0.655SS.*  trans-101.580.2172.335.7-25.5000109.6R45 R47P43-R45 PolarHBondContact O-N 3.41Å; P43-R47 HydrophobicContact CB-CB 3.94Å; P43-R47 HydrophobicContact CB-CG 4.25Å
44Q48.8Very low54.9Low161 Ų161118.9 Ų118.975%0.75265%0.647SS**  trans-89.1103.7177.5-134168.19.700110.3
45R41.8Very low56.2Low200 Ų200117.5 Ų117.576%0.75563%0.632SS**SBendtrans99.9-28.9149.4-159.6177.5-71.6153.3-2.6119.9P43 S48P43-R45 PolarHBondContact O-N 3.41Å; R45-S48 PolarHBondContact O-OG 2.89Å
46I44Very low57.6Low155 Ų155117.2 Ų117.280%0.79562%0.62SS**SBendtrans-94.2-31177.5-58.1175.3000111.7S48I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 2.95Å
47R46.5Very low59.2Low136 Ų136118.8 Ų118.851%0.51361%0.614SS.*Hα-helixtrans-67.3-27.9176.6-160.7-176.3165.2158.5-12.3112.7P43 E49 Q50 E51P43-R47 HydrophobicContact CB-CB 3.94Å; P43-R47 HydrophobicContact CB-CG 4.25Å; R47-E49 PolarHBondContact O-N 2.71Å; R47-Q50 PolarHBondContact O-N 3.42Å; R47-E51 WeakPolarHBondContact CD-OE1 2.88Å; R47-E51 HydrophobicContact CG-CG 4.03Å; R47-E51 IonicContact CZ-OE1 3.47Å; R47-E51 IonicContact NE-OE1 2.69Å; R47-E51 PolarHBondContact NE-OE1 2.69Å; R47-E51 IonicContact NH2-OE1 3.46Å; R47-E51 PolarHBondContact NH2-OE1 3.02Å; R47-E51 VanDerWaalsContact O-CB 3.27Å; R47-E51 WeakPolarHBondContact O-CB 3.21Å; R47-E51 VanDerWaalsContact O-CG 3.23Å; R47-E51 WeakPolarHBondContact O-CG 3.43Å; R47-E51 PolarHBondContact O-N 3.46Å
48S59.4Low60.7Low58 Ų58108.6 Ų108.641%0.40658%0.577SS.*Hα-helixtrans-66.7-32.7-174.149.10000114.4R45 I46 L52R45-S48 PolarHBondContact O-OG 2.89Å; I46-S48 VanDerWaalsContact C-N 3.28Å; I46-S48 PolarHBondContact O-N 2.95Å; S48-L52 WeakPolarHBondContact O-CB 3.37Å; S48-L52 PolarHBondContact O-N 3.46Å
49E57.8Low62.4Low144 Ų144106.7 Ų106.767%0.67355%0.546SS*.Hα-helixtrans-75.1-42.4178.7-72.6-170.2170.700112R47 L52 Q53R47-E49 PolarHBondContact O-N 2.71Å; E49-L52 PolarHBondContact O-N 2.95Å; E49-Q53 WeakPolarHBondContact O-CB 3.23Å; E49-Q53 WeakPolarHBondContact O-CG 3.27Å; E49-Q53 PolarHBondContact O-N 3.41Å
50Q68.1Low64.6Low149 Ų149107.6 Ų107.670%0.69654%0.539SS*.Hα-helixtrans-68.1-37.7175.8-169.2175.5600111.4R47 Q53 L54R47-Q50 PolarHBondContact O-N 3.42Å; Q50-Q53 PolarHBondContact O-N 3.48Å; Q50-L54 WeakPolarHBondContact O-CB 3.35Å; Q50-L54 PolarHBondContact O-N 2.91Å
51E70.8Confident66.3Low68 Ų68103 Ų10332%0.31851%0.512SS..Hα-helixtrans-63.7-44.4171.3-77.8176.4156.700111.4R47 Q53 L54 W55R47-E51 WeakPolarHBondContact CD-OE1 2.88Å; R47-E51 HydrophobicContact CG-CG 4.03Å; R47-E51 IonicContact CZ-OE1 3.47Å; R47-E51 IonicContact NE-OE1 2.69Å; R47-E51 PolarHBondContact NE-OE1 2.69Å; R47-E51 IonicContact NH2-OE1 3.46Å; R47-E51 PolarHBondContact NH2-OE1 3.02Å; R47-E51 VanDerWaalsContact O-CB 3.27Å; R47-E51 WeakPolarHBondContact O-CB 3.21Å; R47-E51 VanDerWaalsContact O-CG 3.23Å; R47-E51 WeakPolarHBondContact O-CG 3.43Å; R47-E51 PolarHBondContact O-N 3.46Å; E51-Q53 VanDerWaalsContact C-N 3.34Å; E51-Q53 PolarHBondContact O-N 3.4Å; E51-L54 WeakPolarHBondContact O-CB 3.46Å; E51-L54 PolarHBondContact O-N 3.3Å; E51-L54 VanDerWaalsContact O-N 3.17Å; E51-W55 PolarHBondContact O-N 3.45Å
52L74.8Confident68.5Low105 Ų10597.2 Ų97.255%0.5548%0.477SS..Hα-helixtrans-61.6-42.8176.5-172.471.3000111.5S48 E49 L54 W55 N56S48-L52 WeakPolarHBondContact O-CB 3.37Å; S48-L52 PolarHBondContact O-N 3.46Å; E49-L52 PolarHBondContact O-N 2.95Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 3.38Å; L52-W55 PolarHBondContact O-N 3.46Å; L52-N56 PolarHBondContact O-N 3.43Å; L52-N56 PolarHBondContact O-ND2 2.85Å
53Q76.8Confident70.1Confident117 Ų11795 Ų9555%0.54746%0.461SS..Hα-helixtrans-62-38.5174.3-75.7-179.6-1.400112.4E49 Q50 E51 K57E49-Q53 WeakPolarHBondContact O-CB 3.23Å; E49-Q53 WeakPolarHBondContact O-CG 3.27Å; E49-Q53 PolarHBondContact O-N 3.41Å; Q50-Q53 PolarHBondContact O-N 3.48Å; E51-Q53 VanDerWaalsContact C-N 3.34Å; E51-Q53 PolarHBondContact O-N 3.4Å; Q53-K57 WeakPolarHBondContact O-CG 3.33Å; Q53-K57 PolarHBondContact O-N 3.15Å; Q53-K57 VanDerWaalsContact O-N 3.15Å
54L80.4Confident72Confident73 Ų7394.9 Ų94.938%0.38246%0.462SS..Hα-helixtrans-65.6-46.7174.8-176.365.5000110.8C31 Q50 E51 L52 N56 K57 V58C31-L54 HydrophobicContact CB-CD2 4.46Å; Q50-L54 WeakPolarHBondContact O-CB 3.35Å; Q50-L54 PolarHBondContact O-N 2.91Å; E51-L54 WeakPolarHBondContact O-CB 3.46Å; E51-L54 PolarHBondContact O-N 3.3Å; E51-L54 VanDerWaalsContact O-N 3.17Å; L52-L54 VanDerWaalsContact C-N 3.31Å; L52-L54 PolarHBondContact O-N 3.38Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 2.94Å; L54-K57 WeakPolarHBondContact O-CB 3.44Å; L54-K57 PolarHBondContact O-N 3.11Å; L54-K57 VanDerWaalsContact O-N 3.11Å; L54-V58 WeakPolarHBondContact O-CG2 3.48Å; L54-V58 PolarHBondContact O-N 3.17Å
55W81.1Confident73.5Confident104 Ų10490.1 Ų90.139%0.39444%0.439SS..Hα-helixtrans-59.4-39.8177-79.1114.3000112.7E51 L52 V58 H59 L89E51-W55 PolarHBondContact O-N 3.45Å; L52-W55 PolarHBondContact O-N 3.46Å; W55-V58 PolarHBondContact O-N 2.88Å; W55-H59 WeakPolarHBondContact O-CB 3.33Å; W55-H59 PolarHBondContact O-N 3.34Å; W55-L89 HydrophobicContact CB-CD1 4.35Å
56N82.1Confident75.3Confident70 Ų7084 Ų8437%0.37442%0.421SS..Hα-helixtrans-62.5-43.8174.3-68.2-22.4000111.3L52 L54 V58 H59 D60L52-N56 PolarHBondContact O-N 3.43Å; L52-N56 PolarHBondContact O-ND2 2.85Å; L54-N56 VanDerWaalsContact C-N 3.31Å; L54-N56 PolarHBondContact O-N 2.94Å; N56-V58 VanDerWaalsContact C-N 3.34Å; N56-V58 PolarHBondContact O-N 2.94Å; N56-H59 WeakPolarHBondContact O-CB 3.45Å; N56-H59 PolarHBondContact O-N 3.3Å; N56-D60 PolarHBondContact O-N 3.03Å
57K85.3Confident77Confident142 Ų14281.1 Ų81.162%0.61742%0.415SS*.Hα-helixtrans-62-40.6175.5-70.6173-173.8176.90112.5Q53 L54 A61Q53-K57 WeakPolarHBondContact O-CG 3.33Å; Q53-K57 PolarHBondContact O-N 3.15Å; Q53-K57 VanDerWaalsContact O-N 3.15Å; L54-K57 WeakPolarHBondContact O-CB 3.44Å; L54-K57 PolarHBondContact O-N 3.11Å; L54-K57 VanDerWaalsContact O-N 3.11Å; K57-A61 WeakPolarHBondContact O-CB 3.39Å; K57-A61 PolarHBondContact O-N 3.23Å
58V84.3Confident78.4Confident10 Ų1077.7 Ų77.76%0.06141%0.411CS..Hα-helixtrans-64.4-44176175.70000110.3L28 L54 W55 N56 A61 C62 V85L28-V58 HydrophobicContact CD1-CB 4.43Å; L28-V58 HydrophobicContact CD1-CG1 4.24Å; L28-V58 HydrophobicContact CD1-CG2 3.84Å; L28-V58 HydrophobicContact CD2-CG1 4.49Å; L54-V58 WeakPolarHBondContact O-CG2 3.48Å; L54-V58 PolarHBondContact O-N 3.17Å; W55-V58 PolarHBondContact O-N 2.88Å; N56-V58 VanDerWaalsContact C-N 3.34Å; N56-V58 PolarHBondContact O-N 2.94Å; V58-A61 PolarHBondContact O-N 2.92Å; V58-C62 WeakPolarHBondContact O-CB 3.49Å; V58-C62 PolarHBondContact O-N 3.46Å; V58-V85 HydrophobicContact CG1-CG1 4.15Å
59H86.4Confident78.3Confident43 Ų4382.7 Ų82.720%0.19943%0.434CS..Hα-helixtrans-62.1-44.5177.6178.2-85000112.3W55 N56 C62 S63 L89W55-H59 WeakPolarHBondContact O-CB 3.33Å; W55-H59 PolarHBondContact O-N 3.34Å; N56-H59 WeakPolarHBondContact O-CB 3.45Å; N56-H59 PolarHBondContact O-N 3.3Å; H59-C62 PolarHBondContact O-N 3.31Å; H59-S63 PolarHBondContact CE1-OG 3.33Å; H59-S63 WeakPolarHBondContact O-CB 3.37Å; H59-S63 PolarHBondContact O-N 2.72Å; H59-S63 PolarHBondContact O-OG 2.82Å; H59-L89 HydrophobicContact CB-CD2 4.11Å
60D85.1Confident78.3Confident102 Ų10280 Ų8055%0.54543%0.431SS..Hα-helixtrans-64.7-42177.9-66.5-18.3000111.4N56 S63 S64N56-D60 PolarHBondContact O-N 3.03Å; D60-S63 PolarHBondContact O-N 3.4Å; D60-S64 PolarHBondContact O-N 3.31Å
61A85.9Confident77.8Confident35 Ų3581 Ų8129%0.28944%0.436SS..Hα-helixtrans-60.8-46.7174.600000111.5K57 V58 S63 S64 F65K57-A61 WeakPolarHBondContact O-CB 3.39Å; K57-A61 PolarHBondContact O-N 3.23Å; V58-A61 PolarHBondContact O-N 2.92Å; A61-S63 PolarHBondContact O-N 2.97Å; A61-S64 PolarHBondContact O-N 3.49Å; A61-S64 PolarHBondContact O-OG 3.15Å; A61-F65 WeakPolarHBondContact O-CB 3.38Å; A61-F65 PolarHBondContact O-N 2.98Å
62C85.5Confident76.9Confident4 Ų480.3 Ų80.33%0.02744%0.437CS..Hα-helixtrans-64.8-37.4176.1-85.30000113.1V58 H59 F65 L66 C82V58-C62 WeakPolarHBondContact O-CB 3.49Å; V58-C62 PolarHBondContact O-N 3.46Å; H59-C62 PolarHBondContact O-N 3.31Å; C62-F65 PolarHBondContact O-N 3.21Å; C62-L66 WeakPolarHBondContact O-CB 3.39Å; C62-L66 VanDerWaalsContact O-CG 3.26Å; C62-L66 WeakPolarHBondContact O-CG 3.48Å; C62-L66 PolarHBondContact O-N 3.39Å; C62-C82 WeakPolarHBondContact CA-SG 3.42Å; C62-C82 HydrophobicContact CB-CB 3.51Å; C62-C82 WeakPolarHBondContact CB-SG 3.26Å; C62-C82 WeakPolarHBondContact SG-CA 3.34Å; C62-C82 WeakPolarHBondContact SG-CB 3.41Å; C62-C82 CovalentContact SG-SG 2.06Å; C62-C82 PolarHBondContact SG-SG 3.27Å
63S84Confident75.9Confident46 Ų4685 Ų8532%0.32246%0.456SS..Hα-helixtrans-63.6-43.4175-59.90000111.4H59 D60 A61 F65 L66 S67H59-S63 PolarHBondContact CE1-OG 3.33Å; H59-S63 WeakPolarHBondContact O-CB 3.37Å; H59-S63 PolarHBondContact O-N 2.72Å; H59-S63 PolarHBondContact O-OG 2.82Å; D60-S63 PolarHBondContact O-N 3.4Å; A61-S63 PolarHBondContact O-N 2.97Å; S63-F65 VanDerWaalsContact C-N 3.33Å; S63-F65 PolarHBondContact O-N 3.26Å; S63-L66 PolarHBondContact O-N 2.92Å; S63-S67 VanDerWaalsContact O-CB 3.26Å; S63-S67 WeakPolarHBondContact O-CB 3.36Å; S63-S67 PolarHBondContact O-N 3.21Å
64S82.5Confident75.1Confident71 Ų7181 Ų8150%0.49745%0.446SS..Hα-helixtrans-64.5-36.9175.775.10000112.8D60 A61 S68D60-S64 PolarHBondContact O-N 3.31Å; A61-S64 PolarHBondContact O-N 3.49Å; A61-S64 PolarHBondContact O-OG 3.15Å; S64-S68 PolarHBondContact O-N 2.9Å; S64-S68 PolarHBondContact O-OG 2.95Å
65F80.6Confident74.3Confident61 Ų6180.8 Ų80.827%0.26845%0.451SS..Hα-helixtrans-70-40.4178.1-178.3-92.8000112.2A61 C62 S63 P72 L78 R79A61-F65 WeakPolarHBondContact O-CB 3.38Å; A61-F65 PolarHBondContact O-N 2.98Å; C62-F65 PolarHBondContact O-N 3.21Å; S63-F65 VanDerWaalsContact C-N 3.33Å; S63-F65 PolarHBondContact O-N 3.26Å; F65-P72 HydrophobicContact CE2-CG 4.46Å; F65-P72 HydrophobicContact CZ-CG 4.23Å; F65-L78 HydrophobicContact CD1-CD2 3.6Å; F65-L78 HydrophobicContact CD2-CD2 3.89Å; F65-L78 HydrophobicContact CE1-CD2 3.31Å; F65-L78 HydrophobicContact CE2-CD2 3.62Å; F65-L78 HydrophobicContact CG-CD2 3.89Å; F65-L78 HydrophobicContact CZ-CD2 3.33Å; F65-R79 HydrophobicContact CE1-CB 4.37Å
66L79Confident74Confident72 Ų7281.6 Ų81.638%0.37747%0.468SS..Hα-helixtrans-74.7-31.9177.9-68.6173.8000112.7C62 S63 S68 R79 C82C62-L66 WeakPolarHBondContact O-CB 3.39Å; C62-L66 VanDerWaalsContact O-CG 3.26Å; C62-L66 WeakPolarHBondContact O-CG 3.48Å; C62-L66 PolarHBondContact O-N 3.39Å; S63-L66 PolarHBondContact O-N 2.92Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-R79 HydrophobicContact CD2-CG 4.07Å; L66-C82 HydrophobicContact CD1-CB 4.1Å; L66-C82 HydrophobicContact CD2-CB 4.3Å; L66-C82 HydrophobicContact CG-CB 4.11Å
67S80.1Confident73.8Confident94 Ų9481.7 Ų81.766%0.65748%0.478SS*.Hα-helixtrans-77-15.4176.4-174.60000113.5S63 D69S63-S67 VanDerWaalsContact O-CB 3.26Å; S63-S67 WeakPolarHBondContact O-CB 3.36Å; S63-S67 PolarHBondContact O-N 3.21Å; S67-D69 PolarHBondContact O-N 3.15Å; S67-D69 VanDerWaalsContact O-N 3.15Å
68S75.4Confident73.6Confident63 Ų6376.5 Ų76.544%0.44146%0.457SS..  trans-7898.9176.5-65.50000109.1S64 L66 S70S64-S68 PolarHBondContact O-N 2.9Å; S64-S68 PolarHBondContact O-OG 2.95Å; L66-S68 VanDerWaalsContact C-N 3.3Å; S68-S70 PolarHBondContact O-N 2.92Å
69D57.6Low73.5Confident163 Ų16381.6 Ų81.687%0.87248%0.475SS*.  trans-63.8-2.9177.8-77.2-35.1000114.2S67 Q71S67-D69 PolarHBondContact O-N 3.15Å; S67-D69 VanDerWaalsContact O-N 3.15Å; D69-Q71 VanDerWaalsContact C-N 3.33Å; D69-Q71 PolarHBondContact O-N 3.35Å
70S58.9Low73.4Confident88 Ų8883.5 Ų83.562%0.61548%0.484SS*.SBendtrans-70.892.7172.450.60000108.8S68 P72S68-S70 PolarHBondContact O-N 2.92Å; S70-P72 WeakPolarHBondContact O-CD 3.5Å; S70-P72 WeakPolarHBondContact O-CG 3.41Å
71Q58Low73.3Confident170 Ų17082 Ų8279%0.79447%0.473SS*.  trans-40.898.4169.7179.7166.1-35.900110.1D69 Q73D69-Q71 VanDerWaalsContact C-N 3.33Å; D69-Q71 PolarHBondContact O-N 3.35Å; Q71-Q73 PolarHBondContact O-N 3.38Å
72P51.8Low73.3Confident54 Ų5480.6 Ų80.635%0.35146%0.461SS..  trans-82.8125.9176.29.79.4000104F65 S70 G74F65-P72 HydrophobicContact CE2-CG 4.46Å; F65-P72 HydrophobicContact CZ-CG 4.23Å; S70-P72 WeakPolarHBondContact O-CD 3.5Å; S70-P72 WeakPolarHBondContact O-CG 3.41Å; P72-G74 PolarHBondContact O-N 3.02Å
73Q53.2Low73.3Confident202 Ų20285.9 Ų85.994%0.94448%0.48SS*.SBendtrans-61.845.1157.4-78.5-99.82100110.4Q71Q71-Q73 PolarHBondContact O-N 3.38Å
74G59.1Low73.4Confident34 Ų3488.6 Ų88.635%0.35149%0.49SS..SBendtrans-144.998.4-160.300000110.1P72P72-G74 PolarHBondContact O-N 3.02Å
75S65.3Low73.5Confident68 Ų6885.6 Ų85.648%0.47647%0.469SS..  trans50.488.1166.162.30000116.4A77 L78 R79S75-A77 PolarHBondContact O-N 2.93Å; S75-A77 VanDerWaalsContact O-N 3.15Å; S75-L78 PolarHBondContact O-N 3.34Å; S75-L78 WeakPolarHBondContact OG-CB 3.05Å; S75-R79 PolarHBondContact O-N 2.06Å
76T73.7Confident73.5Confident122 Ų12284 Ų8475%0.74847%0.465SS*.Hα-helixtrans-44.5-40.4161.148.40000112L78 R79 E80T76-L78 VanDerWaalsContact C-N 3.29Å; T76-L78 PolarHBondContact O-N 3.01Å; T76-R79 PolarHBondContact O-N 2.9Å; T76-E80 WeakPolarHBondContact O-CG 3.05Å; T76-E80 PolarHBondContact O-N 3.34Å
77A78.3Confident73.5Confident71 Ų7185.1 Ų85.159%0.58747%0.468SS*.Hα-helixtrans-55.4-37.7176.200000114.2S75 F81S75-A77 PolarHBondContact O-N 2.93Å; S75-A77 VanDerWaalsContact O-N 3.15Å; A77-F81 WeakPolarHBondContact O-CB 3.42Å; A77-F81 PolarHBondContact O-N 3.3Å
78L80.1Confident73.1Confident34 Ų3484 Ų8418%0.17846%0.46CS..Hα-helixtrans-76.8-35.2-179-169.3144.5000111.7L25 F65 S75 T76 F81 C82L25-L78 HydrophobicContact CD1-CD1 3.55Å; L25-L78 HydrophobicContact CD2-CD1 4.05Å; L25-L78 HydrophobicContact CG-CD1 4.43Å; F65-L78 HydrophobicContact CD1-CD2 3.6Å; F65-L78 HydrophobicContact CD2-CD2 3.89Å; F65-L78 HydrophobicContact CE1-CD2 3.31Å; F65-L78 HydrophobicContact CE2-CD2 3.62Å; F65-L78 HydrophobicContact CG-CD2 3.89Å; F65-L78 HydrophobicContact CZ-CD2 3.33Å; S75-L78 PolarHBondContact O-N 3.34Å; S75-L78 WeakPolarHBondContact OG-CB 3.05Å; T76-L78 VanDerWaalsContact C-N 3.29Å; T76-L78 PolarHBondContact O-N 3.01Å; L78-F81 PolarHBondContact O-N 2.84Å; L78-C82 PolarHBondContact O-N 3.15Å
79R82.6Confident72.5Confident116 Ų11683.5 Ų83.544%0.43845%0.452SS..Hα-helixtrans-63.1-45.3172.2-175.7176.3-66.9-152-6.3111.1F65 L66 S75 T76 C82 R83F65-R79 HydrophobicContact CE1-CB 4.37Å; L66-R79 HydrophobicContact CD2-CG 4.07Å; S75-R79 PolarHBondContact O-N 2.06Å; T76-R79 PolarHBondContact O-N 2.9Å; R79-C82 PolarHBondContact O-N 3.29Å; R79-R83 WeakPolarHBondContact O-CB 3.35Å; R79-R83 PolarHBondContact O-N 2.86Å
80E84.1Confident72.6Confident84 Ų8482.9 Ų82.939%0.39344%0.444SS..Hα-helixtrans-62.9-42.1174.9-66-53.4148.100111.8T76 R83 L84T76-E80 WeakPolarHBondContact O-CG 3.05Å; T76-E80 PolarHBondContact O-N 3.34Å; E80-R83 WeakPolarHBondContact O-CB 3.49Å; E80-R83 PolarHBondContact O-N 2.85Å; E80-R83 IonicContact OE2-CZ 2.66Å; E80-R83 VanDerWaalsContact OE2-CZ 3.22Å; E80-R83 IonicContact OE2-NE 2.96Å; E80-R83 PolarHBondContact OE2-NE 2.75Å; E80-R83 IonicContact OE2-NH2 3.23Å; E80-R83 PolarHBondContact OE2-NH2 3.48Å; E80-L84 WeakPolarHBondContact O-CG 3.28Å; E80-L84 PolarHBondContact O-N 3.33Å
81F84.1Confident72.2Confident70 Ų7086.7 Ų86.731%0.30745%0.449SS..Hα-helixtrans-59-49.6174.6173.5-98.5000112.1L28 F32 A77 L78 R83 L84 V85L28-F81 HydrophobicContact CD2-CE1 3.75Å; L28-F81 HydrophobicContact CD2-CZ 4.3Å; F32-F81 HydrophobicContact CE2-CZ 4.03Å; F32-F81 HydrophobicContact CZ-CE2 4.47Å; F32-F81 AromaticContact CZ-CZ 3.9Å; F32-F81 HydrophobicContact CZ-CZ 3.9Å; A77-F81 WeakPolarHBondContact O-CB 3.42Å; A77-F81 PolarHBondContact O-N 3.3Å; L78-F81 PolarHBondContact O-N 2.84Å; F81-R83 VanDerWaalsContact C-N 3.28Å; F81-R83 PolarHBondContact O-N 3.43Å; F81-L84 WeakPolarHBondContact O-CB 3.26Å; F81-L84 PolarHBondContact O-N 2.91Å; F81-L84 VanDerWaalsContact O-N 3.15Å; F81-V85 HydrophobicContact CD1-CG2 4.18Å; F81-V85 HydrophobicContact CD2-CG2 4.32Å; F81-V85 HydrophobicContact CE1-CG2 3.68Å; F81-V85 HydrophobicContact CE2-CG2 3.85Å; F81-V85 HydrophobicContact CG-CG2 4.48Å; F81-V85 HydrophobicContact CZ-CG2 3.5Å; F81-V85 VanDerWaalsContact CZ-CG2 3.5Å; F81-V85 WeakPolarHBondContact O-CG2 3.16Å; F81-V85 PolarHBondContact O-N 2.93Å
82C86.2Confident71.9Confident5 Ų582 Ų823%0.03443%0.434CS..Hα-helixtrans-63.7-34.7179.5-80.70000112.7C62 L66 L78 R79 V85 T86C62-C82 WeakPolarHBondContact CA-SG 3.42Å; C62-C82 HydrophobicContact CB-CB 3.51Å; C62-C82 WeakPolarHBondContact CB-SG 3.26Å; C62-C82 WeakPolarHBondContact SG-CA 3.34Å; C62-C82 WeakPolarHBondContact SG-CB 3.41Å; C62-C82 CovalentContact SG-SG 2.06Å; C62-C82 PolarHBondContact SG-SG 3.27Å; L66-C82 HydrophobicContact CD1-CB 4.1Å; L66-C82 HydrophobicContact CD2-CB 4.3Å; L66-C82 HydrophobicContact CG-CB 4.11Å; L78-C82 PolarHBondContact O-N 3.15Å; R79-C82 PolarHBondContact O-N 3.29Å; C82-V85 PolarHBondContact O-N 2.66Å; C82-T86 PolarHBondContact O-N 3.11Å; C82-T86 PolarHBondContact O-OG1 2.84Å
83R84.6Confident71.4Confident116 Ų11687 Ų8744%0.43846%0.456SS..Hα-helixtrans-60.7-48171.7-176.6171.170.794.5-7.1111.7R79 E80 F81 V85 T86 E87R79-R83 WeakPolarHBondContact O-CB 3.35Å; R79-R83 PolarHBondContact O-N 2.86Å; E80-R83 WeakPolarHBondContact O-CB 3.49Å; E80-R83 PolarHBondContact O-N 2.85Å; E80-R83 IonicContact OE2-CZ 2.66Å; E80-R83 VanDerWaalsContact OE2-CZ 3.22Å; E80-R83 IonicContact OE2-NE 2.96Å; E80-R83 PolarHBondContact OE2-NE 2.75Å; E80-R83 IonicContact OE2-NH2 3.23Å; E80-R83 PolarHBondContact OE2-NH2 3.48Å; F81-R83 VanDerWaalsContact C-N 3.28Å; F81-R83 PolarHBondContact O-N 3.43Å; R83-V85 PolarHBondContact O-N 2.88Å; R83-T86 PolarHBondContact O-N 2.76Å; R83-E87 VanDerWaalsContact CG-OE1 3.25Å; R83-E87 WeakPolarHBondContact CG-OE1 3.28Å; R83-E87 IonicContact NH1-OE1 3.22Å; R83-E87 PolarHBondContact NH1-OE1 3.01Å; R83-E87 WeakPolarHBondContact O-CB 3.36Å; R83-E87 VanDerWaalsContact O-CG 3.28Å; R83-E87 WeakPolarHBondContact O-CG 3.48Å; R83-E87 PolarHBondContact O-N 3.32Å
84L85.9Confident70.8Confident102 Ų10285.8 Ų85.853%0.53445%0.451SS..Hα-helixtrans-61.5-41.2176.9-69.8171.2000112.6E80 F81 E87 S88E80-L84 WeakPolarHBondContact O-CG 3.28Å; E80-L84 PolarHBondContact O-N 3.33Å; F81-L84 WeakPolarHBondContact O-CB 3.26Å; F81-L84 PolarHBondContact O-N 2.91Å; F81-L84 VanDerWaalsContact O-N 3.15Å; L84-E87 PolarHBondContact O-N 2.96Å; L84-S88 VanDerWaalsContact O-CB 3.28Å; L84-S88 WeakPolarHBondContact O-CB 3.4Å; L84-S88 PolarHBondContact O-N 3.19Å; L84-S88 PolarHBondContact O-OG 2.96Å
85V84.8Confident70.2Confident8 Ų890.6 Ų90.65%0.04846%0.464CS..Hα-helixtrans-63.5-49.3178.1171.40000110.8V58 F81 C82 R83 E87 S88 L89V58-V85 HydrophobicContact CG1-CG1 4.15Å; F81-V85 HydrophobicContact CD1-CG2 4.18Å; F81-V85 HydrophobicContact CD2-CG2 4.32Å; F81-V85 HydrophobicContact CE1-CG2 3.68Å; F81-V85 HydrophobicContact CE2-CG2 3.85Å; F81-V85 HydrophobicContact CG-CG2 4.48Å; F81-V85 HydrophobicContact CZ-CG2 3.5Å; F81-V85 VanDerWaalsContact CZ-CG2 3.5Å; F81-V85 WeakPolarHBondContact O-CG2 3.16Å; F81-V85 PolarHBondContact O-N 2.93Å; C82-V85 PolarHBondContact O-N 2.66Å; R83-V85 PolarHBondContact O-N 2.88Å; V85-E87 VanDerWaalsContact C-N 3.34Å; V85-E87 PolarHBondContact O-N 2.81Å; V85-S88 PolarHBondContact O-N 2.89Å; V85-S88 PolarHBondContact O-OG 3.41Å; V85-L89 PolarHBondContact O-N 3.02Å; V85-L89 VanDerWaalsContact O-N 3.11Å
86T80.3Confident69Low29 Ų2993.2 Ų93.218%0.17847%0.473CS..Hα-helixtrans-62.5-39.3178.2-53.40000111.9C82 R83C82-T86 PolarHBondContact O-N 3.11Å; C82-T86 PolarHBondContact O-OG1 2.84Å; R83-T86 PolarHBondContact O-N 2.76Å
87E80.4Confident67.7Low95 Ų9594.8 Ų94.844%0.44447%0.472SS..Hα-helixtrans-66.4-36.7174.9-74174.7-16300112.5R83 L84 V85R83-E87 VanDerWaalsContact CG-OE1 3.25Å; R83-E87 WeakPolarHBondContact CG-OE1 3.28Å; R83-E87 IonicContact NH1-OE1 3.22Å; R83-E87 PolarHBondContact NH1-OE1 3.01Å; R83-E87 WeakPolarHBondContact O-CB 3.36Å; R83-E87 VanDerWaalsContact O-CG 3.28Å; R83-E87 WeakPolarHBondContact O-CG 3.48Å; R83-E87 PolarHBondContact O-N 3.32Å; L84-E87 PolarHBondContact O-N 2.96Å; V85-E87 VanDerWaalsContact C-N 3.34Å; V85-E87 PolarHBondContact O-N 2.81Å
88S70.7Confident66.5Low70 Ų7099.2 Ų99.249%0.4948%0.478SS..Hα-helixtrans-72-32.6-179.472.60000113.2L84 V85 Q90 K91L84-S88 VanDerWaalsContact O-CB 3.28Å; L84-S88 WeakPolarHBondContact O-CB 3.4Å; L84-S88 PolarHBondContact O-N 3.19Å; L84-S88 PolarHBondContact O-OG 2.96Å; V85-S88 PolarHBondContact O-N 2.89Å; V85-S88 PolarHBondContact O-OG 3.41Å; S88-Q90 VanDerWaalsContact C-N 3.34Å; S88-Q90 PolarHBondContact O-N 3.43Å; S88-K91 PolarHBondContact O-N 3.46Å
89L63.5Low64.9Low52 Ų52104.5 Ų104.527%0.27250%0.501SS..Hα-helixtrans-80-12.4-177.6-148.393000113.7W55 H59 V85 K91 P92W55-L89 HydrophobicContact CB-CD1 4.35Å; H59-L89 HydrophobicContact CB-CD2 4.11Å; V85-L89 PolarHBondContact O-N 3.02Å; V85-L89 VanDerWaalsContact O-N 3.11Å; L89-K91 VanDerWaalsContact C-N 3.32Å; L89-P92 WeakPolarHBondContact O-CD 2.82Å; L89-P92 VanDerWaalsContact O-CG 3.27Å; L89-P92 WeakPolarHBondContact O-CG 3.25Å
90Q59.3Low63.6Low150 Ų150104.4 Ų104.470%0.70151%0.509SS*.THydrogen-bonded Turntrans-79.7-15.8173.3-71.4178.6-5.200112.7S88S88-Q90 VanDerWaalsContact C-N 3.34Å; S88-Q90 PolarHBondContact O-N 3.43Å
91K51Low62.1Low168 Ų168105.5 Ų105.573%0.7352%0.522SS*.SBendtrans-91.6-3.1-179.7-79.9178.6176.8173.60119.3S88 L89 L93S88-K91 PolarHBondContact O-N 3.46Å; L89-K91 VanDerWaalsContact C-N 3.32Å; K91-L93 VanDerWaalsContact C-N 3.35Å; K91-L93 PolarHBondContact O-N 2.99Å
92P50.4Low61.1Low72 Ų72109.5 Ų109.547%0.46854%0.539SS..G310 helixtrans-76.6-19.3-178.513.5-6.4000113.9L89 E94 Q95L89-P92 WeakPolarHBondContact O-CD 2.82Å; L89-P92 VanDerWaalsContact O-CG 3.27Å; L89-P92 WeakPolarHBondContact O-CG 3.25Å; P92-E94 PolarHBondContact O-N 3.45Å; P92-Q95 PolarHBondContact O-N 3.41Å
93L41.2Very low59.8Low158 Ų158119.3 Ų119.383%0.82758%0.576SS**G310 helixtrans-65.8-24.6-169.5-169.658.7000113.3K91K91-L93 VanDerWaalsContact C-N 3.35Å; K91-L93 PolarHBondContact O-N 2.99Å
94E42.3Very low58.8Low178 Ų178121.1 Ų121.183%0.83259%0.587SS**G310 helixtrans-98.2-11.6179.7-66.2-110.1146.300113.6P92P92-E94 PolarHBondContact O-N 3.45Å
95Q44.5Very low58Low135 Ų135121.5 Ų121.563%0.63159%0.589SS**THydrogen-bonded Turntrans-92.7-22.7-173.5-165.3168.1-10.600113.6P92 H99P92-Q95 PolarHBondContact O-N 3.41Å; Q95-H99 PolarHBondContact O-CD2 3.43Å
96N41.6Very low56.8Low122 Ų122126.6 Ų126.665%0.65261%0.611SS**G310 helixtrans-70.4-35.8178.3-170.9-29.5000112.2K98 H99N96-K98 PolarHBondContact O-N 3.16Å; N96-H99 PolarHBondContact O-N 2.76Å
97E46.3Very low55.4Low156 Ų156132.4 Ų132.473%0.72964%0.636SS**G310 helixtrans-68.2-11.2-172.4-148.8-178.1-178.700114.3N100E97-N100 PolarHBondContact O-OD1 3Å
98K52.3Low54.1Low164 Ų164136.7 Ų136.771%0.71365%0.649SS**G310 helixtrans-108.53.6-178.2-155.9176.5178.1177.20114.6N96 N100N96-K98 PolarHBondContact O-N 3.16Å; K98-N100 PolarHBondContact O-N 3.28Å
99H47.6Very low53.1Low144 Ų144138.5 Ų138.567%0.66766%0.662SS**SBendtrans-76.3-9.5173.4-75.6-61.2000113.5Q95 N96Q95-H99 PolarHBondContact O-CD2 3.43Å; N96-H99 PolarHBondContact O-N 2.76Å
100N54.7Low52.3Low114 Ų114145.6 Ų145.661%0.6169%0.69SS**SBendtrans-113-0.6-174.641.3-32.2000113.6E97 K98 K102E97-N100 PolarHBondContact O-OD1 3Å; K98-N100 PolarHBondContact O-N 3.28Å; N100-K102 PolarHBondContact O-N 3.23Å
101T52.3Low51.9Low108 Ų108144.1 Ų144.166%0.66369%0.691SS**  trans-84.524.2172.8-28.80000113.4
102K62.8Low51.8Low154 Ų154144.6 Ų144.667%0.6770%0.697SS**  trans-114.255.9168.7-65.2-173.3-175.8175.90110N100 F104N100-K102 PolarHBondContact O-N 3.23Å; K102-F104 PolarHBondContact O-N 3.44Å
103R59.8Low51.9Low211 Ų211151.2 Ų151.280%0.79672%0.718SS**THydrogen-bonded Turntrans-70.3-15.3179.2-142.9175.2-162.4-1362.7113.5
104F63.3Low52.2Low154 Ų154148.1 Ų148.168%0.67571%0.71SS**THydrogen-bonded Turntrans-151.248.1179-55.5-75.1000114.5K102 F106K102-F104 PolarHBondContact O-N 3.44Å; F104-F106 HydrophobicContact CB-CE2 4.29Å; F104-F106 HydrophobicContact CD1-CE2 4.45Å; F104-F106 HydrophobicContact CD1-CZ 4.28Å
105L69Low52.6Low109 Ų109143.1 Ų143.157%0.57171%0.706SS**  trans-96.391.7161.6-166.167.2000108H107L105-H107 PolarHBondContact O-CD2 3.33Å; L105-H107 PolarHBondContact O-N 3.49Å
106F60.3Low52.9Low116 Ų116144.4 Ų144.451%0.50972%0.717SS.*  trans-63.6105.3172.7-61.9-83.9000108.3F104 Y108F104-F106 HydrophobicContact CB-CE2 4.29Å; F104-F106 HydrophobicContact CD1-CE2 4.45Å; F104-F106 HydrophobicContact CD1-CZ 4.28Å; F106-Y108 HydrophobicContact CB-CD2 4.39Å; F106-Y108 HydrophobicContact CB-CE2 3.83Å; F106-Y108 WeakPolarHBondContact O-CD2 3.27Å; F106-Y108 PolarHBondContact O-N 3.2Å; F106-Y108 VanDerWaalsContact O-N 3.17Å
107H50Low53.1Low151 Ų151141.7 Ų141.770%0.69971%0.708SS**  trans-75100.6171.1-74.6-76.2000108.2L105 S109L105-H107 PolarHBondContact O-CD2 3.33Å; L105-H107 PolarHBondContact O-N 3.49Å; H107-S109 PolarHBondContact O-N 3.18Å
108Y53.7Low53.5Low185 Ų185142.5 Ų142.573%0.72572%0.717SS**  trans-78.6103.1169.3-65.1-83.7000108.6F106 K110F106-Y108 HydrophobicContact CB-CD2 4.39Å; F106-Y108 HydrophobicContact CB-CE2 3.83Å; F106-Y108 WeakPolarHBondContact O-CD2 3.27Å; F106-Y108 PolarHBondContact O-N 3.2Å; F106-Y108 VanDerWaalsContact O-N 3.17Å; Y108-K110 PolarHBondContact O-N 3.46Å; Y108-K110 VanDerWaalsContact O-N 3.15Å
109S49.3Very low53.2Low108 Ų108140.5 Ų140.576%0.75571%0.713SS**  trans-69.5105.1159.1400000107.4H107 T111H107-S109 PolarHBondContact O-N 3.18Å; S109-T111 PolarHBondContact O-N 3.15Å
110K47.6Very low53.3Low200 Ų200139.9 Ų139.987%0.8772%0.719SS**  trans-65.2101.2167.8-176.3178.6178.6-176.60106.4Y108 E112Y108-K110 PolarHBondContact O-N 3.46Å; Y108-K110 VanDerWaalsContact O-N 3.15Å; K110-E112 PolarHBondContact O-N 3.29Å
111T49.5Very low52.9Low119 Ų119138.1 Ų138.173%0.7372%0.716SS**  trans-62.6125.4171.346.30000107.5S109 K113S109-T111 PolarHBondContact O-N 3.15Å; T111-K113 PolarHBondContact O-N 3.17Å
112E50.4Low53.1Low179 Ų179138.4 Ų138.484%0.83672%0.722SS**  trans-56.2139.8170.5-74-154.2140.700108.7K110 S114K110-E112 PolarHBondContact O-N 3.29Å; E112-S114 PolarHBondContact O-N 3.44Å
113K51.3Low52.8Low211 Ų211137.8 Ų137.892%0.91773%0.73SS**  trans-68.876.3179.9-69.1178.2173.3-177.90109T111 G115T111-K113 PolarHBondContact O-N 3.17Å; K113-G115 VanDerWaalsContact C-N 3.34Å; K113-G115 PolarHBondContact O-N 3.21Å; K113-G115 VanDerWaalsContact O-N 3.16Å
114S47Very low53Low93 Ų93131.2 Ų131.265%0.6571%0.714SS**  trans-75.997.5157.358.20000106.5E112 N116E112-S114 PolarHBondContact O-N 3.44Å; S114-N116 PolarHBondContact O-N 3.31Å
115G51.7Low52.9Low73 Ų73127.7 Ų127.775%0.75370%0.699SS**SBendtrans-54.9129.317100000108.6K113K113-G115 VanDerWaalsContact C-N 3.34Å; K113-G115 PolarHBondContact O-N 3.21Å; K113-G115 VanDerWaalsContact O-N 3.16Å
116N50.3Low52.9Low161 Ų161127 Ų12786%0.86170%0.701SS**  trans84.271175.6-156.211.1000116.1S114S114-N116 PolarHBondContact O-N 3.31Å
117S46.4Very low53.5Low66 Ų66126.9 Ų126.946%0.46271%0.705SS.*  trans-146.4120.5143.564.60000110I119S117-I119 PolarHBondContact O-N 3.47Å; S117-I119 WeakPolarHBondContact OG-CD1 3.29Å
118N54Low54.4Low172 Ų172123.9 Ų123.992%0.9269%0.694SS**  trans-70.154.1164.5-91.4-40.3000109.4V120N118-V120 PolarHBondContact O-N 2.94Å
119I45.5Very low55.2Low123 Ų123121.6 Ų121.663%0.63169%0.69SS**  trans-84.7100169.5-66169.7000104.5S117 S121S117-I119 PolarHBondContact O-N 3.47Å; S117-I119 WeakPolarHBondContact OG-CD1 3.29Å; I119-S121 PolarHBondContact O-N 3Å
120V50.3Low56.4Low130 Ų130119.9 Ų119.979%0.78867%0.672SS**  trans-56.592.7160.8175.40000105.6N118 S122N118-V120 PolarHBondContact O-N 2.94Å; V120-S122 VanDerWaalsContact C-N 3.31Å; V120-S122 PolarHBondContact O-N 3.26Å
121S46.5Very low57.9Low78 Ų78114.2 Ų114.255%0.54565%0.654SS.*  trans-64.2100.1172.458.50000105.9I119 V123 V124I119-S121 PolarHBondContact O-N 3Å; S121-V123 PolarHBondContact O-N 3.32Å; S121-V124 VanDerWaalsContact O-CG2 3.29Å; S121-V124 WeakPolarHBondContact O-CG2 3.46Å
122S56.5Low59.3Low114 Ų114112.3 Ų112.380%0.79764%0.644SS**SBendtrans-6919-168.2-177.70000114.6V120V120-S122 VanDerWaalsContact C-N 3.31Å; V120-S122 PolarHBondContact O-N 3.26Å
123V56.9Low60.5Low140 Ų140108.7 Ų108.785%0.84863%0.627SS**  trans-139.570171.2-169.80000108.6S121S121-V123 PolarHBondContact O-N 3.32Å
124V64.5Low61.9Low74 Ų74103.5 Ų103.545%0.44861%0.608SS.*  trans-84.2116.6168.1-169.30000106.8S121 L128S121-V124 VanDerWaalsContact O-CG2 3.29Å; S121-V124 WeakPolarHBondContact O-CG2 3.46Å; V124-L128 HydrophobicContact CG1-CB 3.52Å
125H60.9Low63.4Low80 Ų80104.1 Ų104.137%0.3760%0.601SS.*  trans-50.8138.6174.2-175.6-83.8000109.5L127 L128 Q129H125-L127 WeakPolarHBondContact ND1-CB 3.47Å; H125-L127 PolarHBondContact ND1-N 3.37Å; H125-L127 PolarHBondContact O-N 3.21Å; H125-L128 HydrophobicContact CB-CD1 4.3Å; H125-L128 HydrophobicContact CB-CG 4.32Å; H125-L128 WeakPolarHBondContact O-CA 3.5Å; H125-L128 WeakPolarHBondContact O-CB 3.47Å; H125-L128 PolarHBondContact O-N 3.02Å; H125-Q129 PolarHBondContact O-N 3.14Å
126P69.3Low64.7Low93 Ų93106.5 Ų106.560%0.60459%0.592SS**THydrogen-bonded Turntrans-51.1-32.5-174.1-29.634.3000114.4Q129P126-Q129 WeakPolarHBondContact O-CB 3.42Å
127L72.1Confident66Low114 Ų114106.5 Ų106.560%0.59758%0.58SS**THydrogen-bonded Turntrans-71.4-31175.6-60.9177.8000114.3H125 Q129 L130H125-L127 WeakPolarHBondContact ND1-CB 3.47Å; H125-L127 PolarHBondContact ND1-N 3.37Å; H125-L127 PolarHBondContact O-N 3.21Å; L127-Q129 VanDerWaalsContact C-N 3.3Å; L127-L130 HydrophobicContact CD2-CD1 4.18Å; L127-L130 WeakPolarHBondContact O-CB 3.46Å; L127-L130 PolarHBondContact O-N 3.27Å; L127-L130 VanDerWaalsContact O-N 3.16Å
128L68Low67.5Low88 Ų88111.9 Ų111.946%0.46159%0.59SS.*THydrogen-bonded Turntrans-72.8-26.1177.5-69.3179.2000111.8V124 H125 L130 V131V124-L128 HydrophobicContact CG1-CB 3.52Å; H125-L128 HydrophobicContact CB-CD1 4.3Å; H125-L128 HydrophobicContact CB-CG 4.32Å; H125-L128 WeakPolarHBondContact O-CA 3.5Å; H125-L128 WeakPolarHBondContact O-CB 3.47Å; H125-L128 PolarHBondContact O-N 3.02Å; L128-L130 PolarHBondContact O-N 2.98Å; L128-V131 HydrophobicContact CD2-CG2 4.15Å; L128-V131 WeakPolarHBondContact O-CB 3.5Å; L128-V131 PolarHBondContact O-N 3.45Å
129Q70.6Confident68.4Low138 Ų138107.7 Ų107.765%0.64557%0.566SS**THydrogen-bonded Turntrans-63.5-25.2169.4-172.6178.4-14.100112.4H125 P126 L127 P132H125-Q129 PolarHBondContact O-N 3.14Å; P126-Q129 WeakPolarHBondContact O-CB 3.42Å; L127-Q129 VanDerWaalsContact C-N 3.3Å; Q129-P132 WeakPolarHBondContact O-CD 3.34Å
130L75.8Confident69.8Low72 Ų72108.5 Ų108.538%0.37757%0.565SS.*Hα-helixtrans-82.7-15.5178.8-56.2177.2000112.8L127 L128 Q133 L134L127-L130 HydrophobicContact CD2-CD1 4.18Å; L127-L130 WeakPolarHBondContact O-CB 3.46Å; L127-L130 PolarHBondContact O-N 3.27Å; L127-L130 VanDerWaalsContact O-N 3.16Å; L128-L130 PolarHBondContact O-N 2.98Å; L130-Q133 PolarHBondContact O-N 2.77Å; L130-Q133 VanDerWaalsContact O-N 3.14Å; L130-L134 WeakPolarHBondContact O-CG 3.41Å; L130-L134 PolarHBondContact O-N 2.98Å
131V79.1Confident70.6Confident80 Ų80110.8 Ų110.849%0.48556%0.56SS.*Hα-helixtrans-59.5-45.4-176.4173.40000112.3L128 Q133 L134 H135L128-V131 HydrophobicContact CD2-CG2 4.15Å; L128-V131 WeakPolarHBondContact O-CB 3.5Å; L128-V131 PolarHBondContact O-N 3.45Å; V131-Q133 PolarHBondContact O-N 3.16Å; V131-L134 PolarHBondContact O-N 3.24Å; V131-H135 WeakPolarHBondContact O-CB 3.41Å; V131-H135 PolarHBondContact O-N 3.47Å
132P78.1Confident71.5Confident80 Ų80113 Ų11352%0.51956%0.56SS.*Hα-helixtrans-58.8-43.6173.1-24.634.9000112.9Q129 L134 H135 E136Q129-P132 WeakPolarHBondContact O-CD 3.34Å; P132-L134 PolarHBondContact O-N 2.91Å; P132-H135 WeakPolarHBondContact O-CB 3.46Å; P132-H135 PolarHBondContact O-N 3.38Å; P132-E136 PolarHBondContact O-N 2.86Å
133Q76.3Confident71.8Confident103 Ų103113.9 Ų113.948%0.48155%0.549SS..Hα-helixtrans-66.4-38.1179.9-64.2-174-2400112.7L130 V131 R137L130-Q133 PolarHBondContact O-N 2.77Å; L130-Q133 VanDerWaalsContact O-N 3.14Å; V131-Q133 PolarHBondContact O-N 3.16Å; Q133-R137 WeakPolarHBondContact O-CG 3.48Å; Q133-R137 PolarHBondContact O-N 3.38Å; Q133-R137 VanDerWaalsContact O-N 3.15Å
134L80Confident71.9Confident102 Ų102113 Ų11353%0.53454%0.536SS..Hα-helixtrans-69.9-36.2174.7-67.8179000111.6L130 V131 P132 R137 R138L130-L134 WeakPolarHBondContact O-CG 3.41Å; L130-L134 PolarHBondContact O-N 2.98Å; V131-L134 PolarHBondContact O-N 3.24Å; P132-L134 PolarHBondContact O-N 2.91Å; L134-R137 PolarHBondContact O-N 2.96Å; L134-R138 WeakPolarHBondContact O-CB 3.4Å; L134-R138 PolarHBondContact O-N 2.93Å
135H78.6Confident71.6Confident106 Ų106114.8 Ų114.849%0.49154%0.539SS..Hα-helixtrans-63.4-46.4175.3178.769.1000111.4V131 P132 R137 R138 M139V131-H135 WeakPolarHBondContact O-CB 3.41Å; V131-H135 PolarHBondContact O-N 3.47Å; P132-H135 WeakPolarHBondContact O-CB 3.46Å; P132-H135 PolarHBondContact O-N 3.38Å; H135-R137 PolarHBondContact O-N 3.14Å; H135-R138 WeakPolarHBondContact O-CB 3.36Å; H135-R138 PolarHBondContact O-N 3.43Å; H135-R138 VanDerWaalsContact O-N 3.14Å; H135-M139 WeakPolarHBondContact O-CG 3.36Å; H135-M139 PolarHBondContact O-N 3.15Å
136E79Confident71.4Confident123 Ų123117.3 Ų117.358%0.57556%0.555SS**Hα-helixtrans-58.9-45174.4-73.9-177.7179.600112.3P132 R138 M139 K140P132-E136 PolarHBondContact O-N 2.86Å; E136-R138 VanDerWaalsContact C-N 3.29Å; E136-R138 PolarHBondContact O-N 3.42Å; E136-M139 PolarHBondContact O-N 2.96Å; E136-K140 WeakPolarHBondContact O-CG 3.42Å; E136-K140 PolarHBondContact O-N 3.5Å
137R78.2Confident70.8Confident160 Ų160119.9 Ų119.960%0.60456%0.559SS**Hα-helixtrans-60.5-38.7175.5-74.1180-174.7-1772.4112.1Q133 L134 H135 R141Q133-R137 WeakPolarHBondContact O-CG 3.48Å; Q133-R137 PolarHBondContact O-N 3.38Å; Q133-R137 VanDerWaalsContact O-N 3.15Å; L134-R137 PolarHBondContact O-N 2.96Å; H135-R137 PolarHBondContact O-N 3.14Å; R137-R141 WeakPolarHBondContact O-CG 3.47Å; R137-R141 PolarHBondContact O-N 3.47Å
138R77.9Confident69.8Low180 Ų180116.9 Ų116.968%0.67955%0.547SS*.Hα-helixtrans-65.9-43.9176.1-177-176.8-80.9171.5-5.2111.3L134 H135 E136 R141 F142L134-R138 WeakPolarHBondContact O-CB 3.4Å; L134-R138 PolarHBondContact O-N 2.93Å; H135-R138 WeakPolarHBondContact O-CB 3.36Å; H135-R138 PolarHBondContact O-N 3.43Å; H135-R138 VanDerWaalsContact O-N 3.14Å; E136-R138 VanDerWaalsContact C-N 3.29Å; E136-R138 PolarHBondContact O-N 3.42Å; R138-R141 PolarHBondContact O-N 3.2Å; R138-F142 WeakPolarHBondContact O-CB 3.49Å; R138-F142 PolarHBondContact O-N 2.98Å
139M73.1Confident69Low84 Ų84119.2 Ų119.241%0.41457%0.568SS.*Hα-helixtrans-66.6-36179.3-66.6-60.495.700112.4H135 E136 F142 K143H135-M139 WeakPolarHBondContact O-CG 3.36Å; H135-M139 PolarHBondContact O-N 3.15Å; E136-M139 PolarHBondContact O-N 2.96Å; M139-F142 PolarHBondContact O-N 2.93Å; M139-K143 WeakPolarHBondContact O-CB 3.45Å; M139-K143 PolarHBondContact O-N 3.41Å
140K73.4Confident68.3Low139 Ų139120 Ų12060%0.60457%0.569SS**Hα-helixtrans-62.4-49.1173.3-73.7-174.3-179.3-175.50112.2E136 F142 K143 E144E136-K140 WeakPolarHBondContact O-CG 3.42Å; E136-K140 PolarHBondContact O-N 3.5Å; K140-F142 VanDerWaalsContact C-N 3.33Å; K140-F142 PolarHBondContact O-N 2.95Å; K140-K143 PolarHBondContact O-N 3.2Å; K140-E144 WeakPolarHBondContact O-CG 3.38Å; K140-E144 PolarHBondContact O-N 3.41Å
141R67.4Low67.2Low178 Ų178120.1 Ų120.167%0.67258%0.58SS**Hα-helixtrans-61.2-41.3176.7-69.7-178.9-170.9-169.20.9112.5R137 R138 K143 E144 E145R137-R141 WeakPolarHBondContact O-CG 3.47Å; R137-R141 PolarHBondContact O-N 3.47Å; R138-R141 PolarHBondContact O-N 3.2Å; R141-K143 VanDerWaalsContact C-N 3.33Å; R141-K143 PolarHBondContact O-N 3.38Å; R141-E144 PolarHBondContact O-N 3.15Å; R141-E145 VanDerWaalsContact O-CB 3.3Å; R141-E145 WeakPolarHBondContact O-CB 3.47Å; R141-E145 PolarHBondContact O-N 3.44Å
142F65.1Low66.1Low124 Ų124119.5 Ų119.554%0.54459%0.59SS.*Hα-helixtrans-64.2-39.9177.4-174.3-99.6000111.9R138 M139 K140 E145 L146R138-F142 WeakPolarHBondContact O-CB 3.49Å; R138-F142 PolarHBondContact O-N 2.98Å; M139-F142 PolarHBondContact O-N 2.93Å; K140-F142 VanDerWaalsContact C-N 3.33Å; K140-F142 PolarHBondContact O-N 2.95Å; F142-E145 PolarHBondContact O-N 3.24Å; F142-L146 WeakPolarHBondContact O-CB 3.49Å; F142-L146 PolarHBondContact O-N 3.04Å
143K63.5Low65Low133 Ų133122.6 Ų122.658%0.57860%0.598SS**Hα-helixtrans-66.6-39.3175.5-170.7176.9179.1-178.20112.1M139 K140 R141 Q147M139-K143 WeakPolarHBondContact O-CB 3.45Å; M139-K143 PolarHBondContact O-N 3.41Å; K140-K143 PolarHBondContact O-N 3.2Å; R141-K143 VanDerWaalsContact C-N 3.33Å; R141-K143 PolarHBondContact O-N 3.38Å; K143-Q147 WeakPolarHBondContact O-CB 3.4Å; K143-Q147 WeakPolarHBondContact O-CG 3.3Å; K143-Q147 PolarHBondContact O-N 2.85Å; K143-Q147 VanDerWaalsContact O-N 3.15Å
144E59.7Low64.1Low123 Ų123122 Ų12258%0.57561%0.605SS**Hα-helixtrans-67.6-38.2175-73.9159.9-177.400112.2K140 R141 Q147 S148K140-E144 WeakPolarHBondContact O-CG 3.38Å; K140-E144 PolarHBondContact O-N 3.41Å; R141-E144 PolarHBondContact O-N 3.15Å; E144-Q147 PolarHBondContact O-N 3.33Å; E144-S148 WeakPolarHBondContact O-CB 3.35Å; E144-S148 PolarHBondContact O-N 3.05Å
145E57.4Low63.1Low111 Ų111128.7 Ų128.752%0.51962%0.623SS.*Hα-helixtrans-68.3-34.2176.6-168.5169.3-166.900112.1R141 F142R141-E145 VanDerWaalsContact O-CB 3.3Å; R141-E145 WeakPolarHBondContact O-CB 3.47Å; R141-E145 PolarHBondContact O-N 3.44Å; F142-E145 PolarHBondContact O-N 3.24Å
146L57.3Low62Low132 Ų132126.1 Ų126.169%0.69163%0.626SS**Hα-helixtrans-75.5-27.2175.4-157.381.2000113.3F142F142-L146 WeakPolarHBondContact O-CB 3.49Å; F142-L146 PolarHBondContact O-N 3.04Å
147Q55.5Low61Low148 Ų148129.4 Ų129.469%0.69263%0.634SS**Hα-helixtrans-92.1-9.4178.9-70.8-174.6-11.200113.4K143 E144K143-Q147 WeakPolarHBondContact O-CB 3.4Å; K143-Q147 WeakPolarHBondContact O-CG 3.3Å; K143-Q147 PolarHBondContact O-N 2.85Å; K143-Q147 VanDerWaalsContact O-N 3.15Å; E144-Q147 PolarHBondContact O-N 3.33Å
148S52.1Low60Low51 Ų51131.6 Ų131.636%0.35765%0.648SS.*SBendtrans-77.3131.5175.2169.10000110.8E144 F150 A151E144-S148 WeakPolarHBondContact O-CB 3.35Å; E144-S148 PolarHBondContact O-N 3.05Å; S148-F150 PolarHBondContact O-N 2.9Å; S148-F150 PolarHBondContact OG-N 3.27Å; S148-A151 PolarHBondContact O-N 3.5Å
149P51.3Low59Low137 Ų137130 Ų13089%0.8965%0.652SS**THydrogen-bonded Turntrans-62-2174.2-19.631000114.7
150F55.6Low57.9Low155 Ų155134.9 Ų134.968%0.6867%0.672SS**THydrogen-bonded Turntrans-116.134.2-173.9-126.7-90.6000112.7S148 G152S148-F150 PolarHBondContact O-N 2.9Å; S148-F150 PolarHBondContact OG-N 3.27Å; F150-G152 PolarHBondContact O-N 3.49Å
151A52.8Low57.2Low73 Ų73138.2 Ų138.260%0.60368%0.68SS**THydrogen-bonded Turntrans-70.135.2-177.100000115.2S148S148-A151 PolarHBondContact O-N 3.5Å
152G55.6Low56.7Low67 Ų67133.1 Ų133.169%0.69167%0.67SS**THydrogen-bonded Turntrans-129.92.7-170.200000116.8F150F150-G152 PolarHBondContact O-N 3.49Å
153Q55.4Low56.5Low145 Ų145139.3 Ų139.368%0.67869%0.69SS**  trans-122.565.7177.8-70.9-176.214.900111.2R155Q153-R155 PolarHBondContact O-N 2.79Å
154S57.9Low56.3Low92 Ų92139.9 Ų139.964%0.64370%0.699SS**  trans-65.488.9163.378.40000108.4G156S154-G156 PolarHBondContact O-N 3.16Å
155R57.7Low56.2Low242 Ų242137.4 Ų137.491%0.91371%0.707SS**  trans-76.192.3-172-152.7177.6-178.5-167.31.5109.8Q153Q153-R155 PolarHBondContact O-N 2.79Å
156G57Low56.2Low52 Ų52140.7 Ų140.754%0.53672%0.719SS.*  trans75106.9152.700000116.3S154 F158S154-G156 PolarHBondContact O-N 3.16Å; G156-F158 PolarHBondContact O-N 3.45Å
157Y57.6Low56.2Low192 Ų192144.6 Ų144.675%0.75373%0.725SS**  trans-36.9130.8164.6-44.6-84.6000112.6L159Y157-L159 PolarHBondContact O-N 2.89Å
158F57.3Low56.3Low205 Ų205142.7 Ų142.790%0.89973%0.728SS**  trans-71.861.9165.6-65.7-88.9000109.8G156 F160G156-F158 PolarHBondContact O-N 3.45Å; F158-F160 PolarHBondContact O-N 3.25Å; F158-F160 VanDerWaalsContact O-N 3.16Å
159L56.7Low56.5Low147 Ų147145.2 Ų145.277%0.7775%0.752SS**  trans-77.699.2165.6-68.9171.2000106.4Y157Y157-L159 PolarHBondContact O-N 2.89Å
160F49.7Very low56.5Low186 Ų186141.4 Ų141.482%0.81674%0.737SS**  trans50.195159.6-140.7-96.9000115.3F158 P162F158-F160 PolarHBondContact O-N 3.25Å; F158-F160 VanDerWaalsContact O-N 3.16Å; F160-P162 WeakPolarHBondContact O-CD 3.2Å
161R58.1Low55.9Low210 Ų210143.5 Ų143.579%0.79275%0.747SS**  trans-78.5111.6161.7-97.2-172.8-177.4-170.72.4108.5R163R161-R163 PolarHBondContact O-N 2.82Å
162P57Low55.4Low71 Ų71151.7 Ų151.746%0.46178%0.778SS.*  trans-64.8135.6171.7-14.331000108.4F160 N164 G165F160-P162 WeakPolarHBondContact O-CD 3.2Å; P162-N164 PolarHBondContact O-N 2.81Å; P162-G165 PolarHBondContact O-N 2.95Å
163R61.8Low55.4Low253 Ų253156 Ų15696%0.95578%0.782SS**THydrogen-bonded Turntrans-56-14.9-176.5-86.9-177.2166.7131.3-3.7114.6R161R161-R163 PolarHBondContact O-N 2.82Å
164N59.7Low55.4Low145 Ų145156.5 Ų156.578%0.77579%0.788SS**THydrogen-bonded Turntrans-98.714.2-174.3-62.9-2000114.3P162 K166P162-N164 PolarHBondContact O-N 2.81Å; N164-K166 PolarHBondContact O-N 3.41Å
165G57.7Low55.3Low71 Ų71160.1 Ų160.173%0.73280%0.796SS**  trans67.5-6.8168.400000116.8P162 R167P162-G165 PolarHBondContact O-N 2.95Å; G165-R167 PolarHBondContact O-N 2.84Å
166K57.6Low55.1Low180 Ų180155.3 Ų155.378%0.78379%0.789SS**  trans-82.2113.3175.7-75-178172176.70110N164N164-K166 PolarHBondContact O-N 3.41Å
167R56.2Low55Low215 Ų215161.8 Ų161.881%0.81181%0.805SS**  trans-75.1123.7164.6-67.9-178.7179-114.55.7107.3G165 A169G165-R167 PolarHBondContact O-N 2.84Å; R167-A169 PolarHBondContact O-N 2.93Å
168S57.5Low54.9Low108 Ų108159.7 Ų159.776%0.75581%0.808SS**  trans-68.790.3162.248.30000107.3G170S168-G170 PolarHBondContact O-N 3.26Å
169A57.2Low54.7Low103 Ų103156.5 Ų156.585%0.85180%0.802SS**  trans-71.9105.4159.800000106R167R167-A169 PolarHBondContact O-N 2.93Å
170G50.6Low54.5Low57 Ų57157.2 Ų157.259%0.58880%0.804SS**  trans178.569.3-176.900000110.2S168S168-G170 PolarHBondContact O-N 3.26Å
171F43.6Very low54.9Low199 Ų199154.8 Ų154.887%0.87380%0.803SS**  trans-133.5127.9153.1-69.6-74.6000106.8
172I42.2Very low54.6Low246 Ų246149.8 Ų149.8100%1.26280%0.804SS**  trans-54.30-178.1-64.1160.9000110.9

Retrieved 172 of 172 residues in 87.8 ms (Link to these results)