A0A5K4F1G6_SCHMA Loading...

DUF4477 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1G6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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
1M39.9Very low37.2Very low250 Ų250177 Ų177100%1.23286%0.856SS**  0106.80-82.2164.514400108.8
2K35.5Very low36.9Very low206 Ų206176.2 Ų176.290%0.89685%0.845SS**  trans-89.8132.8171.2-84.2177.6173.5178.50108.5
3R41.1Very low37Very low241 Ų241168.1 Ų168.191%0.90982%0.815SS**  trans-177.580.6149-96.7165.9-156.8-146.67.8106.8K5R3-K5 PolarHBondContact O-N 3.19Å
4Q39.5Very low37.4Very low191 Ų191167.9 Ų167.989%0.89381%0.809SS**  trans-62.8122.7159.4-87.5170.5-46.900106.3D6Q4-D6 PolarHBondContact O-N 3.37Å
5K38.7Very low37.5Very low195 Ų195163.8 Ų163.885%0.84879%0.791SS**  trans-71.4104.2176.3-74.9174.2174.4177.50107.3R3 V7R3-K5 PolarHBondContact O-N 3.19Å; K5-V7 PolarHBondContact O-N 2.98Å; K5-V7 VanDerWaalsContact O-N 3.09Å
6D36.5Very low37.7Very low149 Ų149160.8 Ų160.880%0.79778%0.775SS**  trans-60.5110.4164.4-75-44.9000108.2Q4 Q8Q4-D6 PolarHBondContact O-N 3.37Å; D6-Q8 VanDerWaalsContact C-N 3.3Å; D6-Q8 PolarHBondContact O-N 3.09Å
7V36Very low38.4Very low122 Ų122161.4 Ų161.474%0.73977%0.774SS**  trans-68.292.8170.4175.40000106.3K5 L9K5-V7 PolarHBondContact O-N 2.98Å; K5-V7 VanDerWaalsContact O-N 3.09Å; V7-L9 HydrophobicContact CG1-CD1 4.45Å; V7-L9 HydrophobicContact CG1-CG 4.17Å; V7-L9 PolarHBondContact O-N 3Å
8Q33.1Very low38.9Very low181 Ų181159.7 Ų159.785%0.84676%0.758SS**  trans-68.988.1164.5-69.1-153.65100107.9D6 E10D6-Q8 VanDerWaalsContact C-N 3.3Å; D6-Q8 PolarHBondContact O-N 3.09Å; Q8-E10 VanDerWaalsContact C-N 3.33Å; Q8-E10 PolarHBondContact O-N 2.92Å
9L35.2Very low39.5Very low149 Ų149154.3 Ų154.378%0.7874%0.737SS**  trans-61.5100.5160.6-92151.9000107V7 S11V7-L9 HydrophobicContact CG1-CD1 4.45Å; V7-L9 HydrophobicContact CG1-CG 4.17Å; V7-L9 PolarHBondContact O-N 3Å; L9-S11 PolarHBondContact O-N 2.75Å
10E35Very low40.3Very low157 Ų157150.3 Ų150.373%0.73472%0.72SS**  trans-57.476.8165.2-86.5-171.6117.100109.9Q8 K12Q8-E10 VanDerWaalsContact C-N 3.33Å; Q8-E10 PolarHBondContact O-N 2.92Å; E10-K12 PolarHBondContact O-N 2.99Å; E10-K12 IonicContact OE1-NZ 3.74Å
11S38.9Very low41Very low106 Ų106145.8 Ų145.874%0.74170%0.697SS**  trans-78.871.3161.866.70000108.1L9L9-S11 PolarHBondContact O-N 2.75Å
12K33Very low41.6Very low167 Ų167136 Ų13673%0.72665%0.649SS**  trans-54.6130.7164.6-81.8-179.4-179.31680107.9E10 K14E10-K12 PolarHBondContact O-N 2.99Å; E10-K12 IonicContact OE1-NZ 3.74Å; K12-K14 PolarHBondContact O-N 3.5Å
13P38.7Very low42.8Very low71 Ų71131 Ų13146%0.46163%0.632SS.*  trans-76.8133.3-14429.6-33.9000110I15 Q16P13-I15 HydrophobicContact CB-CB 4.41Å; P13-I15 PolarHBondContact O-N 2.85Å; P13-Q16 PolarHBondContact O-N 3.03Å
14K43Very low43.6Very low166 Ų166124.3 Ų124.372%0.72262%0.615SS**Hα-helixtrans-46.8-22169.4-74.6175176.2176.10112.8K12 R18K12-K14 PolarHBondContact O-N 3.5Å; K14-R18 WeakPolarHBondContact O-CD 3.4Å; K14-R18 WeakPolarHBondContact O-CG 3.3Å; K14-R18 PolarHBondContact O-N 3.07Å
15I38.1Very low44.5Very low106 Ų106115.5 Ų115.554%0.54457%0.574SS.*Hα-helixtrans-63.9-42.4177.9-53.6171.6000112.8P13 R18 T19P13-I15 HydrophobicContact CB-CB 4.41Å; P13-I15 PolarHBondContact O-N 2.85Å; I15-R18 VanDerWaalsContact O-CB 3.3Å; I15-R18 WeakPolarHBondContact O-CB 3.1Å; I15-R18 PolarHBondContact O-N 3.15Å; I15-R18 VanDerWaalsContact O-N 3.11Å; I15-T19 PolarHBondContact O-N 3.13Å
16Q40.5Very low45.5Very low115 Ų115109.2 Ų109.254%0.53755%0.549SS..Hα-helixtrans-66.9-47.1-178-16471.237.800111.1P13 R18 T19 D20P13-Q16 PolarHBondContact O-N 3.03Å; Q16-R18 PolarHBondContact O-N 3.04Å; Q16-R18 VanDerWaalsContact O-N 3.13Å; Q16-T19 PolarHBondContact O-N 3.11Å; Q16-T19 VanDerWaalsContact O-N 3.15Å; Q16-T19 PolarHBondContact O-OG1 2.85Å; Q16-D20 PolarHBondContact O-N 3.17Å; Q16-D20 VanDerWaalsContact O-N 3.07Å
17K50.3Low46.5Very low172 Ų172104.1 Ų104.175%0.74853%0.532SS*.Hα-helixtrans-60.1-25.8173.8-65.3-172.6178.7-174.60112.7F21K17-F21 WeakPolarHBondContact O-CB 3.48Å; K17-F21 PolarHBondContact O-N 3.46Å
18R47.4Very low47.3Very low131 Ų131100.2 Ų100.249%0.49451%0.507SS..Hα-helixtrans-73.8-44.8175.8-74.4165.2-166.4176.7-5.1111.7K14 I15 Q16 D20 F21 L22K14-R18 WeakPolarHBondContact O-CD 3.4Å; K14-R18 WeakPolarHBondContact O-CG 3.3Å; K14-R18 PolarHBondContact O-N 3.07Å; I15-R18 VanDerWaalsContact O-CB 3.3Å; I15-R18 WeakPolarHBondContact O-CB 3.1Å; I15-R18 PolarHBondContact O-N 3.15Å; I15-R18 VanDerWaalsContact O-N 3.11Å; Q16-R18 PolarHBondContact O-N 3.04Å; Q16-R18 VanDerWaalsContact O-N 3.13Å; R18-D20 VanDerWaalsContact C-N 3.34Å; R18-F21 PolarHBondContact O-N 3.49Å; R18-L22 WeakPolarHBondContact O-CB 3.44Å; R18-L22 WeakPolarHBondContact O-CG 3.37Å; R18-L22 PolarHBondContact O-N 2.88Å
19T49.1Very low48.5Very low57 Ų5792.2 Ų92.235%0.3547%0.47SS..Hα-helixtrans-66-40.4179.149.50000111I15 Q16 F21 L22 N23I15-T19 PolarHBondContact O-N 3.13Å; Q16-T19 PolarHBondContact O-N 3.11Å; Q16-T19 VanDerWaalsContact O-N 3.15Å; Q16-T19 PolarHBondContact O-OG1 2.85Å; T19-F21 PolarHBondContact O-N 3.4Å; T19-L22 PolarHBondContact O-N 3.39Å; T19-N23 WeakPolarHBondContact O-CB 3.37Å; T19-N23 PolarHBondContact O-N 2.87Å; T19-N23 PolarHBondContact O-ND2 3.29Å; T19-N23 PolarHBondContact O-OD1 3.37Å
20D55.9Low49.4Very low74 Ų7491.1 Ų91.140%0.39647%0.469SS..Hα-helixtrans-62.9-44.5179.2-55.8-18.3000110.6Q16 R18 N23 D24Q16-D20 PolarHBondContact O-N 3.17Å; Q16-D20 VanDerWaalsContact O-N 3.07Å; R18-D20 VanDerWaalsContact C-N 3.34Å; D20-N23 PolarHBondContact O-N 3.2Å; D20-D24 VanDerWaalsContact O-CG 3.25Å; D20-D24 PolarHBondContact O-N 3.32Å
21F55.1Low50.2Low56 Ų5685.5 Ų85.525%0.24645%0.447CS..Hα-helixtrans-69.3-38178.5-178.5-99.1000113.9K17 R18 T19 N23 D24 L25 Q51 K54K17-F21 WeakPolarHBondContact O-CB 3.48Å; K17-F21 PolarHBondContact O-N 3.46Å; R18-F21 PolarHBondContact O-N 3.49Å; T19-F21 PolarHBondContact O-N 3.4Å; F21-N23 VanDerWaalsContact C-N 3.35Å; F21-D24 PolarHBondContact O-N 2.9Å; F21-L25 HydrophobicContact CD1-CD1 3.84Å; F21-L25 HydrophobicContact CD1-CG 4.21Å; F21-L25 HydrophobicContact CE1-CD1 3.18Å; F21-L25 HydrophobicContact CE1-CD2 4.3Å; F21-L25 HydrophobicContact CE1-CG 3.64Å; F21-L25 HydrophobicContact CE2-CG 4.4Å; F21-L25 HydrophobicContact CZ-CD1 3.71Å; F21-L25 HydrophobicContact CZ-CD2 3.94Å; F21-L25 HydrophobicContact CZ-CG 3.7Å; F21-L25 WeakPolarHBondContact O-CG 3.45Å; F21-L25 PolarHBondContact O-N 2.93Å; F21-Q51 VanDerWaalsContact CZ-OE1 3.23Å; F21-K54 HydrophobicContact CD1-CD 3.99Å; F21-K54 HydrophobicContact CE1-CB 3.91Å; F21-K54 HydrophobicContact CE1-CD 3.35Å; F21-K54 HydrophobicContact CE1-CG 4.24Å; F21-K54 HydrophobicContact CZ-CD 3.72Å
22L53.9Low50.9Low44 Ų4484.6 Ų84.623%0.2344%0.441CS..Hα-helixtrans-66.7-39174.9-74.4177.5000111.1R18 T19 L25 D26 H61R18-L22 WeakPolarHBondContact O-CB 3.44Å; R18-L22 WeakPolarHBondContact O-CG 3.37Å; R18-L22 PolarHBondContact O-N 2.88Å; T19-L22 PolarHBondContact O-N 3.39Å; L22-L25 HydrophobicContact CD2-CD1 4.34Å; L22-L25 CarbonylContact O-C 3.48Å; L22-L25 WeakPolarHBondContact O-CB 3.18Å; L22-L25 PolarHBondContact O-N 3.38Å; L22-D26 PolarHBondContact O-N 2.8Å; L22-H61 PolarHBondContact O-NE2 3.01Å
23N58.8Low52Low101 Ų10184.6 Ų84.654%0.5444%0.441SS..Hα-helixtrans-65.4-38.3173.3-66.2-16.9000111.8T19 D20 F21 D26 G27T19-N23 WeakPolarHBondContact O-CB 3.37Å; T19-N23 PolarHBondContact O-N 2.87Å; T19-N23 PolarHBondContact O-ND2 3.29Å; T19-N23 PolarHBondContact O-OD1 3.37Å; D20-N23 PolarHBondContact O-N 3.2Å; F21-N23 VanDerWaalsContact C-N 3.35Å; N23-D26 PolarHBondContact O-N 3.26Å; N23-G27 PolarHBondContact O-N 2.88Å
24D59.1Low52.9Low101 Ų10184.5 Ų84.554%0.5444%0.436SS..Hα-helixtrans-64-42.1173-73.3-18000110.9D20 F21 G27 L28D20-D24 VanDerWaalsContact O-CG 3.25Å; D20-D24 PolarHBondContact O-N 3.32Å; F21-D24 PolarHBondContact O-N 2.9Å; D24-G27 PolarHBondContact O-N 3.34Å; D24-L28 WeakPolarHBondContact O-CB 3.34Å; D24-L28 WeakPolarHBondContact O-CD1 3.47Å; D24-L28 WeakPolarHBondContact O-CG 3.44Å; D24-L28 PolarHBondContact O-N 3.43Å
25L58.2Low53.7Low5 Ų576.7 Ų76.73%0.02640%0.402CS..Hα-helixtrans-63.1-42.3173.4-78.6177.7000111.5F21 L22 G27 L28 L29 L55F21-L25 HydrophobicContact CD1-CD1 3.84Å; F21-L25 HydrophobicContact CD1-CG 4.21Å; F21-L25 HydrophobicContact CE1-CD1 3.18Å; F21-L25 HydrophobicContact CE1-CD2 4.3Å; F21-L25 HydrophobicContact CE1-CG 3.64Å; F21-L25 HydrophobicContact CE2-CG 4.4Å; F21-L25 HydrophobicContact CZ-CD1 3.71Å; F21-L25 HydrophobicContact CZ-CD2 3.94Å; F21-L25 HydrophobicContact CZ-CG 3.7Å; F21-L25 WeakPolarHBondContact O-CG 3.45Å; F21-L25 PolarHBondContact O-N 2.93Å; L22-L25 HydrophobicContact CD2-CD1 4.34Å; L22-L25 CarbonylContact O-C 3.48Å; L22-L25 WeakPolarHBondContact O-CB 3.18Å; L22-L25 PolarHBondContact O-N 3.38Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 2.73Å; L25-L28 CarbonylContact O-C 3.39Å; L25-L28 PolarHBondContact O-N 3.15Å; L25-L28 VanDerWaalsContact O-N 3.15Å; L25-L29 VanDerWaalsContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CB 3.5Å; L25-L29 WeakPolarHBondContact O-CG 3.28Å; L25-L29 PolarHBondContact O-N 2.9Å; L25-L55 HydrophobicContact CD1-CD2 3.67Å; L25-L55 HydrophobicContact CD1-CG 4.17Å
26D59.5Low54.7Low63 Ų6374.7 Ų74.734%0.33739%0.393SS..Hα-helixtrans-60.1-44.5174-86.4-15.2000110.6L22 N23 L28 L29 V30 H61L22-D26 PolarHBondContact O-N 2.8Å; N23-D26 PolarHBondContact O-N 3.26Å; D26-L28 VanDerWaalsContact C-N 3.28Å; D26-L28 PolarHBondContact O-N 3.47Å; D26-L29 PolarHBondContact O-N 2.81Å; D26-V30 VanDerWaalsContact O-CB 3.31Å; D26-V30 WeakPolarHBondContact O-CB 3.46Å; D26-V30 WeakPolarHBondContact O-CG2 3.44Å; D26-V30 PolarHBondContact O-N 3.14Å; D26-H61 IonicContact OD1-CD2 3.78Å; D26-H61 PolarHBondContact OD1-CD2 3.3Å; D26-H61 IonicContact OD1-NE2 3.08Å; D26-H61 PolarHBondContact OD1-NE2 3.19Å; D26-H61 IonicContact OD2-NE2 3.26Å; D26-H61 PolarHBondContact OD2-NE2 3.34Å
27G56.6Low55.7Low43 Ų4375.8 Ų75.844%0.44340%0.396SS..Hα-helixtrans-60.6-35.9174.100000113.5N23 D24 L25 S31N23-G27 PolarHBondContact O-N 2.88Å; D24-G27 PolarHBondContact O-N 3.34Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 2.73Å; G27-S31 WeakPolarHBondContact O-CB 3.47Å; G27-S31 PolarHBondContact O-N 3.35Å
28L54.1Low56.1Low40 Ų4069.8 Ų69.821%0.20937%0.372CS..Hα-helixtrans-75.4-38.8177.2-74.3166.2000113.1D24 L25 D26 V30 N34 L38D24-L28 WeakPolarHBondContact O-CB 3.34Å; D24-L28 WeakPolarHBondContact O-CD1 3.47Å; D24-L28 WeakPolarHBondContact O-CG 3.44Å; D24-L28 PolarHBondContact O-N 3.43Å; L25-L28 CarbonylContact O-C 3.39Å; L25-L28 PolarHBondContact O-N 3.15Å; L25-L28 VanDerWaalsContact O-N 3.15Å; D26-L28 VanDerWaalsContact C-N 3.28Å; D26-L28 PolarHBondContact O-N 3.47Å; L28-V30 VanDerWaalsContact C-N 3.34Å; L28-N34 HydrophobicContact CD2-CB 3.87Å; L28-L38 HydrophobicContact CD1-CD1 3.82Å; L28-L38 HydrophobicContact CD2-CD1 3.22Å; L28-L38 HydrophobicContact CG-CD1 4.11Å
29L58.2Low56.6Low13 Ų1363.8 Ų63.87%0.06835%0.349CS..Hα-helixtrans-71.9-30.4177.3-69.7173.8000111.4L25 D26 R64 F65L25-L29 VanDerWaalsContact O-CB 3.3Å; L25-L29 WeakPolarHBondContact O-CB 3.5Å; L25-L29 WeakPolarHBondContact O-CG 3.28Å; L25-L29 PolarHBondContact O-N 2.9Å; D26-L29 PolarHBondContact O-N 2.81Å; L29-R64 HydrophobicContact CD1-CB 4.27Å; L29-F65 HydrophobicContact CD1-CB 4.47Å; L29-F65 HydrophobicContact CD2-CB 4.1Å; L29-F65 HydrophobicContact CD2-CD2 3.69Å; L29-F65 HydrophobicContact CD2-CG 4.39Å
30V53.9Low57.2Low126 Ų12662 Ų6276%0.76434%0.339SS*.Hα-helixtrans-76.2-34.9175.4171.60000111.7D26 L28 S32D26-V30 VanDerWaalsContact O-CB 3.31Å; D26-V30 WeakPolarHBondContact O-CB 3.46Å; D26-V30 WeakPolarHBondContact O-CG2 3.44Å; D26-V30 PolarHBondContact O-N 3.14Å; L28-V30 VanDerWaalsContact C-N 3.34Å; V30-S32 PolarHBondContact O-N 3.26Å
31S51.9Low57.5Low39 Ų3965.9 Ų65.927%0.27335%0.354SS..  trans-89.393.5179.6-174.90000111.6G27 K33 N34 F35G27-S31 WeakPolarHBondContact O-CB 3.47Å; G27-S31 PolarHBondContact O-N 3.35Å; S31-K33 PolarHBondContact O-N 3.12Å; S31-K33 VanDerWaalsContact O-N 3.13Å; S31-N34 PolarHBondContact O-N 2.92Å; S31-N34 PolarHBondContact OG-ND2 3.11Å; S31-F35 PolarHBondContact O-N 3.45Å
32S54.2Low58Low86 Ų8668.5 Ų68.560%0.60137%0.365SS*.Hα-helixtrans-53-33.5175.860.40000113.5V30 N34 F35 N36V30-S32 PolarHBondContact O-N 3.26Å; S32-N34 PolarHBondContact O-N 3.12Å; S32-F35 WeakPolarHBondContact O-CB 3.43Å; S32-F35 PolarHBondContact O-N 3.08Å; S32-N36 PolarHBondContact O-N 2.79Å
33K55.1Low58.5Low168 Ų16869.1 Ų69.173%0.7337%0.371SS*.Hα-helixtrans-65.5-37175.5-68.3-174.3178.8-1780112.5S31S31-K33 PolarHBondContact O-N 3.12Å; S31-K33 VanDerWaalsContact O-N 3.13Å
34N58.8Low59.2Low68 Ų6867.6 Ų67.636%0.36437%0.368SS..Hα-helixtrans-78.5-31.6176-69.3-22.7000111.7L28 S31 S32 N36 K37 L38L28-N34 HydrophobicContact CD2-CB 3.87Å; S31-N34 PolarHBondContact O-N 2.92Å; S31-N34 PolarHBondContact OG-ND2 3.11Å; S32-N34 PolarHBondContact O-N 3.12Å; N34-N36 VanDerWaalsContact C-N 3.29Å; N34-N36 PolarHBondContact O-N 2.98Å; N34-K37 PolarHBondContact O-N 2.94Å; N34-K37 VanDerWaalsContact O-N 3.13Å; N34-L38 PolarHBondContact O-N 3.2Å
35F58.4Low60Low2 Ų269.6 Ų69.61%0.00937%0.374CS..Hα-helixtrans-53.7-48.7172.4-178.3-91.9000110.9S31 S32 K37 L38 F39 F65 V68 L69 F72 V86S31-F35 PolarHBondContact O-N 3.45Å; S32-F35 WeakPolarHBondContact O-CB 3.43Å; S32-F35 PolarHBondContact O-N 3.08Å; F35-K37 PolarHBondContact O-N 3.28Å; F35-L38 PolarHBondContact O-N 3.39Å; F35-F39 HydrophobicContact CB-CD2 4.4Å; F35-F39 AromaticContact CD2-CD2 3.23Å; F35-F39 HydrophobicContact CD2-CD2 3.23Å; F35-F39 AromaticContact CD2-CE2 3.51Å; F35-F39 HydrophobicContact CD2-CE2 3.51Å; F35-F39 HydrophobicContact CD2-CG 4.2Å; F35-F39 HydrophobicContact CE2-CB 4.41Å; F35-F39 AromaticContact CE2-CD2 3.43Å; F35-F39 HydrophobicContact CE2-CD2 3.43Å; F35-F39 VanDerWaalsContact CE2-CD2 3.43Å; F35-F39 AromaticContact CE2-CE2 3.82Å; F35-F39 HydrophobicContact CE2-CE2 3.82Å; F35-F39 AromaticContact CE2-CG 3.98Å; F35-F39 HydrophobicContact CE2-CG 3.98Å; F35-F39 AromaticContact CG-CD2 3.83Å; F35-F39 HydrophobicContact CG-CD2 3.83Å; F35-F39 HydrophobicContact CG-CE2 4.4Å; F35-F39 HydrophobicContact CZ-CB 4.35Å; F35-F39 HydrophobicContact CZ-CD2 4.17Å; F35-F39 HydrophobicContact CZ-CG 4.39Å; F35-F39 WeakPolarHBondContact O-CD2 3.3Å; F35-F39 PolarHBondContact O-N 3.47Å; F35-F65 HydrophobicContact CE2-CE2 4.36Å; F35-V68 HydrophobicContact CD1-CG1 4.25Å; F35-V68 HydrophobicContact CD2-CG1 3.54Å; F35-V68 HydrophobicContact CE1-CG1 4.18Å; F35-V68 HydrophobicContact CE2-CB 4.37Å; F35-V68 HydrophobicContact CE2-CG1 3.46Å; F35-V68 VanDerWaalsContact CE2-CG1 3.46Å; F35-V68 HydrophobicContact CG-CG1 3.95Å; F35-V68 HydrophobicContact CZ-CG1 3.79Å; F35-L69 HydrophobicContact CE2-CD2 4.25Å; F35-L69 HydrophobicContact CZ-CD2 3.59Å; F35-L69 HydrophobicContact CZ-CG 4.23Å; F35-F72 HydrophobicContact CD1-CD2 4.18Å; F35-F72 HydrophobicContact CE1-CB 4.39Å; F35-F72 AromaticContact CE1-CD2 3.93Å; F35-F72 HydrophobicContact CE1-CD2 3.93Å; F35-F72 HydrophobicContact CE1-CE2 4.49Å; F35-F72 HydrophobicContact CE1-CG 4.13Å; F35-V86 HydrophobicContact CE1-CG2 4.37Å
36N59.6Low60.8Low65 Ų6577.1 Ų77.135%0.34841%0.409SS..Iπ-helixtrans-58.1-46.9175.6-71.6-2.9000111.6S32 N34 L38 V40 F72S32-N36 PolarHBondContact O-N 2.79Å; N34-N36 VanDerWaalsContact C-N 3.29Å; N34-N36 PolarHBondContact O-N 2.98Å; N36-L38 PolarHBondContact O-N 3.46Å; N36-V40 HydrophobicContact CB-CG2 4.41Å; N36-V40 WeakPolarHBondContact O-CB 3.15Å; N36-V40 WeakPolarHBondContact O-CG2 3.2Å; N36-V40 PolarHBondContact O-N 3.15Å; N36-F72 WeakPolarHBondContact OD1-CE2 3.45Å
37K60.8Low61.7Low138 Ų13876.4 Ų76.460%0.640%0.402SS*.Iπ-helixtrans-65.3-37.3-178.9-70.1-176.9179-178.30113.3N34 F35 Q41N34-K37 PolarHBondContact O-N 2.94Å; N34-K37 VanDerWaalsContact O-N 3.13Å; F35-K37 PolarHBondContact O-N 3.28Å; K37-Q41 WeakPolarHBondContact O-CB 3.35Å; K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-OE1 2.96Å
38L59.2Low62.7Low46 Ų4674.5 Ų74.524%0.24138%0.382CS..Iπ-helixtrans-85.4-45.5-173-109.6145.8000113.4L28 N34 F35 N36 K42 W47L28-L38 HydrophobicContact CD1-CD1 3.82Å; L28-L38 HydrophobicContact CD2-CD1 3.22Å; L28-L38 HydrophobicContact CG-CD1 4.11Å; N34-L38 PolarHBondContact O-N 3.2Å; F35-L38 PolarHBondContact O-N 3.39Å; N36-L38 PolarHBondContact O-N 3.46Å; L38-K42 WeakPolarHBondContact O-CB 3.22Å; L38-K42 PolarHBondContact O-N 3.09Å; L38-W47 HydrophobicContact CD2-CH2 3.44Å; L38-W47 VanDerWaalsContact CD2-CH2 3.44Å; L38-W47 HydrophobicContact CD2-CZ2 3.39Å
39F59.1Low63.9Low4 Ų477.4 Ų77.42%0.01839%0.392CS..Iπ-helixtrans-91.6-25.3-170.5-63.5-77.2000113.5F35 W47 F65 W89F35-F39 HydrophobicContact CB-CD2 4.4Å; F35-F39 AromaticContact CD2-CD2 3.23Å; F35-F39 HydrophobicContact CD2-CD2 3.23Å; F35-F39 AromaticContact CD2-CE2 3.51Å; F35-F39 HydrophobicContact CD2-CE2 3.51Å; F35-F39 HydrophobicContact CD2-CG 4.2Å; F35-F39 HydrophobicContact CE2-CB 4.41Å; F35-F39 AromaticContact CE2-CD2 3.43Å; F35-F39 HydrophobicContact CE2-CD2 3.43Å; F35-F39 VanDerWaalsContact CE2-CD2 3.43Å; F35-F39 AromaticContact CE2-CE2 3.82Å; F35-F39 HydrophobicContact CE2-CE2 3.82Å; F35-F39 AromaticContact CE2-CG 3.98Å; F35-F39 HydrophobicContact CE2-CG 3.98Å; F35-F39 AromaticContact CG-CD2 3.83Å; F35-F39 HydrophobicContact CG-CD2 3.83Å; F35-F39 HydrophobicContact CG-CE2 4.4Å; F35-F39 HydrophobicContact CZ-CB 4.35Å; F35-F39 HydrophobicContact CZ-CD2 4.17Å; F35-F39 HydrophobicContact CZ-CG 4.39Å; F35-F39 WeakPolarHBondContact O-CD2 3.3Å; F35-F39 PolarHBondContact O-N 3.47Å; F39-W47 HydrophobicContact CD1-CH2 4.15Å; F39-W47 HydrophobicContact CD1-CZ3 4.14Å; F39-W47 HydrophobicContact CE1-CH2 4.13Å; F39-W47 HydrophobicContact CE1-CZ3 4.45Å; F39-F65 HydrophobicContact CD1-CE2 4.03Å; F39-F65 HydrophobicContact CD1-CZ 4.43Å; F39-F65 AromaticContact CE1-CE2 3.6Å; F39-F65 HydrophobicContact CE1-CE2 3.6Å; F39-F65 HydrophobicContact CE1-CZ 4.14Å; F39-F65 HydrophobicContact CE2-CE2 4.49Å; F39-F65 HydrophobicContact CZ-CD2 4.43Å; F39-F65 AromaticContact CZ-CE2 3.85Å; F39-F65 HydrophobicContact CZ-CE2 3.85Å; F39-W89 HydrophobicContact CD1-CD2 4.14Å; F39-W89 AromaticContact CD1-CE2 3.78Å; F39-W89 HydrophobicContact CD1-CE3 4.29Å; F39-W89 AromaticContact CD1-CH2 3.77Å; F39-W89 HydrophobicContact CD1-CH2 3.77Å; F39-W89 AromaticContact CD1-CZ2 3.66Å; F39-W89 HydrophobicContact CD1-CZ2 3.66Å; F39-W89 HydrophobicContact CD1-CZ3 4.08Å; F39-W89 AromaticContact CE1-CH2 3.97Å; F39-W89 HydrophobicContact CE1-CH2 3.97Å; F39-W89 HydrophobicContact CE1-CZ2 4.33Å; F39-W89 HydrophobicContact CE1-CZ3 4.08Å; F39-W89 PolarHBondContact O-NE1 3Å
40V59.9Low64.8Low21 Ų2179.7 Ų79.713%0.12741%0.407CS..Iπ-helixtrans-79.6-41176.2-178.70000110.3N36 V82 Q85N36-V40 HydrophobicContact CB-CG2 4.41Å; N36-V40 WeakPolarHBondContact O-CB 3.15Å; N36-V40 WeakPolarHBondContact O-CG2 3.2Å; N36-V40 PolarHBondContact O-N 3.15Å; V40-V82 HydrophobicContact CB-CG1 4.26Å; V40-V82 HydrophobicContact CG1-CB 4.35Å; V40-V82 HydrophobicContact CG1-CG1 3.78Å; V40-V82 HydrophobicContact CG1-CG2 3.96Å; V40-V82 HydrophobicContact CG2-CG1 3.44Å; V40-V82 VanDerWaalsContact CG2-CG1 3.44Å; V40-Q85 VanDerWaalsContact CA-OE1 3.31Å; V40-Q85 PolarHBondContact O-NE2 3.45Å; V40-Q85 VanDerWaalsContact O-NE2 3.09Å; V40-Q85 PolarHBondContact O-OE1 2.94Å
41Q63Low66Low154 Ų15474.6 Ų74.672%0.7238%0.375SS*.THydrogen-bonded Turntrans-82.9-26.3-175.6-61.5-173.9-18.900113.8K37K37-Q41 WeakPolarHBondContact O-CB 3.35Å; K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-OE1 2.96Å
42K66Low67.2Low111 Ų11172.8 Ų72.848%0.48336%0.362SS..  trans-112.587.3-176.7-62.7-171.3176.7-174.40110.9L38 W47L38-K42 WeakPolarHBondContact O-CB 3.22Å; L38-K42 PolarHBondContact O-N 3.09Å; K42-W47 HydrophobicContact CB-CD2 4.02Å; K42-W47 HydrophobicContact CB-CE3 3.54Å; K42-W47 HydrophobicContact CB-CH2 4.35Å; K42-W47 HydrophobicContact CB-CZ3 3.67Å; K42-W47 HydrophobicContact CD-CD2 4.41Å; K42-W47 HydrophobicContact CD-CZ2 4.43Å; K42-W47 WeakPolarHBondContact O-CZ3 3.45Å
43T65Low68.4Low58 Ų5872.9 Ų72.936%0.35635%0.353SS..  trans-103.114.4177.653.10000113.4Q45 Q85T43-Q45 PolarHBondContact O-N 3.22Å; T43-Q85 HydrophobicContact CG2-CB 3.84Å; T43-Q85 HydrophobicContact CG2-CG 3.81Å
44S73.3Confident69.5Low68 Ų6868.2 Ų68.248%0.47633%0.333SS..  trans-65.1129.8177.363.70000110.9E46 W47 I48S44-E46 VanDerWaalsContact C-N 3.25Å; S44-E46 PolarHBondContact O-N 3.33Å; S44-W47 WeakPolarHBondContact O-CB 3.28Å; S44-W47 PolarHBondContact O-N 2.93Å; S44-W47 WeakPolarHBondContact OG-CB 3.34Å; S44-I48 PolarHBondContact O-N 3.13Å
45Q75.3Confident70.4Confident144 Ų14465 Ų6567%0.67332%0.316SS*.Hα-helixtrans-56.9-38.1-174.7-170.7179.4-4.200112.6T43 W47 I48 K49T43-Q45 PolarHBondContact O-N 3.22Å; Q45-W47 VanDerWaalsContact C-N 3.32Å; Q45-W47 PolarHBondContact O-N 3.37Å; Q45-I48 PolarHBondContact O-N 2.92Å; Q45-K49 WeakPolarHBondContact O-CB 3.46Å; Q45-K49 PolarHBondContact O-N 3.37Å
46E74.5Confident71.3Confident162 Ų16266.7 Ų66.776%0.75733%0.326SS*.Hα-helixtrans-63.7-36.8176.2-62.1-175168.600112.7S44 T50S44-E46 VanDerWaalsContact C-N 3.25Å; S44-E46 PolarHBondContact O-N 3.33Å; E46-T50 WeakPolarHBondContact O-CB 3.11Å; E46-T50 PolarHBondContact O-N 3.19Å; E46-T50 VanDerWaalsContact O-N 3.09Å; E46-T50 PolarHBondContact O-OG1 3.27Å
47W78.2Confident72.1Confident48 Ų4870.4 Ų70.418%0.18234%0.341CS..Hα-helixtrans-72.2-47.2177.7-170.874.5000110.7L38 F39 K42 S44 Q45 K49 T50 Q51 W89L38-W47 HydrophobicContact CD2-CH2 3.44Å; L38-W47 VanDerWaalsContact CD2-CH2 3.44Å; L38-W47 HydrophobicContact CD2-CZ2 3.39Å; F39-W47 HydrophobicContact CD1-CH2 4.15Å; F39-W47 HydrophobicContact CD1-CZ3 4.14Å; F39-W47 HydrophobicContact CE1-CH2 4.13Å; F39-W47 HydrophobicContact CE1-CZ3 4.45Å; K42-W47 HydrophobicContact CB-CD2 4.02Å; K42-W47 HydrophobicContact CB-CE3 3.54Å; K42-W47 HydrophobicContact CB-CH2 4.35Å; K42-W47 HydrophobicContact CB-CZ3 3.67Å; K42-W47 HydrophobicContact CD-CD2 4.41Å; K42-W47 HydrophobicContact CD-CZ2 4.43Å; K42-W47 WeakPolarHBondContact O-CZ3 3.45Å; S44-W47 WeakPolarHBondContact O-CB 3.28Å; S44-W47 PolarHBondContact O-N 2.93Å; S44-W47 WeakPolarHBondContact OG-CB 3.34Å; Q45-W47 VanDerWaalsContact C-N 3.32Å; Q45-W47 PolarHBondContact O-N 3.37Å; W47-K49 VanDerWaalsContact C-N 3.3Å; W47-K49 PolarHBondContact O-N 2.97Å; W47-T50 PolarHBondContact O-N 2.83Å; W47-T50 VanDerWaalsContact O-N 3.13Å; W47-Q51 HydrophobicContact CD2-CG 3.89Å; W47-Q51 HydrophobicContact CE3-CG 4.32Å; W47-Q51 HydrophobicContact CG-CG 4.42Å; W47-Q51 HydrophobicContact CH2-CG 4.1Å; W47-Q51 HydrophobicContact CZ2-CG 3.64Å; W47-Q51 HydrophobicContact CZ3-CG 4.46Å; W47-Q51 WeakPolarHBondContact O-CG 3.1Å; W47-Q51 PolarHBondContact O-N 3.49Å; W47-W89 HydrophobicContact CD2-CH2 4.36Å; W47-W89 AromaticContact CE3-CH2 3.38Å; W47-W89 HydrophobicContact CE3-CH2 3.38Å; W47-W89 AromaticContact CE3-CZ2 3.35Å; W47-W89 HydrophobicContact CE3-CZ2 3.35Å; W47-W89 HydrophobicContact CH2-CH2 4.01Å; W47-W89 HydrophobicContact CH2-CZ2 4.18Å; W47-W89 AromaticContact CZ3-CH2 3.23Å; W47-W89 HydrophobicContact CZ3-CH2 3.23Å; W47-W89 AromaticContact CZ3-CZ2 3.1Å; W47-W89 HydrophobicContact CZ3-CZ2 3.1Å
48I78.4Confident72.9Confident3 Ų365 Ų652%0.01532%0.321CS..Hα-helixtrans-51.4-53174.7-65.2171.9000109.8S44 Q45 T50 Q51 V52 V88 W89 Y92S44-I48 PolarHBondContact O-N 3.13Å; Q45-I48 PolarHBondContact O-N 2.92Å; I48-T50 PolarHBondContact O-N 3.29Å; I48-Q51 PolarHBondContact O-N 2.92Å; I48-V52 HydrophobicContact CG2-CG2 4.08Å; I48-V52 WeakPolarHBondContact O-CB 3.27Å; I48-V52 VanDerWaalsContact O-CG2 3.27Å; I48-V52 WeakPolarHBondContact O-CG2 3.43Å; I48-V52 PolarHBondContact O-N 3.4Å; I48-V88 HydrophobicContact CD1-CG1 4Å; I48-W89 HydrophobicContact CB-CE3 4.38Å; I48-W89 HydrophobicContact CB-CH2 4.1Å; I48-W89 HydrophobicContact CB-CZ2 4.33Å; I48-W89 HydrophobicContact CB-CZ3 4.13Å; I48-W89 HydrophobicContact CD1-CD2 4.48Å; I48-W89 HydrophobicContact CD1-CZ2 4.38Å; I48-W89 HydrophobicContact CG1-CD2 4.04Å; I48-W89 HydrophobicContact CG1-CE3 4.19Å; I48-W89 HydrophobicContact CG1-CH2 3.71Å; I48-W89 HydrophobicContact CG1-CZ2 3.45Å; I48-W89 VanDerWaalsContact CG1-CZ2 3.45Å; I48-W89 HydrophobicContact CG1-CZ3 4.08Å; I48-W89 HydrophobicContact CG2-CD2 4.28Å; I48-W89 HydrophobicContact CG2-CE3 3.82Å; I48-W89 HydrophobicContact CG2-CH2 4.39Å; I48-W89 HydrophobicContact CG2-CZ3 3.93Å; I48-Y92 HydrophobicContact CG2-CD1 3.65Å; I48-Y92 HydrophobicContact CG2-CD2 4.03Å; I48-Y92 HydrophobicContact CG2-CE1 4.26Å; I48-Y92 HydrophobicContact CG2-CG 3.55Å
49K78.9Confident73.7Confident101 Ų10170.2 Ų70.244%0.43934%0.338SS..Hα-helixtrans-53.1-52.1177.1176.1167.1-178.1-177.20112.2Q45 W47 Q51 V52 E53 Y92Q45-K49 WeakPolarHBondContact O-CB 3.46Å; Q45-K49 PolarHBondContact O-N 3.37Å; W47-K49 VanDerWaalsContact C-N 3.3Å; W47-K49 PolarHBondContact O-N 2.97Å; K49-Q51 VanDerWaalsContact C-N 3.3Å; K49-Q51 PolarHBondContact O-N 3.49Å; K49-V52 PolarHBondContact O-N 2.86Å; K49-E53 WeakPolarHBondContact CE-OE1 3.31Å; K49-E53 HydrophobicContact CG-CG 4.38Å; K49-E53 WeakPolarHBondContact CG-OE1 3.37Å; K49-E53 WeakPolarHBondContact O-CB 2.89Å; K49-E53 VanDerWaalsContact O-CG 3.28Å; K49-E53 WeakPolarHBondContact O-CG 3.2Å; K49-E53 PolarHBondContact O-N 3.2Å; K49-Y92 WeakPolarHBondContact CA-OH 3.18Å; K49-Y92 HydrophobicContact CB-CE2 4.35Å; K49-Y92 VanDerWaalsContact CB-OH 3.25Å; K49-Y92 WeakPolarHBondContact CB-OH 3.41Å; K49-Y92 WeakPolarHBondContact CG-OH 3.25Å
50T77.8Confident74.7Confident61 Ų6174.7 Ų74.737%0.37437%0.365SS..Hα-helixtrans-62.9-35.2-177.7-56.90000112.6E46 W47 I48 K54E46-T50 WeakPolarHBondContact O-CB 3.11Å; E46-T50 PolarHBondContact O-N 3.19Å; E46-T50 VanDerWaalsContact O-N 3.09Å; E46-T50 PolarHBondContact O-OG1 3.27Å; W47-T50 PolarHBondContact O-N 2.83Å; W47-T50 VanDerWaalsContact O-N 3.13Å; I48-T50 PolarHBondContact O-N 3.29Å; T50-K54 WeakPolarHBondContact O-CD 3.45Å; T50-K54 VanDerWaalsContact O-CG 3.28Å; T50-K54 WeakPolarHBondContact O-CG 3.36Å
51Q77.8Confident75.5Confident20 Ų2074.5 Ų74.59%0.09336%0.363CS..Hα-helixtrans-77-45178.4-61.6-47.4-35.800112F21 W47 I48 K49 E53 K54 L55 W89F21-Q51 VanDerWaalsContact CZ-OE1 3.23Å; W47-Q51 HydrophobicContact CD2-CG 3.89Å; W47-Q51 HydrophobicContact CE3-CG 4.32Å; W47-Q51 HydrophobicContact CG-CG 4.42Å; W47-Q51 HydrophobicContact CH2-CG 4.1Å; W47-Q51 HydrophobicContact CZ2-CG 3.64Å; W47-Q51 HydrophobicContact CZ3-CG 4.46Å; W47-Q51 WeakPolarHBondContact O-CG 3.1Å; W47-Q51 PolarHBondContact O-N 3.49Å; I48-Q51 PolarHBondContact O-N 2.92Å; K49-Q51 VanDerWaalsContact C-N 3.3Å; K49-Q51 PolarHBondContact O-N 3.49Å; Q51-E53 VanDerWaalsContact C-N 3.35Å; Q51-E53 PolarHBondContact O-N 3.13Å; Q51-K54 WeakPolarHBondContact O-CB 3.47Å; Q51-K54 PolarHBondContact O-N 3.31Å; Q51-K54 VanDerWaalsContact O-N 3.11Å; Q51-L55 WeakPolarHBondContact O-CG 3.2Å; Q51-L55 PolarHBondContact O-N 3.3Å; Q51-W89 HydrophobicContact CB-CH2 4.21Å; Q51-W89 HydrophobicContact CB-CZ3 4.11Å; Q51-W89 HydrophobicContact CG-CH2 4.29Å
52V78.9Confident76.4Confident1 Ų167.3 Ų67.31%0.00633%0.33CS..Hα-helixtrans-64.6-41.1-179.9177.10000110.4I48 K49 K54 L55 V56 W89 Y92 H97I48-V52 HydrophobicContact CG2-CG2 4.08Å; I48-V52 WeakPolarHBondContact O-CB 3.27Å; I48-V52 VanDerWaalsContact O-CG2 3.27Å; I48-V52 WeakPolarHBondContact O-CG2 3.43Å; I48-V52 PolarHBondContact O-N 3.4Å; K49-V52 PolarHBondContact O-N 2.86Å; V52-K54 PolarHBondContact O-N 3.45Å; V52-L55 PolarHBondContact O-N 2.94Å; V52-L55 VanDerWaalsContact O-N 3.12Å; V52-V56 HydrophobicContact CG1-CG2 3.89Å; V52-V56 WeakPolarHBondContact O-CB 3.04Å; V52-V56 WeakPolarHBondContact O-CG2 3.4Å; V52-V56 PolarHBondContact O-N 2.92Å; V52-W89 HydrophobicContact CG2-CE3 4.12Å; V52-W89 HydrophobicContact CG2-CZ3 4.05Å; V52-Y92 HydrophobicContact CB-CD1 4.15Å; V52-Y92 HydrophobicContact CB-CE1 3.97Å; V52-Y92 HydrophobicContact CG1-CD1 4.18Å; V52-Y92 HydrophobicContact CG1-CE1 4.09Å; V52-Y92 HydrophobicContact CG2-CD1 3.97Å; V52-Y92 HydrophobicContact CG2-CE1 4.26Å; V52-H97 WeakPolarHBondContact CG1-CD2 3.41Å
53E79.2Confident77.2Confident87 Ų8764.7 Ų64.741%0.40732%0.318SS..Hα-helixtrans-60-29.4174.6-76.6178.3-176.200113.2K49 Q51 Q57K49-E53 WeakPolarHBondContact CE-OE1 3.31Å; K49-E53 HydrophobicContact CG-CG 4.38Å; K49-E53 WeakPolarHBondContact CG-OE1 3.37Å; K49-E53 WeakPolarHBondContact O-CB 2.89Å; K49-E53 VanDerWaalsContact O-CG 3.28Å; K49-E53 WeakPolarHBondContact O-CG 3.2Å; K49-E53 PolarHBondContact O-N 3.2Å; Q51-E53 VanDerWaalsContact C-N 3.35Å; Q51-E53 PolarHBondContact O-N 3.13Å; E53-Q57 WeakPolarHBondContact O-CG 3.45Å; E53-Q57 PolarHBondContact O-NE2 3.13Å; E53-Q57 VanDerWaalsContact O-NE2 3.14Å
54K77.8Confident78Confident71 Ų7167.9 Ų67.931%0.30932%0.324SS..Hα-helixtrans-79.4-40.8173.8-67.8173.5-169.8175.30111.9F21 T50 Q51 V52 Q57F21-K54 HydrophobicContact CD1-CD 3.99Å; F21-K54 HydrophobicContact CE1-CB 3.91Å; F21-K54 HydrophobicContact CE1-CD 3.35Å; F21-K54 HydrophobicContact CE1-CG 4.24Å; F21-K54 HydrophobicContact CZ-CD 3.72Å; T50-K54 WeakPolarHBondContact O-CD 3.45Å; T50-K54 VanDerWaalsContact O-CG 3.28Å; T50-K54 WeakPolarHBondContact O-CG 3.36Å; Q51-K54 WeakPolarHBondContact O-CB 3.47Å; Q51-K54 PolarHBondContact O-N 3.31Å; Q51-K54 VanDerWaalsContact O-N 3.11Å; V52-K54 PolarHBondContact O-N 3.45Å; K54-Q57 WeakPolarHBondContact O-CB 3.44Å; K54-Q57 PolarHBondContact O-N 3.39Å
55L77.6Confident78.4Confident1 Ų164.7 Ų64.71%0.00530%0.301CS..Hα-helixtrans-65.5-40.9178.4-75.3166000111.9L25 Q51 V52 Q57 S58 H61 F65L25-L55 HydrophobicContact CD1-CD2 3.67Å; L25-L55 HydrophobicContact CD1-CG 4.17Å; Q51-L55 WeakPolarHBondContact O-CG 3.2Å; Q51-L55 PolarHBondContact O-N 3.3Å; V52-L55 PolarHBondContact O-N 2.94Å; V52-L55 VanDerWaalsContact O-N 3.12Å; L55-Q57 PolarHBondContact O-N 3.4Å; L55-S58 CarbonylContact O-C 3.56Å; L55-S58 PolarHBondContact O-N 3.34Å; L55-H61 HydrophobicContact CD2-CB 3.81Å; L55-F65 HydrophobicContact CD1-CB 4.29Å; L55-F65 HydrophobicContact CD1-CD1 3.72Å; L55-F65 HydrophobicContact CD1-CD2 4.13Å; L55-F65 HydrophobicContact CD1-CE1 3.97Å; L55-F65 HydrophobicContact CD1-CE2 4.35Å; L55-F65 HydrophobicContact CD1-CG 3.78Å; L55-F65 HydrophobicContact CD1-CZ 4.26Å; L55-F65 HydrophobicContact CD2-CB 4.45Å
56V77.7Confident79Confident36 Ų3657.8 Ų57.822%0.21827%0.269CS..THydrogen-bonded Turntrans-62.7-25.4-179.9171.30000112.2V52 S58 L62 H97V52-V56 HydrophobicContact CG1-CG2 3.89Å; V52-V56 WeakPolarHBondContact O-CB 3.04Å; V52-V56 WeakPolarHBondContact O-CG2 3.4Å; V52-V56 PolarHBondContact O-N 2.92Å; V56-S58 PolarHBondContact O-N 3.41Å; V56-L62 HydrophobicContact CG2-CD1 4.11Å; V56-L62 HydrophobicContact CG2-CD2 4.25Å; V56-H97 HydrophobicContact CG2-CB 4.12Å
57Q76.5Confident79.5Confident143 Ų14352.6 Ų52.667%0.66825%0.245SC*.THydrogen-bonded Turntrans-65.4-22173.6-67.3171.435.200112.8E53 K54 L55E53-Q57 WeakPolarHBondContact O-CG 3.45Å; E53-Q57 PolarHBondContact O-NE2 3.13Å; E53-Q57 VanDerWaalsContact O-NE2 3.14Å; K54-Q57 WeakPolarHBondContact O-CB 3.44Å; K54-Q57 PolarHBondContact O-N 3.39Å; L55-Q57 PolarHBondContact O-N 3.4Å
58S76Confident79.7Confident26 Ų2652 Ų5218%0.18225%0.246CC..  trans-122.7107.8175.4-171.90000111.8L55 V56 T60 H61 L62L55-S58 CarbonylContact O-C 3.56Å; L55-S58 PolarHBondContact O-N 3.34Å; V56-S58 PolarHBondContact O-N 3.41Å; S58-T60 PolarHBondContact O-N 2.96Å; S58-T60 VanDerWaalsContact O-N 3.15Å; S58-H61 WeakPolarHBondContact CB-ND1 3.36Å; S58-H61 PolarHBondContact O-N 3.4Å; S58-H61 VanDerWaalsContact O-N 3.12Å; S58-H61 PolarHBondContact OG-ND1 3.35Å; S58-L62 PolarHBondContact O-N 3.46Å
59R77Confident80Confident155 Ų15551.9 Ų51.959%0.58525%0.246SC*.Hα-helixtrans-54.8-36.1179.8-173.7176.7177-173.7-2.9113.4F63R59-F63 WeakPolarHBondContact O-CB 3.37Å; R59-F63 PolarHBondContact O-N 3.01Å
60T79.2Confident80.4Confident97 Ų9747.1 Ų47.160%0.59523%0.225SC*.Hα-helixtrans-67.3-45.2179.3-48.90000111.7S58 F63 R64S58-T60 PolarHBondContact O-N 2.96Å; S58-T60 VanDerWaalsContact O-N 3.15Å; T60-F63 PolarHBondContact O-N 2.81Å; T60-R64 WeakPolarHBondContact O-CG 3.35Å; T60-R64 PolarHBondContact O-N 3.48Å
61H77.6Confident80.7Confident17 Ų1748.2 Ų48.28%0.07923%0.229CC..Hα-helixtrans-69.1-39.2179-6381.8000111.1L22 D26 L55 S58 F63 R64 F65L22-H61 PolarHBondContact O-NE2 3.01Å; D26-H61 IonicContact OD1-CD2 3.78Å; D26-H61 PolarHBondContact OD1-CD2 3.3Å; D26-H61 IonicContact OD1-NE2 3.08Å; D26-H61 PolarHBondContact OD1-NE2 3.19Å; D26-H61 IonicContact OD2-NE2 3.26Å; D26-H61 PolarHBondContact OD2-NE2 3.34Å; L55-H61 HydrophobicContact CD2-CB 3.81Å; S58-H61 WeakPolarHBondContact CB-ND1 3.36Å; S58-H61 PolarHBondContact O-N 3.4Å; S58-H61 VanDerWaalsContact O-N 3.12Å; S58-H61 PolarHBondContact OG-ND1 3.35Å; H61-F63 VanDerWaalsContact C-N 3.34Å; H61-F63 PolarHBondContact O-N 3.35Å; H61-R64 PolarHBondContact O-N 3.36Å; H61-F65 WeakPolarHBondContact O-CB 3.17Å; H61-F65 PolarHBondContact O-N 3.01Å
62L81.6Confident81Confident4 Ų448 Ų482%0.02123%0.227CC..Hα-helixtrans-59.9-45.4173.7-174.264.6000111.5V56 S58 F65 I66 M101 I106V56-L62 HydrophobicContact CG2-CD1 4.11Å; V56-L62 HydrophobicContact CG2-CD2 4.25Å; S58-L62 PolarHBondContact O-N 3.46Å; L62-F65 PolarHBondContact O-N 3.33Å; L62-I66 WeakPolarHBondContact O-CG1 3.33Å; L62-I66 PolarHBondContact O-N 2.97Å; L62-M101 HydrophobicContact CD1-CE 3.63Å; L62-M101 HydrophobicContact CD2-CE 3.49Å; L62-M101 VanDerWaalsContact CD2-CE 3.49Å; L62-M101 HydrophobicContact CG-CE 3.63Å; L62-I106 HydrophobicContact CD2-CD1 3.94Å; L62-I106 HydrophobicContact CG-CD1 3.95Å
63F82.7Confident81.2Confident56 Ų5648.4 Ų48.425%0.24623%0.229CC..Hα-helixtrans-59.6-49.9175.9168.1-100000111.9R59 T60 H61 F65 I66 E67 G105 I106 P109R59-F63 WeakPolarHBondContact O-CB 3.37Å; R59-F63 PolarHBondContact O-N 3.01Å; T60-F63 PolarHBondContact O-N 2.81Å; H61-F63 VanDerWaalsContact C-N 3.34Å; H61-F63 PolarHBondContact O-N 3.35Å; F63-F65 VanDerWaalsContact C-N 3.3Å; F63-F65 PolarHBondContact O-N 3.4Å; F63-I66 PolarHBondContact O-N 2.99Å; F63-E67 WeakPolarHBondContact CE1-OE2 3.15Å; F63-E67 WeakPolarHBondContact O-CB 3.35Å; F63-E67 PolarHBondContact O-N 3.19Å; F63-G105 WeakPolarHBondContact CE2-O 3.25Å; F63-I106 HydrophobicContact CB-CG1 4.28Å; F63-I106 HydrophobicContact CD2-CG1 4.16Å; F63-P109 HydrophobicContact CE2-CG 4.3Å
64R81.5Confident81.4Confident125 Ų12546.8 Ų46.847%0.47223%0.226SC..Hα-helixtrans-60.5-40.2177.5-72.1-58.8-167.2-176.25.9112.2L29 T60 H61 E67 V68L29-R64 HydrophobicContact CD1-CB 4.27Å; T60-R64 WeakPolarHBondContact O-CG 3.35Å; T60-R64 PolarHBondContact O-N 3.48Å; H61-R64 PolarHBondContact O-N 3.36Å; R64-E67 WeakPolarHBondContact CD-OE2 3.4Å; R64-E67 IonicContact CZ-OE2 3.45Å; R64-E67 IonicContact NH1-OE1 3.93Å; R64-E67 IonicContact NH1-OE2 2.78Å; R64-E67 PolarHBondContact NH1-OE2 2.76Å; R64-E67 PolarHBondContact O-N 2.78Å; R64-V68 VanDerWaalsContact O-CG2 3.27Å; R64-V68 WeakPolarHBondContact O-CG2 3.27Å; R64-V68 PolarHBondContact O-N 3.09Å
65F83.5Confident81.5Confident0 Ų045.9 Ų45.90%023%0.228CC..Hα-helixtrans-62.6-49.2177.4178.6-118.8000112.1L29 F35 F39 L55 H61 L62 F63 E67 V68 L69 W89L29-F65 HydrophobicContact CD1-CB 4.47Å; L29-F65 HydrophobicContact CD2-CB 4.1Å; L29-F65 HydrophobicContact CD2-CD2 3.69Å; L29-F65 HydrophobicContact CD2-CG 4.39Å; F35-F65 HydrophobicContact CE2-CE2 4.36Å; F39-F65 HydrophobicContact CD1-CE2 4.03Å; F39-F65 HydrophobicContact CD1-CZ 4.43Å; F39-F65 AromaticContact CE1-CE2 3.6Å; F39-F65 HydrophobicContact CE1-CE2 3.6Å; F39-F65 HydrophobicContact CE1-CZ 4.14Å; F39-F65 HydrophobicContact CE2-CE2 4.49Å; F39-F65 HydrophobicContact CZ-CD2 4.43Å; F39-F65 AromaticContact CZ-CE2 3.85Å; F39-F65 HydrophobicContact CZ-CE2 3.85Å; L55-F65 HydrophobicContact CD1-CB 4.29Å; L55-F65 HydrophobicContact CD1-CD1 3.72Å; L55-F65 HydrophobicContact CD1-CD2 4.13Å; L55-F65 HydrophobicContact CD1-CE1 3.97Å; L55-F65 HydrophobicContact CD1-CE2 4.35Å; L55-F65 HydrophobicContact CD1-CG 3.78Å; L55-F65 HydrophobicContact CD1-CZ 4.26Å; L55-F65 HydrophobicContact CD2-CB 4.45Å; H61-F65 WeakPolarHBondContact O-CB 3.17Å; H61-F65 PolarHBondContact O-N 3.01Å; L62-F65 PolarHBondContact O-N 3.33Å; F63-F65 VanDerWaalsContact C-N 3.3Å; F63-F65 PolarHBondContact O-N 3.4Å; F65-E67 VanDerWaalsContact C-N 3.34Å; F65-E67 PolarHBondContact O-N 3.42Å; F65-V68 PolarHBondContact O-N 3.19Å; F65-L69 HydrophobicContact CD1-CD1 3.8Å; F65-L69 HydrophobicContact CD2-CD1 4.25Å; F65-L69 HydrophobicContact CD2-CG 4.37Å; F65-L69 HydrophobicContact CE1-CD1 3.4Å; F65-L69 HydrophobicContact CE1-CG 4.42Å; F65-L69 HydrophobicContact CE2-CD1 3.9Å; F65-L69 HydrophobicContact CE2-CD2 4.27Å; F65-L69 HydrophobicContact CE2-CG 4.08Å; F65-L69 HydrophobicContact CG-CD1 4.23Å; F65-L69 HydrophobicContact CZ-CD1 3.47Å; F65-L69 VanDerWaalsContact CZ-CD1 3.47Å; F65-L69 HydrophobicContact CZ-CD2 4.27Å; F65-L69 HydrophobicContact CZ-CG 4.12Å; F65-L69 WeakPolarHBondContact O-CG 3.48Å; F65-L69 PolarHBondContact O-N 3.48Å; F65-W89 HydrophobicContact CE1-CE3 4.21Å; F65-W89 HydrophobicContact CZ-CD2 4.19Å; F65-W89 AromaticContact CZ-CE3 3.54Å; F65-W89 HydrophobicContact CZ-CE3 3.54Å; F65-W89 HydrophobicContact CZ-CZ3 4.08Å
66I86.2Confident81.1Confident0 Ų048.1 Ų48.10%025%0.251CS..Hα-helixtrans-63.5-42.1176.6-60.5-62.3000110.7L62 F63 V68 L69 T70 L90 C93 M101 I106 P109 L110L62-I66 WeakPolarHBondContact O-CG1 3.33Å; L62-I66 PolarHBondContact O-N 2.97Å; F63-I66 PolarHBondContact O-N 2.99Å; I66-V68 VanDerWaalsContact C-N 3.33Å; I66-V68 PolarHBondContact O-N 2.96Å; I66-L69 HydrophobicContact CD1-CD1 4.26Å; I66-L69 PolarHBondContact O-N 3.31Å; I66-T70 HydrophobicContact CG2-CG2 4.03Å; I66-T70 WeakPolarHBondContact O-CG2 3.37Å; I66-T70 PolarHBondContact O-N 2.9Å; I66-T70 PolarHBondContact O-OG1 3.34Å; I66-L90 HydrophobicContact CD1-CD2 3.79Å; I66-L90 HydrophobicContact CG2-CD2 4.31Å; I66-C93 HydrophobicContact CD1-CB 4.18Å; I66-M101 HydrophobicContact CD1-CE 4.04Å; I66-M101 HydrophobicContact CD1-SD 3.79Å; I66-M101 HydrophobicContact CG1-CE 3.94Å; I66-M101 HydrophobicContact CG1-SD 3.96Å; I66-I106 HydrophobicContact CB-CG2 4.19Å; I66-I106 HydrophobicContact CG1-CG2 4.14Å; I66-I106 HydrophobicContact CG2-CG2 3.85Å; I66-P109 HydrophobicContact CG2-CG 4.4Å; I66-L110 HydrophobicContact CG2-CD2 4.2Å; I66-L110 HydrophobicContact CG2-CG 4.39Å
67E84.9Confident81.1Confident52 Ų5253.4 Ų53.424%0.24328%0.278CS..Hα-helixtrans-57-45.1176-179.6176.9-144.700111.9F63 R64 F65 T70 N71F63-E67 WeakPolarHBondContact CE1-OE2 3.15Å; F63-E67 WeakPolarHBondContact O-CB 3.35Å; F63-E67 PolarHBondContact O-N 3.19Å; R64-E67 WeakPolarHBondContact CD-OE2 3.4Å; R64-E67 IonicContact CZ-OE2 3.45Å; R64-E67 IonicContact NH1-OE1 3.93Å; R64-E67 IonicContact NH1-OE2 2.78Å; R64-E67 PolarHBondContact NH1-OE2 2.76Å; R64-E67 PolarHBondContact O-N 2.78Å; F65-E67 VanDerWaalsContact C-N 3.34Å; F65-E67 PolarHBondContact O-N 3.42Å; E67-T70 PolarHBondContact O-OG1 2.92Å; E67-N71 WeakPolarHBondContact O-CB 3.32Å; E67-N71 PolarHBondContact O-N 3.48Å; E67-N71 PolarHBondContact O-ND2 3.03Å
68V83.3Confident81.1Confident36 Ų3649.6 Ų49.622%0.21826%0.26CS..Hα-helixtrans-64.6-45.8176.1173.50000111.1F35 R64 F65 I66 T70 N71 F72F35-V68 HydrophobicContact CD1-CG1 4.25Å; F35-V68 HydrophobicContact CD2-CG1 3.54Å; F35-V68 HydrophobicContact CE1-CG1 4.18Å; F35-V68 HydrophobicContact CE2-CB 4.37Å; F35-V68 HydrophobicContact CE2-CG1 3.46Å; F35-V68 VanDerWaalsContact CE2-CG1 3.46Å; F35-V68 HydrophobicContact CG-CG1 3.95Å; F35-V68 HydrophobicContact CZ-CG1 3.79Å; R64-V68 VanDerWaalsContact O-CG2 3.27Å; R64-V68 WeakPolarHBondContact O-CG2 3.27Å; R64-V68 PolarHBondContact O-N 3.09Å; F65-V68 PolarHBondContact O-N 3.19Å; I66-V68 VanDerWaalsContact C-N 3.33Å; I66-V68 PolarHBondContact O-N 2.96Å; V68-T70 PolarHBondContact O-N 3.23Å; V68-N71 PolarHBondContact O-N 3.42Å; V68-F72 VanDerWaalsContact O-CB 3.23Å; V68-F72 WeakPolarHBondContact O-CB 3.18Å; V68-F72 PolarHBondContact O-N 2.84Å
69L85.1Confident81Confident0 Ų054.4 Ų54.40%028%0.28CS..Hα-helixtrans-60.7-45.1177.8-71168.8000112.1F35 F65 I66 F72 I73 V86 W89 L90F35-L69 HydrophobicContact CE2-CD2 4.25Å; F35-L69 HydrophobicContact CZ-CD2 3.59Å; F35-L69 HydrophobicContact CZ-CG 4.23Å; F65-L69 HydrophobicContact CD1-CD1 3.8Å; F65-L69 HydrophobicContact CD2-CD1 4.25Å; F65-L69 HydrophobicContact CD2-CG 4.37Å; F65-L69 HydrophobicContact CE1-CD1 3.4Å; F65-L69 HydrophobicContact CE1-CG 4.42Å; F65-L69 HydrophobicContact CE2-CD1 3.9Å; F65-L69 HydrophobicContact CE2-CD2 4.27Å; F65-L69 HydrophobicContact CE2-CG 4.08Å; F65-L69 HydrophobicContact CG-CD1 4.23Å; F65-L69 HydrophobicContact CZ-CD1 3.47Å; F65-L69 VanDerWaalsContact CZ-CD1 3.47Å; F65-L69 HydrophobicContact CZ-CD2 4.27Å; F65-L69 HydrophobicContact CZ-CG 4.12Å; F65-L69 WeakPolarHBondContact O-CG 3.48Å; F65-L69 PolarHBondContact O-N 3.48Å; I66-L69 HydrophobicContact CD1-CD1 4.26Å; I66-L69 PolarHBondContact O-N 3.31Å; L69-F72 WeakPolarHBondContact O-CB 3.15Å; L69-F72 PolarHBondContact O-N 3.34Å; L69-I73 WeakPolarHBondContact O-CG1 3.38Å; L69-I73 PolarHBondContact O-N 3.41Å; L69-I73 VanDerWaalsContact O-N 3.16Å; L69-V86 HydrophobicContact CB-CG1 4.24Å; L69-V86 HydrophobicContact CD2-CB 4.39Å; L69-V86 HydrophobicContact CD2-CG1 3.59Å; L69-V86 HydrophobicContact CD2-CG2 4.39Å; L69-W89 HydrophobicContact CD1-CB 4.23Å; L69-W89 HydrophobicContact CD2-CB 4.09Å; L69-L90 HydrophobicContact CB-CD1 4.3Å; L69-L90 HydrophobicContact CB-CD2 3.84Å; L69-L90 HydrophobicContact CB-CG 4.03Å; L69-L90 HydrophobicContact CD1-CD2 3.69Å; L69-L90 HydrophobicContact CD1-CG 4.02Å; L69-L90 HydrophobicContact CG-CD2 4.42Å
70T86.3Confident81Confident1 Ų151.6 Ų51.61%0.00628%0.282CS..Hα-helixtrans-68.3-42.8179.454.20000111.6I66 E67 V68 F72 I73 V74 P109 L110 L113I66-T70 HydrophobicContact CG2-CG2 4.03Å; I66-T70 WeakPolarHBondContact O-CG2 3.37Å; I66-T70 PolarHBondContact O-N 2.9Å; I66-T70 PolarHBondContact O-OG1 3.34Å; E67-T70 PolarHBondContact O-OG1 2.92Å; V68-T70 PolarHBondContact O-N 3.23Å; T70-F72 VanDerWaalsContact C-N 3.28Å; T70-F72 PolarHBondContact O-N 2.96Å; T70-I73 PolarHBondContact O-N 3.18Å; T70-V74 WeakPolarHBondContact O-CB 3.37Å; T70-V74 VanDerWaalsContact O-CG2 3.27Å; T70-V74 WeakPolarHBondContact O-CG2 3.34Å; T70-V74 PolarHBondContact O-N 3.41Å; T70-P109 HydrophobicContact CG2-CB 4.06Å; T70-P109 VanDerWaalsContact OG1-CB 3.25Å; T70-P109 WeakPolarHBondContact OG1-CB 3.35Å; T70-L110 HydrophobicContact CG2-CD2 4.41Å; T70-L113 HydrophobicContact CG2-CB 4.08Å; T70-L113 HydrophobicContact CG2-CD2 4.13Å
71N85.3Confident81Confident84 Ų8451.6 Ų51.645%0.44928%0.275SS..Hα-helixtrans-66.1-35.2178.4-71-15.6000111.2E67 V68 V74 S75E67-N71 WeakPolarHBondContact O-CB 3.32Å; E67-N71 PolarHBondContact O-N 3.48Å; E67-N71 PolarHBondContact O-ND2 3.03Å; V68-N71 PolarHBondContact O-N 3.42Å; N71-V74 PolarHBondContact O-N 3.4Å; N71-S75 VanDerWaalsContact O-CB 3.28Å; N71-S75 WeakPolarHBondContact O-CB 3.36Å; N71-S75 PolarHBondContact O-N 2.89Å
72F83.1Confident80.9Confident15 Ų1552.2 Ų52.27%0.06628%0.279CS..Hα-helixtrans-56.9-54.7172.5-173.3-88.7000110.3F35 N36 V68 L69 T70 V74 S75 H78 V82 V86F35-F72 HydrophobicContact CD1-CD2 4.18Å; F35-F72 HydrophobicContact CE1-CB 4.39Å; F35-F72 AromaticContact CE1-CD2 3.93Å; F35-F72 HydrophobicContact CE1-CD2 3.93Å; F35-F72 HydrophobicContact CE1-CE2 4.49Å; F35-F72 HydrophobicContact CE1-CG 4.13Å; N36-F72 WeakPolarHBondContact OD1-CE2 3.45Å; V68-F72 VanDerWaalsContact O-CB 3.23Å; V68-F72 WeakPolarHBondContact O-CB 3.18Å; V68-F72 PolarHBondContact O-N 2.84Å; L69-F72 WeakPolarHBondContact O-CB 3.15Å; L69-F72 PolarHBondContact O-N 3.34Å; T70-F72 VanDerWaalsContact C-N 3.28Å; T70-F72 PolarHBondContact O-N 2.96Å; F72-V74 PolarHBondContact O-N 3.17Å; F72-S75 PolarHBondContact O-N 3.44Å; F72-S75 PolarHBondContact O-OG 3.35Å; F72-H78 AromaticContact CD1-CD2 3.53Å; F72-H78 AromaticContact CD2-CD2 3.48Å; F72-H78 VanDerWaalsContact CD2-CD2 3.48Å; F72-H78 WeakPolarHBondContact CD2-CD2 3.38Å; F72-H78 AromaticContact CD2-NE2 3.22Å; F72-H78 WeakPolarHBondContact CD2-NE2 3.43Å; F72-H78 HydrophobicContact CE1-CB 4.01Å; F72-H78 AromaticContact CE1-CD2 3.32Å; F72-H78 WeakPolarHBondContact CE1-CD2 3.42Å; F72-H78 AromaticContact CE1-CG 3.8Å; F72-H78 AromaticContact CE2-CD2 3.25Å; F72-H78 WeakPolarHBondContact CE2-CD2 3.47Å; F72-H78 AromaticContact CE2-CE1 3.68Å; F72-H78 AromaticContact CE2-CG 3.8Å; F72-H78 AromaticContact CE2-NE2 3.15Å; F72-H78 WeakPolarHBondContact CE2-NE2 3.48Å; F72-H78 AromaticContact CG-CD2 3.59Å; F72-H78 AromaticContact CG-NE2 3.73Å; F72-H78 HydrophobicContact CZ-CB 3.93Å; F72-H78 AromaticContact CZ-CD2 3.15Å; F72-H78 WeakPolarHBondContact CZ-CD2 3.39Å; F72-H78 AromaticContact CZ-CG 3.43Å; F72-H78 VanDerWaalsContact CZ-CG 3.43Å; F72-H78 AromaticContact CZ-NE2 3.62Å; F72-H78 PolarHBondContact O-CD2 3.14Å; F72-V82 HydrophobicContact CE1-CB 4.48Å; F72-V82 HydrophobicContact CE1-CG1 3.66Å; F72-V82 HydrophobicContact CZ-CB 4.39Å; F72-V82 HydrophobicContact CZ-CG1 3.36Å; F72-V86 HydrophobicContact CD1-CB 4.12Å; F72-V86 HydrophobicContact CD1-CG1 4.08Å; F72-V86 HydrophobicContact CD1-CG2 3.67Å; F72-V86 HydrophobicContact CE1-CB 4.43Å; F72-V86 HydrophobicContact CE1-CG2 3.78Å; F72-V86 HydrophobicContact CG-CG2 4.4Å
73I82.6Confident80.9Confident10 Ų1053.4 Ų53.45%0.05129%0.287CS..Hα-helixtrans-60.5-46.7179.9-62164.2000111.8L69 T70 S75 V83 V86 L87 L90 L113 Y116L69-I73 WeakPolarHBondContact O-CG1 3.38Å; L69-I73 PolarHBondContact O-N 3.41Å; L69-I73 VanDerWaalsContact O-N 3.16Å; T70-I73 PolarHBondContact O-N 3.18Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 3.18Å; I73-V83 HydrophobicContact CG1-CG1 4.26Å; I73-V83 HydrophobicContact CG2-CG1 4.14Å; I73-V86 HydrophobicContact CD1-CG1 3.89Å; I73-V86 HydrophobicContact CG1-CG1 3.73Å; I73-L87 HydrophobicContact CD1-CD2 3.63Å; I73-L87 HydrophobicContact CD1-CG 4.18Å; I73-L90 HydrophobicContact CD1-CD1 3.3Å; I73-L113 HydrophobicContact CB-CD1 3.89Å; I73-L113 HydrophobicContact CD1-CD1 3.85Å; I73-L113 HydrophobicContact CD1-CD2 4.37Å; I73-L113 HydrophobicContact CG2-CD1 3.62Å; I73-Y116 HydrophobicContact CG2-CD1 4.17Å; I73-Y116 HydrophobicContact CG2-CE1 3.92Å
74V83.5Confident80.9Confident54 Ų5456.8 Ų56.833%0.32730%0.303SS..Hα-helixtrans-70.2-25.8-175.1174.40000112.5T70 N71 F72 G76 L113 Y116T70-V74 WeakPolarHBondContact O-CB 3.37Å; T70-V74 VanDerWaalsContact O-CG2 3.27Å; T70-V74 WeakPolarHBondContact O-CG2 3.34Å; T70-V74 PolarHBondContact O-N 3.41Å; N71-V74 PolarHBondContact O-N 3.4Å; F72-V74 PolarHBondContact O-N 3.17Å; V74-G76 PolarHBondContact O-N 2.93Å; V74-L113 HydrophobicContact CG2-CD1 4.38Å; V74-Y116 HydrophobicContact CG1-CD2 4.33Å; V74-Y116 HydrophobicContact CG2-CD1 4.27Å; V74-Y116 HydrophobicContact CG2-CG 4.01Å
75S80.2Confident80.9Confident52 Ų5252.1 Ų52.136%0.36429%0.287SS..THydrogen-bonded Turntrans-64.2-12.4-177.471.70000114.6N71 F72 I73 N77 H78N71-S75 VanDerWaalsContact O-CB 3.28Å; N71-S75 WeakPolarHBondContact O-CB 3.36Å; N71-S75 PolarHBondContact O-N 2.89Å; F72-S75 PolarHBondContact O-N 3.44Å; F72-S75 PolarHBondContact O-OG 3.35Å; I73-S75 VanDerWaalsContact C-N 3.3Å; I73-S75 PolarHBondContact O-N 3.18Å; S75-N77 PolarHBondContact O-N 3.2Å; S75-H78 PolarHBondContact OG-CD2 3.04Å; S75-H78 PolarHBondContact OG-NE2 3.03Å
76G70.3Confident80.9Confident47 Ų4752.1 Ų52.149%0.48529%0.287SS..  trans67.9-15.217000000116.2V74 H78V74-G76 PolarHBondContact O-N 2.93Å; G76-H78 VanDerWaalsContact C-N 3.26Å; G76-H78 PolarHBondContact O-N 2.87Å
77N77Confident80.9Confident148 Ų14855.9 Ų55.979%0.79131%0.307SS*.  trans-91.529.1-172.1-64.4-24.4000113S75S75-N77 PolarHBondContact O-N 3.2Å
78H76Confident80.9Confident62 Ų6256.6 Ų56.629%0.28731%0.314SS..SBendtrans-126.3142.1-172.2-60.6-30000111.6F72 S75 G76 V83F72-H78 AromaticContact CD1-CD2 3.53Å; F72-H78 AromaticContact CD2-CD2 3.48Å; F72-H78 VanDerWaalsContact CD2-CD2 3.48Å; F72-H78 WeakPolarHBondContact CD2-CD2 3.38Å; F72-H78 AromaticContact CD2-NE2 3.22Å; F72-H78 WeakPolarHBondContact CD2-NE2 3.43Å; F72-H78 HydrophobicContact CE1-CB 4.01Å; F72-H78 AromaticContact CE1-CD2 3.32Å; F72-H78 WeakPolarHBondContact CE1-CD2 3.42Å; F72-H78 AromaticContact CE1-CG 3.8Å; F72-H78 AromaticContact CE2-CD2 3.25Å; F72-H78 WeakPolarHBondContact CE2-CD2 3.47Å; F72-H78 AromaticContact CE2-CE1 3.68Å; F72-H78 AromaticContact CE2-CG 3.8Å; F72-H78 AromaticContact CE2-NE2 3.15Å; F72-H78 WeakPolarHBondContact CE2-NE2 3.48Å; F72-H78 AromaticContact CG-CD2 3.59Å; F72-H78 AromaticContact CG-NE2 3.73Å; F72-H78 HydrophobicContact CZ-CB 3.93Å; F72-H78 AromaticContact CZ-CD2 3.15Å; F72-H78 WeakPolarHBondContact CZ-CD2 3.39Å; F72-H78 AromaticContact CZ-CG 3.43Å; F72-H78 VanDerWaalsContact CZ-CG 3.43Å; F72-H78 AromaticContact CZ-NE2 3.62Å; F72-H78 PolarHBondContact O-CD2 3.14Å; S75-H78 PolarHBondContact OG-CD2 3.04Å; S75-H78 PolarHBondContact OG-NE2 3.03Å; G76-H78 VanDerWaalsContact C-N 3.26Å; G76-H78 PolarHBondContact O-N 2.87Å; H78-V83 HydrophobicContact CB-CG2 3.9Å
79H74.1Confident81Confident128 Ų12854.9 Ų54.959%0.59330%0.304SS*.  trans-60.6138.3177.6-171.5-84.6000110.6H81 V82 V83H79-H81 VanDerWaalsContact C-N 3.27Å; H79-H81 WeakPolarHBondContact ND1-CB 3.33Å; H79-H81 PolarHBondContact ND1-N 3.1Å; H79-H81 PolarHBondContact O-N 3.18Å; H79-H81 VanDerWaalsContact O-N 3.16Å; H79-V82 HydrophobicContact CB-CG2 4.15Å; H79-V82 WeakPolarHBondContact O-CB 3.48Å; H79-V82 PolarHBondContact O-N 3.05Å; H79-V83 PolarHBondContact O-N 3.31Å
80P77.5Confident81.1Confident96 Ų9655.1 Ų55.162%0.62331%0.305SS*.Hα-helixtrans-55.7-38.3-173.419.4-33.7000113.6V82 V83 Q84P80-V82 VanDerWaalsContact C-N 3.27Å; P80-V82 PolarHBondContact O-N 3.18Å; P80-V83 PolarHBondContact O-N 3.45Å; P80-Q84 PolarHBondContact O-N 3.49Å
81H78.2Confident81.1Confident97 Ų9759 Ų5945%0.44933%0.326SS..Hα-helixtrans-57.6-39.4174.9179.1-97.4000112.7H79 Q84 Q85H79-H81 VanDerWaalsContact C-N 3.27Å; H79-H81 WeakPolarHBondContact ND1-CB 3.33Å; H79-H81 PolarHBondContact ND1-N 3.1Å; H79-H81 PolarHBondContact O-N 3.18Å; H79-H81 VanDerWaalsContact O-N 3.16Å; H81-Q84 PolarHBondContact O-N 2.92Å; H81-Q85 PolarHBondContact CE1-NE2 3.16Å; H81-Q85 WeakPolarHBondContact O-CG 3.44Å; H81-Q85 PolarHBondContact O-N 3.48Å; H81-Q85 VanDerWaalsContact O-N 3.13Å
82V77.2Confident81.1Confident29 Ų2956 Ų5618%0.17631%0.309CS..Hα-helixtrans-71.2-40-179.8-175.50000110.6V40 F72 H79 P80 Q84 Q85 V86V40-V82 HydrophobicContact CB-CG1 4.26Å; V40-V82 HydrophobicContact CG1-CB 4.35Å; V40-V82 HydrophobicContact CG1-CG1 3.78Å; V40-V82 HydrophobicContact CG1-CG2 3.96Å; V40-V82 HydrophobicContact CG2-CG1 3.44Å; V40-V82 VanDerWaalsContact CG2-CG1 3.44Å; F72-V82 HydrophobicContact CE1-CB 4.48Å; F72-V82 HydrophobicContact CE1-CG1 3.66Å; F72-V82 HydrophobicContact CZ-CB 4.39Å; F72-V82 HydrophobicContact CZ-CG1 3.36Å; H79-V82 HydrophobicContact CB-CG2 4.15Å; H79-V82 WeakPolarHBondContact O-CB 3.48Å; H79-V82 PolarHBondContact O-N 3.05Å; P80-V82 VanDerWaalsContact C-N 3.27Å; P80-V82 PolarHBondContact O-N 3.18Å; V82-Q84 VanDerWaalsContact C-N 3.33Å; V82-Q85 PolarHBondContact O-N 3.34Å; V82-V86 PolarHBondContact O-N 3.22Å; V82-V86 VanDerWaalsContact O-N 3.08Å
83V81.4Confident81.2Confident30 Ų3055.3 Ų55.318%0.18231%0.306CS..Hα-helixtrans-61.2-43.6173.9177.70000110.6I73 H78 H79 P80 Q85 V86 L87I73-V83 HydrophobicContact CG1-CG1 4.26Å; I73-V83 HydrophobicContact CG2-CG1 4.14Å; H78-V83 HydrophobicContact CB-CG2 3.9Å; H79-V83 PolarHBondContact O-N 3.31Å; P80-V83 PolarHBondContact O-N 3.45Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 3.17Å; V83-V86 PolarHBondContact O-N 2.65Å; V83-L87 HydrophobicContact CG1-CD1 4.21Å; V83-L87 HydrophobicContact CG1-CG 4.49Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 3.48Å
84Q82.1Confident81.3Confident126 Ų12658.5 Ų58.559%0.58932%0.322SS*.Hα-helixtrans-58.6-44.5176.7-175.1-178.94.400111.9P80 H81 V82 V86 L87 V88P80-Q84 PolarHBondContact O-N 3.49Å; H81-Q84 PolarHBondContact O-N 2.92Å; V82-Q84 VanDerWaalsContact C-N 3.33Å; Q84-V86 VanDerWaalsContact C-N 3.34Å; Q84-V86 PolarHBondContact O-N 3.14Å; Q84-L87 WeakPolarHBondContact O-CB 3.38Å; Q84-L87 PolarHBondContact O-N 3.02Å; Q84-V88 WeakPolarHBondContact O-CG2 3.5Å; Q84-V88 PolarHBondContact O-N 2.85Å; Q84-V88 VanDerWaalsContact O-N 3.1Å
85Q82.4Confident81.4Confident27 Ų2761.6 Ų61.613%0.12633%0.333CS..Hα-helixtrans-63.3-41.8177.3-67.9178.4-29.600111.9V40 T43 H81 V82 V83 L87 V88 W89V40-Q85 VanDerWaalsContact CA-OE1 3.31Å; V40-Q85 PolarHBondContact O-NE2 3.45Å; V40-Q85 VanDerWaalsContact O-NE2 3.09Å; V40-Q85 PolarHBondContact O-OE1 2.94Å; T43-Q85 HydrophobicContact CG2-CB 3.84Å; T43-Q85 HydrophobicContact CG2-CG 3.81Å; H81-Q85 PolarHBondContact CE1-NE2 3.16Å; H81-Q85 WeakPolarHBondContact O-CG 3.44Å; H81-Q85 PolarHBondContact O-N 3.48Å; H81-Q85 VanDerWaalsContact O-N 3.13Å; V82-Q85 PolarHBondContact O-N 3.34Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 3.17Å; Q85-L87 VanDerWaalsContact C-N 3.29Å; Q85-L87 PolarHBondContact O-N 3.08Å; Q85-V88 WeakPolarHBondContact O-CB 3.4Å; Q85-V88 PolarHBondContact O-N 3.26Å; Q85-W89 VanDerWaalsContact O-CD1 3.26Å; Q85-W89 PolarHBondContact O-N 3.06Å
86V82.9Confident81.5Confident0 Ų063.8 Ų63.80%034%0.338CS..Hα-helixtrans-63.3-35.4174.6164.10000111.9F35 L69 F72 I73 V82 V83 Q84 V88 W89 L90F35-V86 HydrophobicContact CE1-CG2 4.37Å; L69-V86 HydrophobicContact CB-CG1 4.24Å; L69-V86 HydrophobicContact CD2-CB 4.39Å; L69-V86 HydrophobicContact CD2-CG1 3.59Å; L69-V86 HydrophobicContact CD2-CG2 4.39Å; F72-V86 HydrophobicContact CD1-CB 4.12Å; F72-V86 HydrophobicContact CD1-CG1 4.08Å; F72-V86 HydrophobicContact CD1-CG2 3.67Å; F72-V86 HydrophobicContact CE1-CB 4.43Å; F72-V86 HydrophobicContact CE1-CG2 3.78Å; F72-V86 HydrophobicContact CG-CG2 4.4Å; I73-V86 HydrophobicContact CD1-CG1 3.89Å; I73-V86 HydrophobicContact CG1-CG1 3.73Å; V82-V86 PolarHBondContact O-N 3.22Å; V82-V86 VanDerWaalsContact O-N 3.08Å; V83-V86 PolarHBondContact O-N 2.65Å; Q84-V86 VanDerWaalsContact C-N 3.34Å; Q84-V86 PolarHBondContact O-N 3.14Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 3.48Å; V86-W89 WeakPolarHBondContact O-CB 3.15Å; V86-W89 PolarHBondContact O-N 3Å; V86-L90 PolarHBondContact O-N 2.87Å
87L85.9Confident82Confident80 Ų8063.3 Ų63.342%0.41932%0.323SS..Hα-helixtrans-64.5-35.5173.5-73.4169.6000112.4I73 V83 Q84 Q85 W89 L90 D91I73-L87 HydrophobicContact CD1-CD2 3.63Å; I73-L87 HydrophobicContact CD1-CG 4.18Å; V83-L87 HydrophobicContact CG1-CD1 4.21Å; V83-L87 HydrophobicContact CG1-CG 4.49Å; V83-L87 WeakPolarHBondContact O-CG 3.34Å; V83-L87 PolarHBondContact O-N 3.48Å; Q84-L87 WeakPolarHBondContact O-CB 3.38Å; Q84-L87 PolarHBondContact O-N 3.02Å; Q85-L87 VanDerWaalsContact C-N 3.29Å; Q85-L87 PolarHBondContact O-N 3.08Å; L87-W89 VanDerWaalsContact C-N 3.26Å; L87-W89 PolarHBondContact O-N 2.82Å; L87-L90 HydrophobicContact CD2-CD1 4.49Å; L87-L90 PolarHBondContact O-N 3.44Å; L87-D91 VanDerWaalsContact O-CB 3.3Å; L87-D91 WeakPolarHBondContact O-CB 3.22Å; L87-D91 PolarHBondContact O-N 3.07Å
88V85.2Confident82.1Confident66 Ų6659 Ų5940%0.430%0.304SS..Hα-helixtrans-59.9-37.8173.7176.30000111.3I48 Q84 Q85 V86 Y92I48-V88 HydrophobicContact CD1-CG1 4Å; Q84-V88 WeakPolarHBondContact O-CG2 3.5Å; Q84-V88 PolarHBondContact O-N 2.85Å; Q84-V88 VanDerWaalsContact O-N 3.1Å; Q85-V88 WeakPolarHBondContact O-CB 3.4Å; Q85-V88 PolarHBondContact O-N 3.26Å; V86-V88 VanDerWaalsContact C-N 3.33Å; V86-V88 PolarHBondContact O-N 3.48Å; V88-Y92 WeakPolarHBondContact O-CB 3.48Å; V88-Y92 PolarHBondContact O-N 3Å
89W85.2Confident82.2Confident0 Ų061.7 Ų61.70%033%0.325CS..Hα-helixtrans-65.1-44.5174.7-76.490000112.7F39 W47 I48 Q51 V52 F65 L69 Q85 V86 L87 C93F39-W89 HydrophobicContact CD1-CD2 4.14Å; F39-W89 AromaticContact CD1-CE2 3.78Å; F39-W89 HydrophobicContact CD1-CE3 4.29Å; F39-W89 AromaticContact CD1-CH2 3.77Å; F39-W89 HydrophobicContact CD1-CH2 3.77Å; F39-W89 AromaticContact CD1-CZ2 3.66Å; F39-W89 HydrophobicContact CD1-CZ2 3.66Å; F39-W89 HydrophobicContact CD1-CZ3 4.08Å; F39-W89 AromaticContact CE1-CH2 3.97Å; F39-W89 HydrophobicContact CE1-CH2 3.97Å; F39-W89 HydrophobicContact CE1-CZ2 4.33Å; F39-W89 HydrophobicContact CE1-CZ3 4.08Å; F39-W89 PolarHBondContact O-NE1 3Å; W47-W89 HydrophobicContact CD2-CH2 4.36Å; W47-W89 AromaticContact CE3-CH2 3.38Å; W47-W89 HydrophobicContact CE3-CH2 3.38Å; W47-W89 AromaticContact CE3-CZ2 3.35Å; W47-W89 HydrophobicContact CE3-CZ2 3.35Å; W47-W89 HydrophobicContact CH2-CH2 4.01Å; W47-W89 HydrophobicContact CH2-CZ2 4.18Å; W47-W89 AromaticContact CZ3-CH2 3.23Å; W47-W89 HydrophobicContact CZ3-CH2 3.23Å; W47-W89 AromaticContact CZ3-CZ2 3.1Å; W47-W89 HydrophobicContact CZ3-CZ2 3.1Å; I48-W89 HydrophobicContact CB-CE3 4.38Å; I48-W89 HydrophobicContact CB-CH2 4.1Å; I48-W89 HydrophobicContact CB-CZ2 4.33Å; I48-W89 HydrophobicContact CB-CZ3 4.13Å; I48-W89 HydrophobicContact CD1-CD2 4.48Å; I48-W89 HydrophobicContact CD1-CZ2 4.38Å; I48-W89 HydrophobicContact CG1-CD2 4.04Å; I48-W89 HydrophobicContact CG1-CE3 4.19Å; I48-W89 HydrophobicContact CG1-CH2 3.71Å; I48-W89 HydrophobicContact CG1-CZ2 3.45Å; I48-W89 VanDerWaalsContact CG1-CZ2 3.45Å; I48-W89 HydrophobicContact CG1-CZ3 4.08Å; I48-W89 HydrophobicContact CG2-CD2 4.28Å; I48-W89 HydrophobicContact CG2-CE3 3.82Å; I48-W89 HydrophobicContact CG2-CH2 4.39Å; I48-W89 HydrophobicContact CG2-CZ3 3.93Å; Q51-W89 HydrophobicContact CB-CH2 4.21Å; Q51-W89 HydrophobicContact CB-CZ3 4.11Å; Q51-W89 HydrophobicContact CG-CH2 4.29Å; V52-W89 HydrophobicContact CG2-CE3 4.12Å; V52-W89 HydrophobicContact CG2-CZ3 4.05Å; F65-W89 HydrophobicContact CE1-CE3 4.21Å; F65-W89 HydrophobicContact CZ-CD2 4.19Å; F65-W89 AromaticContact CZ-CE3 3.54Å; F65-W89 HydrophobicContact CZ-CE3 3.54Å; F65-W89 HydrophobicContact CZ-CZ3 4.08Å; L69-W89 HydrophobicContact CD1-CB 4.23Å; L69-W89 HydrophobicContact CD2-CB 4.09Å; Q85-W89 VanDerWaalsContact O-CD1 3.26Å; Q85-W89 PolarHBondContact O-N 3.06Å; V86-W89 WeakPolarHBondContact O-CB 3.15Å; V86-W89 PolarHBondContact O-N 3Å; L87-W89 VanDerWaalsContact C-N 3.26Å; L87-W89 PolarHBondContact O-N 2.82Å; W89-C93 PolarHBondContact O-N 2.87Å; W89-C93 VanDerWaalsContact O-N 3.1Å; W89-C93 PolarHBondContact O-SG 3.06Å
90L86Confident82.3Confident6 Ų657.2 Ų57.23%0.03131%0.308CS..Hα-helixtrans-66.5-43.3178.4-76.7175.8000111.6I66 L69 I73 V86 L87 Y92 C93 L94 L113I66-L90 HydrophobicContact CD1-CD2 3.79Å; I66-L90 HydrophobicContact CG2-CD2 4.31Å; L69-L90 HydrophobicContact CB-CD1 4.3Å; L69-L90 HydrophobicContact CB-CD2 3.84Å; L69-L90 HydrophobicContact CB-CG 4.03Å; L69-L90 HydrophobicContact CD1-CD2 3.69Å; L69-L90 HydrophobicContact CD1-CG 4.02Å; L69-L90 HydrophobicContact CG-CD2 4.42Å; I73-L90 HydrophobicContact CD1-CD1 3.3Å; V86-L90 PolarHBondContact O-N 2.87Å; L87-L90 HydrophobicContact CD2-CD1 4.49Å; L87-L90 PolarHBondContact O-N 3.44Å; L90-Y92 PolarHBondContact O-N 3.36Å; L90-C93 WeakPolarHBondContact O-CB 3.32Å; L90-C93 PolarHBondContact O-N 3.06Å; L90-L94 WeakPolarHBondContact O-CG 3.15Å; L90-L94 PolarHBondContact O-N 3.42Å; L90-L113 HydrophobicContact CD1-CD2 3.79Å
91D86.8Confident82.4Confident82 Ų8252.9 Ų52.944%0.43928%0.279SS..Hα-helixtrans-58.5-48176.9-177.751.3000111L87 C93 L94 Q95L87-D91 VanDerWaalsContact O-CB 3.3Å; L87-D91 WeakPolarHBondContact O-CB 3.22Å; L87-D91 PolarHBondContact O-N 3.07Å; D91-C93 VanDerWaalsContact C-N 3.33Å; D91-C93 PolarHBondContact O-N 2.82Å; D91-L94 PolarHBondContact O-N 3.44Å; D91-L94 VanDerWaalsContact O-N 3.16Å; D91-Q95 WeakPolarHBondContact O-CG 3.25Å; D91-Q95 PolarHBondContact O-N 2.86Å; D91-Q95 PolarHBondContact OD1-NE2 2.96Å; D91-Q95 PolarHBondContact OD2-NE2 3.5Å
92Y85.5Confident82.3Confident21 Ų2155 Ų558%0.08229%0.29CS..Hα-helixtrans-57.6-44.2174.7-174.1-84.1000112.4I48 K49 V52 V88 L90 L94 H96I48-Y92 HydrophobicContact CG2-CD1 3.65Å; I48-Y92 HydrophobicContact CG2-CD2 4.03Å; I48-Y92 HydrophobicContact CG2-CE1 4.26Å; I48-Y92 HydrophobicContact CG2-CG 3.55Å; K49-Y92 WeakPolarHBondContact CA-OH 3.18Å; K49-Y92 HydrophobicContact CB-CE2 4.35Å; K49-Y92 VanDerWaalsContact CB-OH 3.25Å; K49-Y92 WeakPolarHBondContact CB-OH 3.41Å; K49-Y92 WeakPolarHBondContact CG-OH 3.25Å; V52-Y92 HydrophobicContact CB-CD1 4.15Å; V52-Y92 HydrophobicContact CB-CE1 3.97Å; V52-Y92 HydrophobicContact CG1-CD1 4.18Å; V52-Y92 HydrophobicContact CG1-CE1 4.09Å; V52-Y92 HydrophobicContact CG2-CD1 3.97Å; V52-Y92 HydrophobicContact CG2-CE1 4.26Å; V88-Y92 WeakPolarHBondContact O-CB 3.48Å; V88-Y92 PolarHBondContact O-N 3Å; L90-Y92 PolarHBondContact O-N 3.36Å; Y92-L94 VanDerWaalsContact C-N 3.35Å; Y92-L94 PolarHBondContact O-N 3.44Å; Y92-H96 AromaticContact CD2-CD2 3.37Å; Y92-H96 WeakPolarHBondContact CD2-CD2 3.28Å; Y92-H96 AromaticContact CD2-NE2 3.72Å; Y92-H96 HydrophobicContact CE1-CB 4.25Å; Y92-H96 AromaticContact CE1-CD2 3.82Å; Y92-H96 AromaticContact CE2-CD2 3.17Å; Y92-H96 WeakPolarHBondContact CE2-CD2 3.22Å; Y92-H96 AromaticContact CE2-NE2 3.4Å; Y92-H96 WeakPolarHBondContact CE2-NE2 3.36Å; Y92-H96 AromaticContact CG-CD2 3.78Å; Y92-H96 AromaticContact CZ-CD2 3.38Å; Y92-H96 AromaticContact CZ-CG 3.94Å; Y92-H96 AromaticContact CZ-NE2 3.98Å; Y92-H96 PolarHBondContact O-CD2 3.47Å; Y92-H96 PolarHBondContact O-N 3.22Å
93C85.8Confident82.4Confident1 Ų154.9 Ų54.91%0.00729%0.289CS..Hα-helixtrans-62.6-40.9177.7-68.50000112.4I66 W89 L90 D91 H97 M101I66-C93 HydrophobicContact CD1-CB 4.18Å; W89-C93 PolarHBondContact O-N 2.87Å; W89-C93 VanDerWaalsContact O-N 3.1Å; W89-C93 PolarHBondContact O-SG 3.06Å; L90-C93 WeakPolarHBondContact O-CB 3.32Å; L90-C93 PolarHBondContact O-N 3.06Å; D91-C93 VanDerWaalsContact C-N 3.33Å; D91-C93 PolarHBondContact O-N 2.82Å; C93-H97 CarbonylContact O-C 3.59Å; C93-H97 WeakPolarHBondContact O-CA 3.43Å; C93-H97 WeakPolarHBondContact O-CB 3.23Å; C93-H97 PolarHBondContact O-N 3.36Å; C93-M101 HydrophobicContact CB-CE 4.46Å; C93-M101 HydrophobicContact CB-SD 4.2Å
94L84.7Confident82.1Confident76 Ų7658.4 Ų58.440%0.39831%0.312SS..Hα-helixtrans-69.5-40.4-179.5-72.5169.9000112.1L90 D91 Y92 S98 M101 L110L90-L94 WeakPolarHBondContact O-CG 3.15Å; L90-L94 PolarHBondContact O-N 3.42Å; D91-L94 PolarHBondContact O-N 3.44Å; D91-L94 VanDerWaalsContact O-N 3.16Å; Y92-L94 VanDerWaalsContact C-N 3.35Å; Y92-L94 PolarHBondContact O-N 3.44Å; L94-S98 WeakPolarHBondContact O-CB 3.43Å; L94-S98 PolarHBondContact O-OG 3.32Å; L94-M101 HydrophobicContact CD2-CB 4.26Å; L94-M101 HydrophobicContact CD2-CG 4.12Å; L94-L110 HydrophobicContact CD2-CD1 4.37Å
95Q84.6Confident82Confident119 Ų11954 Ų5456%0.55630%0.301SS*.Hα-helixtrans-73.9-42.9-179.1-68.3-177.623.800113D91D91-Q95 WeakPolarHBondContact O-CG 3.25Å; D91-Q95 PolarHBondContact O-N 2.86Å; D91-Q95 PolarHBondContact OD1-NE2 2.96Å; D91-Q95 PolarHBondContact OD2-NE2 3.5Å
96H82.2Confident82Confident99 Ų9952.7 Ų52.746%0.45830%0.295SS..Hα-helixtrans-96.2-19.5-172.4-65.7-67.7000114.6Y92Y92-H96 AromaticContact CD2-CD2 3.37Å; Y92-H96 WeakPolarHBondContact CD2-CD2 3.28Å; Y92-H96 AromaticContact CD2-NE2 3.72Å; Y92-H96 HydrophobicContact CE1-CB 4.25Å; Y92-H96 AromaticContact CE1-CD2 3.82Å; Y92-H96 AromaticContact CE2-CD2 3.17Å; Y92-H96 WeakPolarHBondContact CE2-CD2 3.22Å; Y92-H96 AromaticContact CE2-NE2 3.4Å; Y92-H96 WeakPolarHBondContact CE2-NE2 3.36Å; Y92-H96 AromaticContact CG-CD2 3.78Å; Y92-H96 AromaticContact CZ-CD2 3.38Å; Y92-H96 AromaticContact CZ-CG 3.94Å; Y92-H96 AromaticContact CZ-NE2 3.98Å; Y92-H96 PolarHBondContact O-CD2 3.47Å; Y92-H96 PolarHBondContact O-N 3.22Å
97H82.1Confident82Confident37 Ų3756.9 Ų56.917%0.17132%0.315CS..  trans-133.137.3-174.4-60-70000112.9V52 V56 C93 T99 S100 M101V52-H97 WeakPolarHBondContact CG1-CD2 3.41Å; V56-H97 HydrophobicContact CG2-CB 4.12Å; C93-H97 CarbonylContact O-C 3.59Å; C93-H97 WeakPolarHBondContact O-CA 3.43Å; C93-H97 WeakPolarHBondContact O-CB 3.23Å; C93-H97 PolarHBondContact O-N 3.36Å; H97-T99 PolarHBondContact O-N 2.84Å; H97-T99 VanDerWaalsContact O-N 3.14Å; H97-S100 PolarHBondContact O-N 2.88Å; H97-M101 WeakPolarHBondContact O-CG 3.23Å; H97-M101 PolarHBondContact O-N 3.13Å; H97-M101 VanDerWaalsContact O-N 3.08Å
98S78.6Confident82.1Confident56 Ų5660.4 Ų60.439%0.39233%0.327SS..Hα-helixtrans-53.3-38.5-177-35.40000113L94 S100 M101 Q102L94-S98 WeakPolarHBondContact O-CB 3.43Å; L94-S98 PolarHBondContact O-OG 3.32Å; S98-S100 VanDerWaalsContact C-N 3.35Å; S98-S100 PolarHBondContact O-N 3.09Å; S98-M101 WeakPolarHBondContact O-CB 3.27Å; S98-M101 PolarHBondContact O-N 3.4Å; S98-Q102 WeakPolarHBondContact O-CG 3.38Å; S98-Q102 PolarHBondContact O-N 3.21Å
99T76.9Confident82Confident119 Ų11957.8 Ų57.873%0.7331%0.311SS*.Hα-helixtrans-61.9-40.4177.5-46.90000112.5H97 M101 Q102H97-T99 PolarHBondContact O-N 2.84Å; H97-T99 VanDerWaalsContact O-N 3.14Å; T99-M101 VanDerWaalsContact C-N 3.35Å; T99-Q102 PolarHBondContact O-N 3.08Å
100S78.1Confident82Confident35 Ų3558.6 Ų58.625%0.24532%0.315CS..Hα-helixtrans-70.5-35.1176.4-57.70000111.2H97 S98 Q102 T103H97-S100 PolarHBondContact O-N 2.88Å; S98-S100 VanDerWaalsContact C-N 3.35Å; S98-S100 PolarHBondContact O-N 3.09Å; S100-Q102 VanDerWaalsContact C-N 3.31Å; S100-Q102 PolarHBondContact O-N 3.33Å; S100-T103 WeakPolarHBondContact O-CG2 3.41Å; S100-T103 PolarHBondContact O-N 3.29Å; S100-T103 PolarHBondContact O-OG1 2.99Å
101M78Confident82.1Confident4 Ų465.4 Ų65.42%0.0234%0.344CS..Hα-helixtrans-68.5-25.4177.3-64.2-64.1107.600113.5L62 I66 C93 L94 H97 S98 T99 T103 I106 Q107L62-M101 HydrophobicContact CD1-CE 3.63Å; L62-M101 HydrophobicContact CD2-CE 3.49Å; L62-M101 VanDerWaalsContact CD2-CE 3.49Å; L62-M101 HydrophobicContact CG-CE 3.63Å; I66-M101 HydrophobicContact CD1-CE 4.04Å; I66-M101 HydrophobicContact CD1-SD 3.79Å; I66-M101 HydrophobicContact CG1-CE 3.94Å; I66-M101 HydrophobicContact CG1-SD 3.96Å; C93-M101 HydrophobicContact CB-CE 4.46Å; C93-M101 HydrophobicContact CB-SD 4.2Å; L94-M101 HydrophobicContact CD2-CB 4.26Å; L94-M101 HydrophobicContact CD2-CG 4.12Å; H97-M101 WeakPolarHBondContact O-CG 3.23Å; H97-M101 PolarHBondContact O-N 3.13Å; H97-M101 VanDerWaalsContact O-N 3.08Å; S98-M101 WeakPolarHBondContact O-CB 3.27Å; S98-M101 PolarHBondContact O-N 3.4Å; T99-M101 VanDerWaalsContact C-N 3.35Å; M101-T103 PolarHBondContact O-N 3.16Å; M101-I106 HydrophobicContact CE-CD1 3.87Å; M101-I106 HydrophobicContact CE-CG2 4.47Å; M101-I106 HydrophobicContact SD-CG2 3.94Å; M101-Q107 PolarHBondContact O-NE2 3.23Å
102Q75.7Confident82.2Confident142 Ų14265.7 Ų65.766%0.66435%0.346SS*.THydrogen-bonded Turntrans-73-2.2175.8-73.8178.417.500114.1S98 T99 S100S98-Q102 WeakPolarHBondContact O-CG 3.38Å; S98-Q102 PolarHBondContact O-N 3.21Å; T99-Q102 PolarHBondContact O-N 3.08Å; S100-Q102 VanDerWaalsContact C-N 3.31Å; S100-Q102 PolarHBondContact O-N 3.33Å
103T79.4Confident82.3Confident27 Ų2766 Ų6617%0.16635%0.349CS..SBendtrans-65.8136.6176.757.10000111.2S100 M101 G105 I106 Q107S100-T103 WeakPolarHBondContact O-CG2 3.41Å; S100-T103 PolarHBondContact O-N 3.29Å; S100-T103 PolarHBondContact O-OG1 2.99Å; M101-T103 PolarHBondContact O-N 3.16Å; T103-G105 PolarHBondContact O-N 2.91Å; T103-I106 PolarHBondContact O-N 3.47Å; T103-I106 WeakPolarHBondContact OG1-CD1 3.42Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.49Å; T103-Q107 PolarHBondContact O-N 2.95Å; T103-Q107 VanDerWaalsContact O-N 3.14Å
104P76.4Confident82.4Confident103 Ų10369 Ų6967%0.66937%0.37SS*.Hα-helixtrans-60.7-26.7-17121.7-34000113.7
105G79.3Confident82.5Confident34 Ų3468.2 Ų68.235%0.35137%0.37SS..Hα-helixtrans-63.9-43.8173.600000112.5F63 T103 P109F63-G105 WeakPolarHBondContact CE2-O 3.25Å; T103-G105 PolarHBondContact O-N 2.91Å; G105-P109 WeakPolarHBondContact O-CD 3.15Å
106I81.9Confident82.7Confident0 Ų065.1 Ų65.10%035%0.353CS..Hα-helixtrans-76.7-27.5-178.6-60.3-178.2000111.5L62 F63 I66 M101 T103 K108 P109 L110L62-I106 HydrophobicContact CD2-CD1 3.94Å; L62-I106 HydrophobicContact CG-CD1 3.95Å; F63-I106 HydrophobicContact CB-CG1 4.28Å; F63-I106 HydrophobicContact CD2-CG1 4.16Å; I66-I106 HydrophobicContact CB-CG2 4.19Å; I66-I106 HydrophobicContact CG1-CG2 4.14Å; I66-I106 HydrophobicContact CG2-CG2 3.85Å; M101-I106 HydrophobicContact CE-CD1 3.87Å; M101-I106 HydrophobicContact CE-CG2 4.47Å; M101-I106 HydrophobicContact SD-CG2 3.94Å; T103-I106 PolarHBondContact O-N 3.47Å; T103-I106 WeakPolarHBondContact OG1-CD1 3.42Å; T103-I106 WeakPolarHBondContact OG1-CG1 3.49Å; I106-K108 PolarHBondContact O-N 3.41Å; I106-P109 WeakPolarHBondContact O-CD 3.3Å; I106-P109 VanDerWaalsContact O-CG 3.23Å; I106-P109 WeakPolarHBondContact O-CG 3.28Å; I106-L110 HydrophobicContact CG2-CD1 3.83Å; I106-L110 HydrophobicContact CG2-CG 4.18Å; I106-L110 WeakPolarHBondContact O-CG 3.31Å; I106-L110 PolarHBondContact O-N 3.47Å
107Q84.2Confident83Confident88 Ų8867.2 Ų67.241%0.41136%0.358SS..Hα-helixtrans-62-29.4176.4-69.3-64.6-47.900113.4M101 T103 K111M101-Q107 PolarHBondContact O-NE2 3.23Å; T103-Q107 PolarHBondContact O-N 2.95Å; T103-Q107 VanDerWaalsContact O-N 3.14Å; Q107-K111 VanDerWaalsContact O-CB 3.28Å; Q107-K111 WeakPolarHBondContact O-CB 3.38Å; Q107-K111 PolarHBondContact O-N 3.2Å
108K87.4Confident83.3Confident154 Ų15473.3 Ų73.367%0.6738%0.381SS*.Hα-helixtrans-64.2-56.8177.4-175.3-177.6179.8-173.60113.1I106 L110 K111 N112I106-K108 PolarHBondContact O-N 3.41Å; K108-L110 VanDerWaalsContact C-N 3.31Å; K108-L110 PolarHBondContact O-N 3.1Å; K108-K111 PolarHBondContact O-N 3.19Å; K108-N112 PolarHBondContact O-N 3.27Å
109P83.5Confident83.8Confident10 Ų1076.3 Ų76.37%0.06539%0.389CS..Hα-helixtrans-62.3-36.9176.319.9-29.5000112.5F63 I66 T70 G105 I106 K111 N112 L113F63-P109 HydrophobicContact CE2-CG 4.3Å; I66-P109 HydrophobicContact CG2-CG 4.4Å; T70-P109 HydrophobicContact CG2-CB 4.06Å; T70-P109 VanDerWaalsContact OG1-CB 3.25Å; T70-P109 WeakPolarHBondContact OG1-CB 3.35Å; G105-P109 WeakPolarHBondContact O-CD 3.15Å; I106-P109 WeakPolarHBondContact O-CD 3.3Å; I106-P109 VanDerWaalsContact O-CG 3.23Å; I106-P109 WeakPolarHBondContact O-CG 3.28Å; P109-K111 VanDerWaalsContact C-N 3.35Å; P109-K111 PolarHBondContact O-N 2.87Å; P109-N112 PolarHBondContact O-N 2.88Å; P109-L113 PolarHBondContact O-N 2.79Å
110L85.5Confident84.2Confident18 Ų1874.1 Ų74.19%0.09437%0.371CS..Hα-helixtrans-63.4-38.9175-69.8176.7000112.3I66 T70 L94 I106 K108 N112 L113 C114I66-L110 HydrophobicContact CG2-CD2 4.2Å; I66-L110 HydrophobicContact CG2-CG 4.39Å; T70-L110 HydrophobicContact CG2-CD2 4.41Å; L94-L110 HydrophobicContact CD2-CD1 4.37Å; I106-L110 HydrophobicContact CG2-CD1 3.83Å; I106-L110 HydrophobicContact CG2-CG 4.18Å; I106-L110 WeakPolarHBondContact O-CG 3.31Å; I106-L110 PolarHBondContact O-N 3.47Å; K108-L110 VanDerWaalsContact C-N 3.31Å; K108-L110 PolarHBondContact O-N 3.1Å; L110-N112 VanDerWaalsContact C-N 3.35Å; L110-N112 PolarHBondContact O-N 2.81Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.09Å; L110-C114 PolarHBondContact O-N 2.87Å; L110-C114 PolarHBondContact O-SG 2.77Å
111K88.2Confident84.6Confident148 Ų14874.6 Ų74.664%0.64337%0.374SS*.Hα-helixtrans-62.4-42.7175.6-174.5179178.3-177.50111.6Q107 K108 P109 L113 C114 S115Q107-K111 VanDerWaalsContact O-CB 3.28Å; Q107-K111 WeakPolarHBondContact O-CB 3.38Å; Q107-K111 PolarHBondContact O-N 3.2Å; K108-K111 PolarHBondContact O-N 3.19Å; P109-K111 VanDerWaalsContact C-N 3.35Å; P109-K111 PolarHBondContact O-N 2.87Å; K111-L113 VanDerWaalsContact C-N 3.32Å; K111-L113 PolarHBondContact O-N 2.98Å; K111-C114 PolarHBondContact O-N 3.09Å; K111-S115 PolarHBondContact O-N 3.24Å; K111-S115 PolarHBondContact O-OG 3.23Å
112N87.5Confident84.9Confident89 Ų8980.5 Ų80.548%0.47640%0.402SS..Hα-helixtrans-61.8-42.1175.3-70.61.5000111.3K108 P109 L110 S115 Y116K108-N112 PolarHBondContact O-N 3.27Å; P109-N112 PolarHBondContact O-N 2.88Å; L110-N112 VanDerWaalsContact C-N 3.35Å; L110-N112 PolarHBondContact O-N 2.81Å; N112-S115 PolarHBondContact O-N 3.38Å; N112-Y116 WeakPolarHBondContact O-CB 3.47Å; N112-Y116 PolarHBondContact O-N 2.86Å
113L87.7Confident85.5Confident26 Ų2677.7 Ų77.714%0.13639%0.39CS..Hα-helixtrans-61.4-43.1174.3179.968.1000111.8T70 I73 V74 L90 P109 L110 K111 Y116 Y117T70-L113 HydrophobicContact CG2-CB 4.08Å; T70-L113 HydrophobicContact CG2-CD2 4.13Å; I73-L113 HydrophobicContact CB-CD1 3.89Å; I73-L113 HydrophobicContact CD1-CD1 3.85Å; I73-L113 HydrophobicContact CD1-CD2 4.37Å; I73-L113 HydrophobicContact CG2-CD1 3.62Å; V74-L113 HydrophobicContact CG2-CD1 4.38Å; L90-L113 HydrophobicContact CD1-CD2 3.79Å; P109-L113 PolarHBondContact O-N 2.79Å; L110-L113 WeakPolarHBondContact O-CB 3.49Å; L110-L113 PolarHBondContact O-N 3.09Å; K111-L113 VanDerWaalsContact C-N 3.32Å; K111-L113 PolarHBondContact O-N 2.98Å; L113-Y116 PolarHBondContact O-N 3.05Å; L113-Y117 WeakPolarHBondContact O-CB 3.44Å; L113-Y117 PolarHBondContact O-N 3.2Å
114C88Confident85.9Confident66 Ų6678.1 Ų78.145%0.44640%0.4SS..Hα-helixtrans-62.9-43.9177-68.60000111.7L110 K111 Y116 Y117 Y118L110-C114 PolarHBondContact O-N 2.87Å; L110-C114 PolarHBondContact O-SG 2.77Å; K111-C114 PolarHBondContact O-N 3.09Å; C114-Y116 VanDerWaalsContact C-N 3.35Å; C114-Y116 PolarHBondContact O-N 3.38Å; C114-Y117 WeakPolarHBondContact O-CB 3.44Å; C114-Y117 PolarHBondContact O-N 2.88Å; C114-Y118 HydrophobicContact CB-CE2 4.46Å; C114-Y118 WeakPolarHBondContact O-CD2 3.49Å; C114-Y118 PolarHBondContact O-N 3.49Å
115S88.4Confident86.7Confident58 Ų5877 Ų7741%0.40639%0.388SS..Hα-helixtrans-58-47.7174.4-70.10000111.5K111 N112 Y117 Y118 E119K111-S115 PolarHBondContact O-N 3.24Å; K111-S115 PolarHBondContact O-OG 3.23Å; N112-S115 PolarHBondContact O-N 3.38Å; S115-Y117 VanDerWaalsContact C-N 3.33Å; S115-Y117 PolarHBondContact O-N 2.95Å; S115-Y118 PolarHBondContact O-N 3.14Å; S115-E119 PolarHBondContact O-N 2.83Å; S115-E119 VanDerWaalsContact O-N 3.09Å
116Y88.1Confident87.3Confident54 Ų5480.4 Ų80.421%0.21240%0.396CS..Hα-helixtrans-59.9-41.4175.2177.5-102000112.5I73 V74 N112 L113 C114 Y118 E119 M120I73-Y116 HydrophobicContact CG2-CD1 4.17Å; I73-Y116 HydrophobicContact CG2-CE1 3.92Å; V74-Y116 HydrophobicContact CG1-CD2 4.33Å; V74-Y116 HydrophobicContact CG2-CD1 4.27Å; V74-Y116 HydrophobicContact CG2-CG 4.01Å; N112-Y116 WeakPolarHBondContact O-CB 3.47Å; N112-Y116 PolarHBondContact O-N 2.86Å; L113-Y116 PolarHBondContact O-N 3.05Å; C114-Y116 VanDerWaalsContact C-N 3.35Å; C114-Y116 PolarHBondContact O-N 3.38Å; Y116-Y118 PolarHBondContact O-N 2.84Å; Y116-E119 PolarHBondContact O-N 3.32Å; Y116-M120 HydrophobicContact CD1-CG 4.18Å; Y116-M120 HydrophobicContact CD2-CE 4.46Å; Y116-M120 HydrophobicContact CD2-CG 4.33Å; Y116-M120 HydrophobicContact CE1-CG 3.72Å; Y116-M120 HydrophobicContact CE2-CE 3.85Å; Y116-M120 HydrophobicContact CE2-CG 3.89Å; Y116-M120 HydrophobicContact CE2-SD 4.2Å; Y116-M120 HydrophobicContact CG-CG 4.46Å; Y116-M120 WeakPolarHBondContact O-CB 3.21Å; Y116-M120 WeakPolarHBondContact O-CG 3.46Å; Y116-M120 PolarHBondContact O-N 3.16Å
117Y88.4Confident87.8Confident143 Ų14387.2 Ų87.256%0.56143%0.426SS*.Hα-helixtrans-60.8-43.2175.1168.5-95.3000112.2L113 C114 S115 M120 S121L113-Y117 WeakPolarHBondContact O-CB 3.44Å; L113-Y117 PolarHBondContact O-N 3.2Å; C114-Y117 WeakPolarHBondContact O-CB 3.44Å; C114-Y117 PolarHBondContact O-N 2.88Å; S115-Y117 VanDerWaalsContact C-N 3.33Å; S115-Y117 PolarHBondContact O-N 2.95Å; Y117-M120 PolarHBondContact O-N 3.29Å; Y117-S121 WeakPolarHBondContact O-CB 3.48Å; Y117-S121 PolarHBondContact O-N 2.98Å
118Y89.1Confident88.2Confident165 Ų16587.7 Ų87.765%0.64743%0.431SS*.Hα-helixtrans-62.7-43.6177.4-76-63.8000111.7C114 S115 Y116 S121 E122C114-Y118 HydrophobicContact CB-CE2 4.46Å; C114-Y118 WeakPolarHBondContact O-CD2 3.49Å; C114-Y118 PolarHBondContact O-N 3.49Å; S115-Y118 PolarHBondContact O-N 3.14Å; Y116-Y118 PolarHBondContact O-N 2.84Å; Y118-S121 PolarHBondContact O-N 3.49Å; Y118-E122 WeakPolarHBondContact O-CB 3.34Å; Y118-E122 PolarHBondContact O-N 3.24Å
119E87.4Confident88.4Confident119 Ų11988.6 Ų88.656%0.55643%0.43SS*.Hα-helixtrans-61.2-46.8175.8-69.8173.5-166.700111.8S115 Y116 S121 E122 M123S115-E119 PolarHBondContact O-N 2.83Å; S115-E119 VanDerWaalsContact O-N 3.09Å; Y116-E119 PolarHBondContact O-N 3.32Å; E119-S121 PolarHBondContact O-N 3.24Å; E119-E122 PolarHBondContact O-N 2.98Å; E119-M123 PolarHBondContact O-N 3.38Å
120M85.4Confident88.8Confident74 Ų7490.9 Ų90.937%0.36545%0.45SS..Hα-helixtrans-67.2-36.2178.3-69.7-61113.900112.6Y116 Y117 M123 G124Y116-M120 HydrophobicContact CD1-CG 4.18Å; Y116-M120 HydrophobicContact CD2-CE 4.46Å; Y116-M120 HydrophobicContact CD2-CG 4.33Å; Y116-M120 HydrophobicContact CE1-CG 3.72Å; Y116-M120 HydrophobicContact CE2-CE 3.85Å; Y116-M120 HydrophobicContact CE2-CG 3.89Å; Y116-M120 HydrophobicContact CE2-SD 4.2Å; Y116-M120 HydrophobicContact CG-CG 4.46Å; Y116-M120 WeakPolarHBondContact O-CB 3.21Å; Y116-M120 WeakPolarHBondContact O-CG 3.46Å; Y116-M120 PolarHBondContact O-N 3.16Å; Y117-M120 PolarHBondContact O-N 3.29Å; M120-M123 HydrophobicContact CE-CE 4.36Å; M120-M123 PolarHBondContact O-N 3.44Å; M120-G124 PolarHBondContact O-N 3.25Å
121S86.6Confident89.1Confident44 Ų4492.9 Ų92.931%0.30847%0.469SS..Hα-helixtrans-66.6-41.5176.1-178.40000111.4Y117 Y118 E119 G124 N125Y117-S121 WeakPolarHBondContact O-CB 3.48Å; Y117-S121 PolarHBondContact O-N 2.98Å; Y118-S121 PolarHBondContact O-N 3.49Å; E119-S121 PolarHBondContact O-N 3.24Å; S121-G124 PolarHBondContact O-N 2.85Å; S121-N125 WeakPolarHBondContact O-CB 3.02Å; S121-N125 VanDerWaalsContact O-CG 3.25Å; S121-N125 PolarHBondContact O-N 3.2Å; S121-N125 PolarHBondContact O-ND2 3.46Å; S121-N125 VanDerWaalsContact O-ND2 3.09Å
122E85.8Confident89.3Confident129 Ų12990.4 Ų90.460%0.60346%0.463SS*.Hα-helixtrans-62.2-44.5174.2-174173.3-175.800111.3Y118 E119 N125 M126Y118-E122 WeakPolarHBondContact O-CB 3.34Å; Y118-E122 PolarHBondContact O-N 3.24Å; E119-E122 PolarHBondContact O-N 2.98Å; E122-N125 WeakPolarHBondContact O-CB 3.13Å; E122-N125 PolarHBondContact O-N 3.45Å; E122-M126 WeakPolarHBondContact O-CG 3.42Å; E122-M126 PolarHBondContact O-N 3.13Å
123M87.5Confident89.3Confident83 Ų8395.4 Ų95.441%0.40948%0.475SS..Hα-helixtrans-61.7-44.9175.6-166.9-179.6-68.500112.2E119 M120 N125 M126 F127E119-M123 PolarHBondContact O-N 3.38Å; M120-M123 HydrophobicContact CE-CE 4.36Å; M120-M123 PolarHBondContact O-N 3.44Å; M123-N125 VanDerWaalsContact C-N 3.31Å; M123-N125 PolarHBondContact O-N 3.44Å; M123-M126 HydrophobicContact CB-CE 4.32Å; M123-M126 HydrophobicContact CG-CE 4.35Å; M123-M126 WeakPolarHBondContact O-CB 3.21Å; M123-M126 PolarHBondContact O-N 2.84Å; M123-M126 VanDerWaalsContact O-N 3.11Å; M123-F127 HydrophobicContact CG-CD2 4.05Å; M123-F127 HydrophobicContact CG-CE2 3.6Å; M123-F127 WeakPolarHBondContact O-CD2 3.41Å; M123-F127 PolarHBondContact O-N 3.26Å; M123-F127 HydrophobicContact SD-CE2 4.04Å
124G88.3Confident89.4Confident36 Ų3696.1 Ų96.137%0.37149%0.489SS..Hα-helixtrans-59.2-40.7174.300000112.6M120 S121 M126 F127 L128M120-G124 PolarHBondContact O-N 3.25Å; S121-G124 PolarHBondContact O-N 2.85Å; G124-M126 VanDerWaalsContact C-N 3.33Å; G124-M126 PolarHBondContact O-N 2.94Å; G124-F127 PolarHBondContact O-N 3.07Å; G124-L128 WeakPolarHBondContact O-CB 3.26Å; G124-L128 PolarHBondContact O-N 3.35Å
125N92.9Very high89.5Confident78 Ų7895.7 Ų95.742%0.41749%0.487SS..Hα-helixtrans-65-35.3174.9-74.9-37.3000112.5S121 E122 M123 R129S121-N125 WeakPolarHBondContact O-CB 3.02Å; S121-N125 VanDerWaalsContact O-CG 3.25Å; S121-N125 PolarHBondContact O-N 3.2Å; S121-N125 PolarHBondContact O-ND2 3.46Å; S121-N125 VanDerWaalsContact O-ND2 3.09Å; E122-N125 WeakPolarHBondContact O-CB 3.13Å; E122-N125 PolarHBondContact O-N 3.45Å; M123-N125 VanDerWaalsContact C-N 3.31Å; M123-N125 PolarHBondContact O-N 3.44Å; N125-R129 WeakPolarHBondContact O-CB 3.44Å; N125-R129 VanDerWaalsContact O-CG 3.26Å; N125-R129 WeakPolarHBondContact O-CG 3.47Å; N125-R129 PolarHBondContact O-N 3.5Å
126M92.2Very high89.3Confident107 Ų10795.7 Ų95.753%0.52749%0.49SS..Hα-helixtrans-64.6-45.8173.5-70.7-169-7400111.5E122 M123 G124 R129 A130E122-M126 WeakPolarHBondContact O-CG 3.42Å; E122-M126 PolarHBondContact O-N 3.13Å; M123-M126 HydrophobicContact CB-CE 4.32Å; M123-M126 HydrophobicContact CG-CE 4.35Å; M123-M126 WeakPolarHBondContact O-CB 3.21Å; M123-M126 PolarHBondContact O-N 2.84Å; M123-M126 VanDerWaalsContact O-N 3.11Å; G124-M126 VanDerWaalsContact C-N 3.33Å; G124-M126 PolarHBondContact O-N 2.94Å; M126-R129 PolarHBondContact O-N 3.49Å; M126-A130 WeakPolarHBondContact O-CB 3.49Å; M126-A130 PolarHBondContact O-N 3.36Å
127F91.5Very high89.2Confident142 Ų14297.7 Ų97.762%0.62350%0.503SS*.Hα-helixtrans-61.4-44175.3-74.6-62.9000112.1M123 G124 R129 A130 A131M123-F127 HydrophobicContact CG-CD2 4.05Å; M123-F127 HydrophobicContact CG-CE2 3.6Å; M123-F127 WeakPolarHBondContact O-CD2 3.41Å; M123-F127 PolarHBondContact O-N 3.26Å; M123-F127 HydrophobicContact SD-CE2 4.04Å; G124-F127 PolarHBondContact O-N 3.07Å; F127-R129 PolarHBondContact O-N 2.94Å; F127-A130 PolarHBondContact O-N 2.96Å; F127-A131 WeakPolarHBondContact O-CB 3.44Å; F127-A131 PolarHBondContact O-N 2.93Å
128L92.5Very high88.8Confident99 Ų9996.5 Ų96.552%0.51850%0.502SS..Hα-helixtrans-60.9-43.9176.7-17863.1000111.8G124 A130 A131 N132G124-L128 WeakPolarHBondContact O-CB 3.26Å; G124-L128 PolarHBondContact O-N 3.35Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A130 PolarHBondContact O-N 3.09Å; L128-A131 PolarHBondContact O-N 2.96Å; L128-N132 WeakPolarHBondContact O-CB 3.44Å; L128-N132 PolarHBondContact O-N 3.23Å; L128-N132 PolarHBondContact O-ND2 3.48Å
129R91.9Very high88.5Confident172 Ų17293 Ų9365%0.64950%0.495SS*.Hα-helixtrans-63.7-39.4175.2-74174.7-174.7-178.33.7112N125 M126 F127 R133N125-R129 WeakPolarHBondContact O-CB 3.44Å; N125-R129 VanDerWaalsContact O-CG 3.26Å; N125-R129 WeakPolarHBondContact O-CG 3.47Å; N125-R129 PolarHBondContact O-N 3.5Å; M126-R129 PolarHBondContact O-N 3.49Å; F127-R129 PolarHBondContact O-N 2.94Å; R129-R133 WeakPolarHBondContact O-CB 3.47Å; R129-R133 VanDerWaalsContact O-CG 3.29Å; R129-R133 WeakPolarHBondContact O-CG 3.37Å; R129-R133 PolarHBondContact O-N 3.34Å
130A92Very high88.1Confident58 Ų5892.4 Ų92.448%0.47949%0.487SS..Hα-helixtrans-65.5-44.2176.300000111.5M126 F127 L128 R133 G134M126-A130 WeakPolarHBondContact O-CB 3.49Å; M126-A130 PolarHBondContact O-N 3.36Å; F127-A130 PolarHBondContact O-N 2.96Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A130 PolarHBondContact O-N 3.09Å; A130-R133 PolarHBondContact O-N 3.19Å; A130-G134 PolarHBondContact O-N 3.41Å
131A91.7Very high87.6Confident60 Ų6090.7 Ų90.750%0.49648%0.483SS..Hα-helixtrans-61.3-46.1175.400000111.6F127 L128 R133 G134 S135F127-A131 WeakPolarHBondContact O-CB 3.44Å; F127-A131 PolarHBondContact O-N 2.93Å; L128-A131 PolarHBondContact O-N 2.96Å; A131-R133 VanDerWaalsContact C-N 3.31Å; A131-R133 PolarHBondContact O-N 3.47Å; A131-G134 WeakPolarHBondContact O-CA 3.43Å; A131-G134 PolarHBondContact O-N 2.95Å; A131-G134 VanDerWaalsContact O-N 3.1Å; A131-S135 PolarHBondContact O-N 2.81Å
132N92.3Very high87.2Confident97 Ų9791.9 Ų91.952%0.51949%0.486SS..Hα-helixtrans-62.5-37.4176.6-71.2-13.5000112.2L128 A136L128-N132 WeakPolarHBondContact O-CB 3.44Å; L128-N132 PolarHBondContact O-N 3.23Å; L128-N132 PolarHBondContact O-ND2 3.48Å; N132-A136 VanDerWaalsContact O-CB 3.25Å; N132-A136 WeakPolarHBondContact O-CB 3.48Å; N132-A136 PolarHBondContact O-N 3.2Å
133R88.7Confident86.5Confident193 Ų19389.4 Ų89.473%0.72848%0.479SS*.Hα-helixtrans-66.2-40.4172.5-75.5174.3-179.5174.40.2111.9R129 A130 A131 A136 M137R129-R133 WeakPolarHBondContact O-CB 3.47Å; R129-R133 VanDerWaalsContact O-CG 3.29Å; R129-R133 WeakPolarHBondContact O-CG 3.37Å; R129-R133 PolarHBondContact O-N 3.34Å; A130-R133 PolarHBondContact O-N 3.19Å; A131-R133 VanDerWaalsContact C-N 3.31Å; A131-R133 PolarHBondContact O-N 3.47Å; R133-A136 PolarHBondContact O-N 3.15Å; R133-M137 WeakPolarHBondContact O-CB 3.47Å; R133-M137 PolarHBondContact O-N 3.13Å
134G89Confident85.4Confident41 Ų4187.2 Ų87.242%0.42347%0.468SS..Hα-helixtrans-59.3-51.6174.400000111.7A130 A131 A136 M137 E138A130-G134 PolarHBondContact O-N 3.41Å; A131-G134 WeakPolarHBondContact O-CA 3.43Å; A131-G134 PolarHBondContact O-N 2.95Å; A131-G134 VanDerWaalsContact O-N 3.1Å; G134-A136 PolarHBondContact O-N 3.3Å; G134-M137 PolarHBondContact O-N 3.17Å; G134-E138 PolarHBondContact O-N 3.4Å
135S89.2Confident84.4Confident58 Ų5893.1 Ų93.141%0.40648%0.483SS..Hα-helixtrans-61.9-41176.61790000112.4A131 M137 E138 N139A131-S135 PolarHBondContact O-N 2.81Å; S135-M137 VanDerWaalsContact C-N 3.34Å; S135-M137 PolarHBondContact O-N 2.94Å; S135-E138 PolarHBondContact O-N 3Å; S135-N139 WeakPolarHBondContact O-CB 3.29Å; S135-N139 VanDerWaalsContact O-CG 3.24Å; S135-N139 PolarHBondContact O-N 3.38Å; S135-N139 PolarHBondContact O-ND2 2.85Å
136A85.6Confident82.9Confident58 Ų5896.9 Ų96.948%0.47950%0.502SS..Hα-helixtrans-63.7-39.1175.300000112.4N132 R133 G134 W140N132-A136 VanDerWaalsContact O-CB 3.25Å; N132-A136 WeakPolarHBondContact O-CB 3.48Å; N132-A136 PolarHBondContact O-N 3.2Å; R133-A136 PolarHBondContact O-N 3.15Å; G134-A136 PolarHBondContact O-N 3.3Å; A136-W140 WeakPolarHBondContact O-CB 3.4Å; A136-W140 PolarHBondContact O-N 2.95Å
137M85.6Confident81.5Confident96 Ų9696.4 Ų96.447%0.47350%0.501SS..Hα-helixtrans-68-40.9176.3-175.265.2178.200111.6R133 G134 S135 W140 S141R133-M137 WeakPolarHBondContact O-CB 3.47Å; R133-M137 PolarHBondContact O-N 3.13Å; G134-M137 PolarHBondContact O-N 3.17Å; S135-M137 VanDerWaalsContact C-N 3.34Å; S135-M137 PolarHBondContact O-N 2.94Å; M137-W140 HydrophobicContact CE-CE3 4.3Å; M137-W140 HydrophobicContact CE-CZ3 4.27Å; M137-W140 PolarHBondContact O-N 3.27Å; M137-W140 HydrophobicContact SD-CE3 4.13Å; M137-S141 WeakPolarHBondContact O-CB 3.36Å; M137-S141 PolarHBondContact O-N 3.09Å
138E80.5Confident79.9Confident118 Ų11892.4 Ų92.455%0.55150%0.5SS*.Hα-helixtrans-60.8-51.1174.2-178.3176.3-164.600111G134 S135 W140 S141 N142G134-E138 PolarHBondContact O-N 3.4Å; S135-E138 PolarHBondContact O-N 3Å; E138-W140 VanDerWaalsContact C-N 3.34Å; E138-W140 PolarHBondContact O-N 3.39Å; E138-S141 PolarHBondContact O-N 3.38Å; E138-S141 VanDerWaalsContact O-N 3.09Å; E138-S141 PolarHBondContact O-OG 3.3Å; E138-N142 PolarHBondContact O-N 3.3Å; E138-N142 PolarHBondContact O-ND2 3.5Å
139N81.8Confident78.3Confident91 Ų9195.2 Ų95.249%0.48751%0.51SS..Hα-helixtrans-58.3-45.4176.5-72.5-21.3000111.6S135 S141 N142 V143S135-N139 WeakPolarHBondContact O-CB 3.29Å; S135-N139 VanDerWaalsContact O-CG 3.24Å; S135-N139 PolarHBondContact O-N 3.38Å; S135-N139 PolarHBondContact O-ND2 2.85Å; N139-S141 VanDerWaalsContact C-N 3.34Å; N139-S141 PolarHBondContact O-N 3.36Å; N139-N142 PolarHBondContact O-N 2.96Å; N139-V143 WeakPolarHBondContact O-CB 3.25Å; N139-V143 VanDerWaalsContact O-CG2 3.27Å; N139-V143 WeakPolarHBondContact O-CG2 3.49Å; N139-V143 PolarHBondContact O-N 3.4Å
140W78.6Confident76.5Confident106 Ų10691 Ų9140%0.40250%0.497SS..Hα-helixtrans-59.2-46174.9-179.382.1000111.1A136 M137 E138 N142 V143 Q144 F150A136-W140 WeakPolarHBondContact O-CB 3.4Å; A136-W140 PolarHBondContact O-N 2.95Å; M137-W140 HydrophobicContact CE-CE3 4.3Å; M137-W140 HydrophobicContact CE-CZ3 4.27Å; M137-W140 PolarHBondContact O-N 3.27Å; M137-W140 HydrophobicContact SD-CE3 4.13Å; E138-W140 VanDerWaalsContact C-N 3.34Å; E138-W140 PolarHBondContact O-N 3.39Å; W140-N142 VanDerWaalsContact C-N 3.34Å; W140-N142 PolarHBondContact O-N 2.99Å; W140-V143 PolarHBondContact O-N 3.08Å; W140-Q144 HydrophobicContact CD2-CG 3.76Å; W140-Q144 HydrophobicContact CE3-CG 3.98Å; W140-Q144 HydrophobicContact CG-CG 4.43Å; W140-Q144 HydrophobicContact CH2-CG 3.81Å; W140-Q144 HydrophobicContact CZ2-CG 3.56Å; W140-Q144 HydrophobicContact CZ3-CG 4.01Å; W140-Q144 VanDerWaalsContact O-CG 3.29Å; W140-Q144 WeakPolarHBondContact O-CG 3.36Å; W140-Q144 PolarHBondContact O-N 2.91Å; W140-F150 AromaticContact CH2-CE1 3.92Å; W140-F150 HydrophobicContact CH2-CE1 3.92Å; W140-F150 HydrophobicContact CH2-CZ 4.2Å; W140-F150 HydrophobicContact CZ2-CE1 4.28Å
141S76.5Confident74.7Confident38 Ų3891.8 Ų91.827%0.26650%0.497SS..Hα-helixtrans-63-38.2179.680.10000112.9M137 E138 N139 Q144 K145M137-S141 WeakPolarHBondContact O-CB 3.36Å; M137-S141 PolarHBondContact O-N 3.09Å; E138-S141 PolarHBondContact O-N 3.38Å; E138-S141 VanDerWaalsContact O-N 3.09Å; E138-S141 PolarHBondContact O-OG 3.3Å; N139-S141 VanDerWaalsContact C-N 3.34Å; N139-S141 PolarHBondContact O-N 3.36Å; S141-Q144 PolarHBondContact O-N 3.26Å; S141-K145 WeakPolarHBondContact O-CG 3.37Å; S141-K145 PolarHBondContact O-N 3.35Å
142N77.1Confident72.8Confident70 Ų7096.2 Ų96.237%0.37451%0.507SS..Hα-helixtrans-69.4-41177.1-71.6-23.8000111.2E138 N139 W140 Q144 K145 L146E138-N142 PolarHBondContact O-N 3.3Å; E138-N142 PolarHBondContact O-ND2 3.5Å; N139-N142 PolarHBondContact O-N 2.96Å; W140-N142 VanDerWaalsContact C-N 3.34Å; W140-N142 PolarHBondContact O-N 2.99Å; N142-Q144 VanDerWaalsContact C-N 3.33Å; N142-Q144 PolarHBondContact O-N 3.19Å; N142-K145 PolarHBondContact O-N 3.2Å; N142-L146 PolarHBondContact O-N 2.92Å
143V70.8Confident71Confident76 Ų76102.8 Ų102.846%0.46153%0.525SS..Hα-helixtrans-62.8-39.3171.9172.70000111.2N139 W140 L146 I147N139-V143 WeakPolarHBondContact O-CB 3.25Å; N139-V143 VanDerWaalsContact O-CG2 3.27Å; N139-V143 WeakPolarHBondContact O-CG2 3.49Å; N139-V143 PolarHBondContact O-N 3.4Å; W140-V143 PolarHBondContact O-N 3.08Å; V143-L146 WeakPolarHBondContact O-CB 3.5Å; V143-L146 PolarHBondContact O-N 3.11Å; V143-I147 HydrophobicContact CG1-CD1 3.61Å; V143-I147 HydrophobicContact CG1-CG1 4.4Å; V143-I147 WeakPolarHBondContact O-CG1 3.42Å; V143-I147 PolarHBondContact O-N 3.41Å; V143-I147 VanDerWaalsContact O-N 3.11Å
144Q65.2Low69.2Low37 Ų3799.3 Ų99.317%0.17352%0.515CS..Hα-helixtrans-65.5-39.5176.8-70.2-48.8-60.900112.7W140 S141 N142 L146 I147 G148 F150W140-Q144 HydrophobicContact CD2-CG 3.76Å; W140-Q144 HydrophobicContact CE3-CG 3.98Å; W140-Q144 HydrophobicContact CG-CG 4.43Å; W140-Q144 HydrophobicContact CH2-CG 3.81Å; W140-Q144 HydrophobicContact CZ2-CG 3.56Å; W140-Q144 HydrophobicContact CZ3-CG 4.01Å; W140-Q144 VanDerWaalsContact O-CG 3.29Å; W140-Q144 WeakPolarHBondContact O-CG 3.36Å; W140-Q144 PolarHBondContact O-N 2.91Å; S141-Q144 PolarHBondContact O-N 3.26Å; N142-Q144 VanDerWaalsContact C-N 3.33Å; N142-Q144 PolarHBondContact O-N 3.19Å; Q144-L146 PolarHBondContact O-N 3.4Å; Q144-I147 PolarHBondContact O-N 2.89Å; Q144-G148 PolarHBondContact O-N 2.93Å; Q144-F150 HydrophobicContact CB-CE2 4.18Å; Q144-F150 HydrophobicContact CB-CZ 3.83Å; Q144-F150 HydrophobicContact CG-CE1 4.23Å; Q144-F150 HydrophobicContact CG-CZ 3.84Å
145K67.2Low67.2Low161 Ų161103.8 Ų103.870%0.752%0.52SS*.Hα-helixtrans-59-36.3173.5-71.9171.6-172.7166.50111.5S141 N142S141-K145 WeakPolarHBondContact O-CG 3.37Å; S141-K145 PolarHBondContact O-N 3.35Å; N142-K145 PolarHBondContact O-N 3.2Å
146L61.3Low65.1Low156 Ų156109.2 Ų109.282%0.81753%0.533SS*.Hα-helixtrans-73.1-34.9179.8-157.578.3000113N142 V143 Q144 G148N142-L146 PolarHBondContact O-N 2.92Å; V143-L146 WeakPolarHBondContact O-CB 3.5Å; V143-L146 PolarHBondContact O-N 3.11Å; Q144-L146 PolarHBondContact O-N 3.4Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-G148 PolarHBondContact O-N 3.03Å
147I62.9Low63.2Low97 Ų97112.4 Ų112.450%0.49755%0.549SS..Hα-helixtrans-79.1-15.9-174.6-66.6168.8000112.1V143 Q144 H149V143-I147 HydrophobicContact CG1-CD1 3.61Å; V143-I147 HydrophobicContact CG1-CG1 4.4Å; V143-I147 WeakPolarHBondContact O-CG1 3.42Å; V143-I147 PolarHBondContact O-N 3.41Å; V143-I147 VanDerWaalsContact O-N 3.11Å; Q144-I147 PolarHBondContact O-N 2.89Å; I147-H149 PolarHBondContact O-N 3.19Å
148G58.3Low61.6Low59 Ų59114 Ų11461%0.60856%0.558SS**  trans61.9-7.6170.400000116.3Q144 L146Q144-G148 PolarHBondContact O-N 2.93Å; L146-G148 VanDerWaalsContact C-N 3.32Å; L146-G148 PolarHBondContact O-N 3.03Å
149H58.2Low60.1Low158 Ų158114.5 Ų114.573%0.73156%0.564SS**  trans-135.297.4-171.9-78.32.2000110.1I147 P151I147-H149 PolarHBondContact O-N 3.19Å; H149-P151 WeakPolarHBondContact O-CD 3.27Å
150F54.3Low58.5Low83 Ų83114.6 Ų114.636%0.36457%0.569SS.*  trans-74.4125.2163.1-87.1-85.8000109.4W140 Q144 H152W140-F150 AromaticContact CH2-CE1 3.92Å; W140-F150 HydrophobicContact CH2-CE1 3.92Å; W140-F150 HydrophobicContact CH2-CZ 4.2Å; W140-F150 HydrophobicContact CZ2-CE1 4.28Å; Q144-F150 HydrophobicContact CB-CE2 4.18Å; Q144-F150 HydrophobicContact CB-CZ 3.83Å; Q144-F150 HydrophobicContact CG-CE1 4.23Å; Q144-F150 HydrophobicContact CG-CZ 3.84Å; F150-H152 PolarHBondContact O-N 3.45Å; F150-H152 VanDerWaalsContact O-N 3.1Å
151P53.6Low57.1Low75 Ų75119 Ų11949%0.48759%0.592SS.*  trans-59.3117.9149.5-8.523.3000106.1H149 R153 F154H149-P151 WeakPolarHBondContact O-CD 3.27Å; P151-R153 PolarHBondContact O-N 2.82Å; P151-F154 HydrophobicContact CB-CD2 3.99Å; P151-F154 HydrophobicContact CB-CE2 4.28Å; P151-F154 HydrophobicContact CG-CD2 3.86Å; P151-F154 HydrophobicContact CG-CE2 4.04Å; P151-F154 PolarHBondContact O-N 3.31Å
152H52.7Low55.8Low152 Ų152121.9 Ų121.970%0.70461%0.607SS**THydrogen-bonded Turntrans-51.1-4.4176.4-97.929.8000115F150 Y155F150-H152 PolarHBondContact O-N 3.45Å; F150-H152 VanDerWaalsContact O-N 3.1Å; H152-Y155 HydrophobicContact CB-CE2 4.29Å; H152-Y155 AromaticContact CE1-CE2 3.89Å; H152-Y155 AromaticContact CG-CE2 3.81Å; H152-Y155 AromaticContact ND1-CE2 3.54Å; H152-Y155 WeakPolarHBondContact O-CD2 3.32Å
153R53.4Low54.6Low235 Ų235128.2 Ų128.289%0.88763%0.632SS**THydrogen-bonded Turntrans-83.5-14.3174.6-82-174.6174.2-174.9-1.5115.1P151P151-R153 PolarHBondContact O-N 2.82Å
154F51Low53.5Low121 Ų121132.8 Ų132.853%0.53165%0.646SS.*  trans-10113.5-179.6-65.8-72.4000114.3P151 Y156P151-F154 HydrophobicContact CB-CD2 3.99Å; P151-F154 HydrophobicContact CB-CE2 4.28Å; P151-F154 HydrophobicContact CG-CD2 3.86Å; P151-F154 HydrophobicContact CG-CE2 4.04Å; P151-F154 PolarHBondContact O-N 3.31Å; F154-Y156 PolarHBondContact O-N 2.96Å
155Y48Very low53.2Low135 Ų135136.7 Ų136.753%0.52967%0.672SS.*  trans-64.192.9154.8-64.7-68.6000106.4H152 P157H152-Y155 HydrophobicContact CB-CE2 4.29Å; H152-Y155 AromaticContact CE1-CE2 3.89Å; H152-Y155 AromaticContact CG-CE2 3.81Å; H152-Y155 AromaticContact ND1-CE2 3.54Å; H152-Y155 WeakPolarHBondContact O-CD2 3.32Å; Y155-P157 WeakPolarHBondContact O-CD 3.2Å
156Y44.9Very low52.4Low171 Ų171139.8 Ų139.867%0.67168%0.68SS**  trans-52.5110.7159.1-79.4-89.4000105.6F154 I158F154-Y156 PolarHBondContact O-N 2.96Å; Y156-I158 PolarHBondContact O-N 3.46Å
157P46.5Very low52.2Low126 Ų126138.6 Ų138.682%0.81867%0.674SS**THydrogen-bonded Turntrans-68.5-0.3174.7-11.328.8000111Y155Y155-P157 WeakPolarHBondContact O-CD 3.2Å
158I50Low52.1Low130 Ų130140 Ų14067%0.66768%0.682SS**THydrogen-bonded Turntrans-132.952.1-168-38.9167.7000107.4Y156 P160Y156-I158 PolarHBondContact O-N 3.46Å; I158-P160 VanDerWaalsContact C-N 3.27Å; I158-P160 WeakPolarHBondContact O-CD 3.29Å
159L50.5Low52Low128 Ų128144.5 Ų144.567%0.6769%0.692SS**  trans-67.6106.1134.7-80.1166.8000103.1K161L159-K161 PolarHBondContact O-N 2.97Å
160P47.5Very low51.6Low92 Ų92145.2 Ų145.260%0.59770%0.696SS**  trans-54.2122.8172.4-2.414.1000104I158 T162I158-P160 VanDerWaalsContact C-N 3.27Å; I158-P160 WeakPolarHBondContact O-CD 3.29Å; P160-T162 PolarHBondContact O-N 3.23Å
161K49.7Very low51.5Low200 Ų200146 Ų14687%0.8771%0.712SS**  trans-57.292.3167.4-70.2-177.3179.4-177.50105.1L159 K163L159-K161 PolarHBondContact O-N 2.97Å; K161-K163 PolarHBondContact O-N 3.17Å
162T49.5Very low51Low98 Ų98149.1 Ų149.160%0.60173%0.725SS**  trans-60.1115.3169.244.70000102.8P160 F164P160-T162 PolarHBondContact O-N 3.23Å; T162-F164 HydrophobicContact CG2-CD2 4.47Å; T162-F164 PolarHBondContact O-N 3.41Å
163K50.8Low50.6Low203 Ų203148.1 Ų148.188%0.88373%0.731SS**  trans-67.37.4176.4-63.4-178-179.5178.60111.8K161 V165K161-K163 PolarHBondContact O-N 3.17Å; K163-V165 PolarHBondContact O-N 2.83Å; K163-V165 VanDerWaalsContact O-N 3.13Å
164F49.2Very low50.1Low172 Ų172142.9 Ų142.975%0.75473%0.725SS**  trans-79.791.4174.4-59-64.6000108T162T162-F164 HydrophobicContact CG2-CD2 4.47Å; T162-F164 PolarHBondContact O-N 3.41Å
165V58.9Low49.6Very low119 Ų119148.1 Ų148.172%0.72174%0.742SS**  trans-74.3116.9157.8178.30000105.4K163 I167K163-V165 PolarHBondContact O-N 2.83Å; K163-V165 VanDerWaalsContact O-N 3.13Å; V165-I167 HydrophobicContact CG1-CG1 4.49Å; V165-I167 PolarHBondContact O-N 3.33Å; V165-I167 VanDerWaalsContact O-N 3.14Å
166Y49.2Very low49.2Very low225 Ų225151.3 Ų151.388%0.88276%0.759SS**  trans-63.5112.4162.2-89.5-94.6000106.4D168Y166-D168 PolarHBondContact O-N 3.35Å
167I57.9Low49.1Very low132 Ų132147.6 Ų147.668%0.67776%0.757SS**  trans-84.4105.5167.6-60.1172000103.7V165 D169V165-I167 HydrophobicContact CG1-CG1 4.49Å; V165-I167 PolarHBondContact O-N 3.33Å; V165-I167 VanDerWaalsContact O-N 3.14Å; I167-D169 PolarHBondContact O-N 2.82Å
168D59.2Low48.7Very low125 Ų125149.3 Ų149.367%0.66876%0.76SS**  trans-69.6107.9168.3-143.3-4.2000105.9Y166 E170Y166-D168 PolarHBondContact O-N 3.35Å; D168-E170 PolarHBondContact O-N 2.89Å
169D56.3Low48.1Very low154 Ų154146.4 Ų146.482%0.82476%0.755SS**THydrogen-bonded Turntrans-65.10.7-174.5-78.2-24.9000112.8I167I167-D169 PolarHBondContact O-N 2.82Å
170E51.6Low47.5Very low174 Ų174146.4 Ų146.481%0.81376%0.763SS**THydrogen-bonded Turntrans-83.6-4.9-179.5-78.5-160.9148.400115.9D168D168-E170 PolarHBondContact O-N 2.89Å
171S51.1Low47.2Very low100 Ų100149.7 Ų149.770%0.69977%0.774SS**SBendtrans-105.198.6-17969.90000114
172N43.4Very low46.3Very low140 Ų140147 Ų14775%0.74977%0.769SS**  trans-30.6132.6170.4-76.4-76.9000114.8T174N172-T174 VanDerWaalsContact C-N 3.33Å; N172-T174 PolarHBondContact O-N 3.01Å
173P44Very low45.7Very low130 Ų130149.7 Ų149.784%0.84478%0.779SS**SBendtrans-78.476.4-174.233.6-36.2000111.4
174T42.1Very low44.7Very low125 Ų125146.8 Ų146.877%0.76777%0.774SS**  trans-139.649.3171.9-15.40000113.1N172N172-T174 VanDerWaalsContact C-N 3.33Å; N172-T174 PolarHBondContact O-N 3.01Å
175R41.4Very low43.9Very low232 Ų232144.3 Ų144.388%0.87578%0.778SS**  trans-15697.6157.5-124.5172.9-174.4179.31.3112.4S177R175-S177 PolarHBondContact O-N 3.42Å; R175-S177 VanDerWaalsContact O-N 3.14Å
176K39.2Very low42.6Very low202 Ų202144 Ų14488%0.87878%0.781SS**  trans-62104.8152.5-66.4175.6177.4179.30106.9
177S42.4Very low41.6Very low92 Ų92141.5 Ų141.564%0.64378%0.777SS**  trans-126.488.2158.875.10000108.9R175 A179R175-S177 PolarHBondContact O-N 3.42Å; R175-S177 VanDerWaalsContact O-N 3.14Å; S177-A179 PolarHBondContact O-N 3.14Å
178D38.3Very low40.2Very low162 Ų162141.9 Ų141.987%0.86678%0.781SS**  trans-69.177.2161.7-61.1-51.9000108.1
179A38.1Very low38.9Very low70 Ų70144.1 Ų144.158%0.57979%0.792SS**  trans-131.4109.5173.200000109S177 L181S177-A179 PolarHBondContact O-N 3.14Å; A179-L181 PolarHBondContact O-N 3.45Å; A179-L181 VanDerWaalsContact O-N 3.1Å
180P38.5Very low37.7Very low127 Ų127145.7 Ų145.783%0.82580%0.795SS**  trans-64.9113.3173.224.6-29.2000108.5N182P180-N182 PolarHBondContact O-N 3.39Å
181L39.8Very low36.7Very low161 Ų161146.5 Ų146.584%0.84380%0.799SS**  trans-62.195.3174.8-76.7163.9000109.1A179 L183A179-L181 PolarHBondContact O-N 3.45Å; A179-L181 VanDerWaalsContact O-N 3.1Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L181-L183 PolarHBondContact O-N 3.47Å
182N32.4Very low35.8Very low143 Ų143148.9 Ų148.977%0.76580%0.804SS**  trans-75.586.1171.9-159.4-4.8000107.9P180 N184P180-N182 PolarHBondContact O-N 3.39Å; N182-N184 VanDerWaalsContact C-N 3.29Å; N182-N184 PolarHBondContact O-N 3.24Å
183L35.1Very low35.3Very low155 Ų155150.4 Ų150.481%0.81281%0.811SS**  trans-7380.5174.1-78.5161000109.2L181L181-L183 VanDerWaalsContact C-N 3.3Å; L181-L183 PolarHBondContact O-N 3.47Å
184N31.1Very low34.8Very low142 Ų142150.2 Ų150.276%0.75980%0.803SS**  trans-15578.1169-84-34.1000109.5N182N182-N184 VanDerWaalsContact C-N 3.29Å; N182-N184 PolarHBondContact O-N 3.24Å
185S31.7Very low34.5Very low120 Ų120151.7 Ų151.784%0.83981%0.805SS**  trans-172.4138.3154.456.40000112.3
186S30.9Very low34.3Very low113 Ų113148.8 Ų148.879%0.7981%0.805SS**  trans96.674.7163-143.90000116.3
187E29.4Very low34.2Very low172 Ų172145.3 Ų145.380%0.80480%0.796SS**  trans-47.6150.8134.4-77.7166.9126.100110.9
188N28.8Very low34Very low140 Ų140148.2 Ų148.275%0.74981%0.805SS**  trans7885.7164.1-49.9-25.4000116.8
189N32.2Very low34Very low172 Ų172147.7 Ų147.792%0.9280%0.797SS**  trans-144.5114.2131.3-101.9-21.2000108.9E191N189-E191 PolarHBondContact O-N 3.49Å
190E30.5Very low34.1Very low187 Ų187153.3 Ų153.387%0.87481%0.809SS**  trans-53.6123.2176.4-74.2167.8132.700111.6N192E190-N192 PolarHBondContact O-N 3.35Å
191E31.2Very low34.2Very low191 Ų191154.7 Ų154.789%0.89381%0.808SS**  trans4.793.2136-63.8174.2173.300115.6N189N189-E191 PolarHBondContact O-N 3.49Å
192N31Very low34.2Very low151 Ų151152 Ų15281%0.80780%0.795SS**  trans-148.273.3158.5-111.1-30.4000107.5E190E190-N192 PolarHBondContact O-N 3.35Å
193L34.3Very low35Very low171 Ų171150.9 Ų150.990%0.89579%0.793SS**  trans-13298.2161.9-96.3163.3000107.7I195L193-I195 PolarHBondContact O-N 3.06Å
194D32.4Very low35.7Very low127 Ų127149.2 Ų149.268%0.67979%0.785SS**  trans-34.5125.5168.1-68.3-55.7000112.7L196D194-L196 PolarHBondContact O-N 3.18Å
195I35.5Very low36.5Very low156 Ų156146.9 Ų146.980%0.878%0.776SS**  32.275.5127.6-49.4171.7000112L193 N197L193-I195 PolarHBondContact O-N 3.06Å; I195-N197 VanDerWaalsContact C-N 3.31Å; I195-N197 PolarHBondContact O-N 2.89Å
196L38Very low36.7Very low170 Ų170149 Ų14989%0.8978%0.775SS**  trans-66.3102.3160.2-83.5169000106.8D194 D198D194-L196 PolarHBondContact O-N 3.18Å; L196-D198 PolarHBondContact O-N 3.33Å
197N36.5Very low37.3Very low130 Ų130148.2 Ų148.270%0.69577%0.769SS**  trans-27.4113.6166.4-14727.6000111.4I195 E199I195-N197 VanDerWaalsContact C-N 3.31Å; I195-N197 PolarHBondContact O-N 2.89Å; N197-E199 PolarHBondContact O-N 3.1Å
198D38.3Very low38Very low153 Ų153143.4 Ų143.482%0.81876%0.755SS**  trans-64.968.6166.6-88-38000109L196 F200L196-D198 PolarHBondContact O-N 3.33Å; D198-F200 PolarHBondContact O-N 3.38Å
199E39.2Very low38.7Very low150 Ų150144.3 Ų144.370%0.70176%0.759SS**  trans-84.893.4166-163.6162-172.700106.4N197 L201N197-E199 PolarHBondContact O-N 3.1Å; E199-L201 PolarHBondContact O-N 2.86Å
200F39Very low39.3Very low188 Ų188144.4 Ų144.483%0.82576%0.755SS**  trans-36.599.9165.8-75.2-101.5000109.3D198 D202D198-F200 PolarHBondContact O-N 3.38Å; F200-D202 PolarHBondContact O-N 3.38Å
201L41.1Very low39.9Very low156 Ų156143 Ų14382%0.81775%0.746SS**  trans-68.394.5172.6-73175.1000106.8E199 V203E199-L201 PolarHBondContact O-N 2.86Å; L201-V203 PolarHBondContact O-N 2.89Å
202D40.8Very low40.4Very low106 Ų106140.6 Ų140.657%0.56774%0.74SS**  trans-52.7128.9177.2-161.2-1.1000109.6F200 D204 T205F200-D202 PolarHBondContact O-N 3.38Å; D202-D204 PolarHBondContact O-N 3.27Å; D202-T205 PolarHBondContact O-N 3.49Å; D202-T205 PolarHBondContact O-OG1 3Å
203V49Very low41.1Very low118 Ų118140.6 Ų140.672%0.71574%0.74SS**G310 helixtrans-59.7-17.2-174.4174.50000111.4L201 T205 M206L201-V203 PolarHBondContact O-N 2.89Å; V203-T205 PolarHBondContact O-N 2.91Å; V203-M206 PolarHBondContact O-N 3.32Å
204D48.1Very low41.4Very low120 Ų120136.8 Ų136.864%0.64273%0.727SS**G310 helixtrans-66.6-19.4173.9-76.3-12.7000114D202 M206 S207D202-D204 PolarHBondContact O-N 3.27Å; D204-M206 VanDerWaalsContact C-N 3.26Å; D204-M206 PolarHBondContact O-N 3.46Å; D204-S207 PolarHBondContact O-N 3.2Å
205T48.8Very low41.8Very low94 Ų94139 Ų13958%0.57773%0.734SS**G310 helixtrans-69.9-25177-47.30000112.1D202 V203 S207 S208D202-T205 PolarHBondContact O-N 3.49Å; D202-T205 PolarHBondContact O-OG1 3Å; V203-T205 PolarHBondContact O-N 2.91Å; T205-S207 VanDerWaalsContact C-N 3.25Å; T205-S207 PolarHBondContact O-N 3.24Å; T205-S208 PolarHBondContact O-N 2.83Å; T205-S208 VanDerWaalsContact O-N 3.15Å
206M36.1Very low42Very low164 Ų164141.3 Ų141.381%0.80873%0.734SS**G310 helixtrans-71.6-20.4177.5-122.7155.163.500112.7V203 D204 S208V203-M206 PolarHBondContact O-N 3.32Å; D204-M206 VanDerWaalsContact C-N 3.26Å; D204-M206 PolarHBondContact O-N 3.46Å; M206-S208 VanDerWaalsContact C-N 3.34Å
207S42.6Very low42.4Very low96 Ų96141 Ų14167%0.67173%0.728SS**G310 helixtrans-76.2-19.1171.6-95.20000113.4D204 T205 L209D204-S207 PolarHBondContact O-N 3.2Å; T205-S207 VanDerWaalsContact C-N 3.25Å; T205-S207 PolarHBondContact O-N 3.24Å; S207-L209 PolarHBondContact O-N 3.24Å
208S44.3Very low42.4Very low72 Ų72142.8 Ų142.850%0.50373%0.732SS.*G310 helixtrans-84.4-4.6-176-168.30000114.6T205 M206 M210T205-S208 PolarHBondContact O-N 2.83Å; T205-S208 VanDerWaalsContact O-N 3.15Å; M206-S208 VanDerWaalsContact C-N 3.34Å; S208-M210 VanDerWaalsContact C-N 3.29Å
209L44.6Very low42.6Very low159 Ų159143.5 Ų143.583%0.83273%0.73SS**G310 helixtrans-81.9-10.1173.7-162.465.2000112.6S207 K211S207-L209 PolarHBondContact O-N 3.24Å; L209-K211 PolarHBondContact O-N 2.95Å
210M43.7Very low42.7Very low173 Ų173141.3 Ų141.385%0.85273%0.732SS**  trans-79.853166.3-60-72175.200109.6S208 D212S208-M210 VanDerWaalsContact C-N 3.29Å; M210-D212 PolarHBondContact O-N 3.14Å
211K44.3Very low42.6Very low158 Ų158139.2 Ų139.269%0.68773%0.728SS**  trans-84.1112.1164.1-90.1-177.8178.7175.60107.6L209 D213L209-K211 PolarHBondContact O-N 2.95Å; K211-D213 PolarHBondContact O-N 3.13Å
212D42Very low42.5Very low140 Ų140142 Ų14275%0.74973%0.729SS**  trans-59.469.6179-156.95.4000110.8M210 S214M210-D212 PolarHBondContact O-N 3.14Å; D212-S214 PolarHBondContact O-N 2.92Å; D212-S214 PolarHBondContact O-OG 3.47Å
213D43.8Very low42.4Very low151 Ų151145.8 Ų145.881%0.80774%0.744SS**  trans-76.669.4170.3-72.4-10.2000108.6K211 E215K211-D213 PolarHBondContact O-N 3.13Å; D213-E215 PolarHBondContact O-N 3.47Å; D213-E215 VanDerWaalsContact O-N 3.07Å
214S41.9Very low41.9Very low91 Ų91144.2 Ų144.264%0.63674%0.738SS**  trans-78.254.7169.153.40000110.6D212 Y216D212-S214 PolarHBondContact O-N 2.92Å; D212-S214 PolarHBondContact O-OG 3.47Å; S214-Y216 PolarHBondContact O-N 2.9Å
215E40.5Very low41.6Very low174 Ų174145.2 Ų145.281%0.81375%0.748SS**  trans-96.882.8163.4-70.1-167.9177.400108.4D213 E217D213-E215 PolarHBondContact O-N 3.47Å; D213-E215 VanDerWaalsContact O-N 3.07Å; E215-E217 PolarHBondContact O-N 3.35Å
216Y40Very low41.4Very low205 Ų205148.7 Ų148.780%0.80476%0.757SS**  trans-67.876.8173.9-160.6-94.7000109.2S214 Q218S214-Y216 PolarHBondContact O-N 2.9Å; Y216-Q218 PolarHBondContact O-N 3.19Å
217E45.1Very low41.6Very low164 Ų164150 Ų15077%0.76676%0.762SS**  trans-66106.6168.6-80.6-76.3141.900107.9E215 E219E215-E217 PolarHBondContact O-N 3.35Å; E217-E219 PolarHBondContact O-N 3.46Å
218Q38.2Very low41.6Very low166 Ų166150.9 Ų150.978%0.77677%0.768SS**  trans-74.575.3-175-162.8164.363.700108.2Y216 S220Y216-Q218 PolarHBondContact O-N 3.19Å; Q218-S220 PolarHBondContact O-N 2.92Å
219E40.7Very low41.5Very low169 Ų169154.4 Ų154.479%0.7978%0.781SS**  trans-63.3106.9179.8-75.3-166.3172.100110.1E217 L221E217-E219 PolarHBondContact O-N 3.46Å; E219-L221 PolarHBondContact O-N 3.45Å
220S41.8Very low41.5Very low104 Ų104150.8 Ų150.873%0.72777%0.774SS**  trans-65.973.2172.461.70000109.9Q218 Y222Q218-S220 PolarHBondContact O-N 2.92Å; S220-Y222 PolarHBondContact O-N 3.44Å
221L37.5Very low41.3Very low143 Ų143145.3 Ų145.375%0.74976%0.762SS**  trans-83.754.2170.1-131.8159.2000109.6E219E219-L221 PolarHBondContact O-N 3.45Å
222Y38.9Very low41.5Very low216 Ų216144.2 Ų144.285%0.84777%0.768SS**  trans-86.5127.7151.3-84-91.5000105.9S220S220-Y222 PolarHBondContact O-N 3.44Å
223Q38Very low41.7Very low185 Ų185146.7 Ų146.786%0.86477%0.773SS**  trans107.267.4159.9-152.4143.43.500117.3
224S38.9Very low42.1Very low84 Ų84146 Ų14659%0.58777%0.769SS**  -141.388.4128.655.60000108.9E226S224-E226 PolarHBondContact O-N 3.12Å
225V42Very low42.9Very low141 Ų141148 Ų14886%0.85578%0.777SS**  trans-74.375.7156.8-178.60000105
226E43.8Very low43.1Very low167 Ų167146.3 Ų146.378%0.7877%0.774SS**  trans-90.1107.9163.4-75.8-179.9172.500106S224 S228S224-E226 PolarHBondContact O-N 3.12Å; E226-S228 PolarHBondContact O-N 2.78Å
227E41Very low43.4Very low192 Ų192144.8 Ų144.890%0.89777%0.774SS**  trans-53.683.9164.3-74.8172.4133.100108.9D229E227-D229 VanDerWaalsContact C-N 3.33Å; E227-D229 PolarHBondContact O-N 2.98Å; E227-D229 VanDerWaalsContact O-N 3.09Å
228S43.3Very low43.4Very low115 Ų115142.3 Ų142.380%0.80477%0.772SS**  trans-78.195.3165.9-172.20000107E226 A230E226-S228 PolarHBondContact O-N 2.78Å; S228-A230 PolarHBondContact O-N 3.34Å; S228-A230 VanDerWaalsContact O-N 3.14Å
229D42.8Very low43.7Very low146 Ų146141.6 Ų141.678%0.78177%0.773SS**  trans-33.6114.5168.2-171.510.1000110.5E227 G231E227-D229 VanDerWaalsContact C-N 3.33Å; E227-D229 PolarHBondContact O-N 2.98Å; E227-D229 VanDerWaalsContact O-N 3.09Å; D229-G231 VanDerWaalsContact C-N 3.31Å; D229-G231 PolarHBondContact O-N 2.89Å
230A42.8Very low44Very low83 Ų83137.4 Ų137.469%0.68676%0.762SS**  trans-66.696.1177.800000107.4S228 V232S228-A230 PolarHBondContact O-N 3.34Å; S228-A230 VanDerWaalsContact O-N 3.14Å; A230-V232 PolarHBondContact O-N 2.9Å
231G40.1Very low44.3Very low58 Ų58137.4 Ų137.460%0.59876%0.759SS**  trans-43.9112.517100000109.4D229 F233D229-G231 VanDerWaalsContact C-N 3.31Å; D229-G231 PolarHBondContact O-N 2.89Å; G231-F233 PolarHBondContact O-N 2.76Å
232V48.9Very low44.9Very low135 Ų135135.5 Ų135.582%0.81875%0.75SS**  trans-63102.9175.1-1790000105.9A230 D234A230-V232 PolarHBondContact O-N 2.9Å; V232-D234 PolarHBondContact O-N 3.37Å
233F45.8Very low45.3Very low192 Ų192127.3 Ų127.384%0.84273%0.727SS**  trans-57.8114.5172.1-86-93.2000107.7G231 V235G231-F233 PolarHBondContact O-N 2.76Å; F233-V235 WeakPolarHBondContact O-CG2 3.44Å; F233-V235 PolarHBondContact O-N 3.03Å
234D53.1Low45.8Very low136 Ų136125.2 Ų125.273%0.72772%0.718SS**  trans-67.997.3176.1-123.4-27.9000108V232 N236V232-D234 PolarHBondContact O-N 3.37Å; D234-N236 PolarHBondContact O-N 2.94Å
235V57Low46.3Very low133 Ų133127.4 Ų127.481%0.80672%0.719SS**THydrogen-bonded Turntrans-68.47.3-177.1176.90000112.7F233F233-V235 WeakPolarHBondContact O-CG2 3.44Å; F233-V235 PolarHBondContact O-N 3.03Å
236N45.4Very low46.4Very low139 Ų139128 Ų12874%0.74371%0.71SS**THydrogen-bonded Turntrans-114.412.5-175.9-64.1-47.9000114.4D234 P238D234-N236 PolarHBondContact O-N 2.94Å; N236-P238 WeakPolarHBondContact O-CD 3.35Å
237E46.8Very low46.7Very low172 Ų172125.8 Ų125.880%0.80470%0.703SS**  trans-74.8111.7169.5-164.1166.9-161.800109.5L239E237-L239 PolarHBondContact O-N 2.65Å
238P44.8Very low47Very low113 Ų113122.7 Ų122.773%0.73469%0.692SS**  trans-63.4127.4177.726.6-32.4000108.9N236 S240N236-P238 WeakPolarHBondContact O-CD 3.35Å; P238-S240 PolarHBondContact O-N 3.05Å; P238-S240 VanDerWaalsContact O-N 3.08Å
239L44.8Very low47.1Very low151 Ų151121 Ų12179%0.79168%0.677SS**  trans-43.5117.4173.5-73.5151000109.6E237E237-L239 PolarHBondContact O-N 2.65Å
240S46.9Very low47Very low80 Ų80120.1 Ų120.156%0.55967%0.671SS**  trans-51.1135.3172.5179.90000109.2P238 D242 A243P238-S240 PolarHBondContact O-N 3.05Å; P238-S240 VanDerWaalsContact O-N 3.08Å; S240-D242 PolarHBondContact O-N 3.42Å; S240-A243 PolarHBondContact O-N 2.89Å
241P48.1Very low47Very low104 Ų104122.7 Ų122.768%0.67567%0.674SS**THydrogen-bonded Turntrans-62.8-5.2-172.622.9-32.6000114.8A243P241-A243 VanDerWaalsContact C-N 3.3Å
242D50.4Low47.2Very low103 Ų103126.7 Ų126.755%0.55168%0.681SS**Hα-helixtrans-69.3-25.3169.9-99.3-6.2000113.2S240 E244 Q245 F246S240-D242 PolarHBondContact O-N 3.42Å; D242-E244 VanDerWaalsContact C-N 3.34Å; D242-E244 PolarHBondContact O-N 3.34Å; D242-Q245 PolarHBondContact O-N 2.71Å; D242-F246 WeakPolarHBondContact O-CD2 3.05Å
243A47.5Very low46.7Very low45 Ų45131.3 Ų131.337%0.37268%0.684SS.*Hα-helixtrans-70.7-28.9179.800000112.8S240 P241 Q245 F246S240-A243 PolarHBondContact O-N 2.89Å; P241-A243 VanDerWaalsContact C-N 3.3Å; A243-Q245 VanDerWaalsContact C-N 3.33Å; A243-F246 PolarHBondContact O-N 3.32Å
244E48.3Very low46Very low141 Ų141125.1 Ų125.166%0.65967%0.674SS**Hα-helixtrans-76.2-20.4178.4-66-159.4169.700113.1D242 F246 L247D242-E244 VanDerWaalsContact C-N 3.34Å; D242-E244 PolarHBondContact O-N 3.34Å; E244-F246 VanDerWaalsContact C-N 3.35Å; E244-L247 PolarHBondContact O-N 3.45Å
245Q49.7Very low45.2Very low130 Ų130126 Ų12661%0.60768%0.679SS**Hα-helixtrans-69-35.3173.8-69.1-166.918.900111.7D242 A243 L247 N248 T249D242-Q245 PolarHBondContact O-N 2.71Å; A243-Q245 VanDerWaalsContact C-N 3.33Å; Q245-L247 VanDerWaalsContact C-N 3.31Å; Q245-L247 PolarHBondContact O-N 2.87Å; Q245-N248 PolarHBondContact O-N 3.49Å; Q245-T249 PolarHBondContact O-N 2.99Å; Q245-T249 PolarHBondContact O-OG1 3.09Å; Q245-T249 VanDerWaalsContact O-OG1 3.06Å
246F44.1Very low44.2Very low152 Ų152127.5 Ų127.567%0.66768%0.677SS**Hα-helixtrans-64.8-33.1178.1-75.8-78.2000113.2D242 A243 E244 I250D242-F246 WeakPolarHBondContact O-CD2 3.05Å; A243-F246 PolarHBondContact O-N 3.32Å; E244-F246 VanDerWaalsContact C-N 3.35Å; F246-I250 WeakPolarHBondContact O-CG1 2.97Å
247L49.6Very low43.8Very low122 Ų122126.8 Ų126.864%0.63968%0.678SS**Hα-helixtrans-74.3-27.2178.3-78.1169000113.1E244 Q245E244-L247 PolarHBondContact O-N 3.45Å; Q245-L247 VanDerWaalsContact C-N 3.31Å; Q245-L247 PolarHBondContact O-N 2.87Å
248N47.1Very low43.6Very low126 Ų126123.8 Ų123.867%0.67467%0.666SS**Hα-helixtrans-82.3-22.7175.5-75.5-26.1000113.1Q245Q245-N248 PolarHBondContact O-N 3.49Å
249T44.6Very low43.3Very low80 Ų80129 Ų12949%0.49167%0.672SS.*Hα-helixtrans-77.6-24.2177.5-49.10000113.4Q245 N251 D252Q245-T249 PolarHBondContact O-N 2.99Å; Q245-T249 PolarHBondContact O-OG1 3.09Å; Q245-T249 VanDerWaalsContact O-OG1 3.06Å; T249-N251 VanDerWaalsContact C-N 3.26Å; T249-N251 PolarHBondContact O-N 3.45Å; T249-D252 PolarHBondContact O-N 3.41Å
250I42.1Very low43Very low128 Ų128126.4 Ų126.466%0.65667%0.666SS**G310 helixtrans-70.3-22.8-179-68.5168.7000112.5F246F246-I250 WeakPolarHBondContact O-CG1 2.97Å
251N42.1Very low42.5Very low137 Ų137130.5 Ų130.573%0.73368%0.676SS**G310 helixtrans-86.4-2.2-178.1-73.4-26.3000114.9T249T249-N251 VanDerWaalsContact C-N 3.26Å; T249-N251 PolarHBondContact O-N 3.45Å
252D43.7Very low42Very low141 Ų141129.8 Ų129.875%0.75468%0.679SS**G310 helixtrans-109.94.2-175.8-140.219.8000114.1T249 G254T249-D252 PolarHBondContact O-N 3.41Å; D252-G254 VanDerWaalsContact C-N 3.28Å; D252-G254 PolarHBondContact O-N 2.81Å
253W37.9Very low41.4Very low233 Ų233134 Ų13488%0.88370%0.695SS**  trans-91.614.9177.9-80.250.2000113.6
254G32.1Very low41.1Very low62 Ų62137 Ų13764%0.63971%0.713SS**SBendtrans-99.2110.6168.400000110.2D252D252-G254 VanDerWaalsContact C-N 3.28Å; D252-G254 PolarHBondContact O-N 2.81Å
255D36.9Very low41Very low153 Ų153137.3 Ų137.382%0.81872%0.72SS**  trans103.427.1157.2-134.123.6000119.2
256E35.4Very low40.8Very low166 Ų166135.6 Ų135.678%0.77672%0.722SS**  trans-99.480.2159-139.7176.7177.100111I258E256-I258 HydrophobicContact CB-CG1 4.07Å; E256-I258 HydrophobicContact CG-CD1 4.14Å; E256-I258 HydrophobicContact CG-CG1 3.56Å; E256-I258 PolarHBondContact O-N 3.27Å
257T37Very low41.2Very low123 Ų123135.4 Ų135.476%0.75573%0.728SS**  trans-62.779156.443.80000108.7R259T257-R259 PolarHBondContact O-N 3.23Å
258I42.3Very low41.3Very low110 Ų110138 Ų13856%0.56473%0.734SS**  trans-7288.5168.4-58.3179.2000106.5E256 S260E256-I258 HydrophobicContact CB-CG1 4.07Å; E256-I258 HydrophobicContact CG-CD1 4.14Å; E256-I258 HydrophobicContact CG-CG1 3.56Å; E256-I258 PolarHBondContact O-N 3.27Å; I258-S260 WeakPolarHBondContact CG2-OG 3.39Å; I258-S260 PolarHBondContact O-N 3.23Å
259R38Very low41.5Very low223 Ų223139 Ų13984%0.84273%0.733SS**  trans-64.476.4154.3-86-179.5163.9-165.1-4.9107.5T257 E261T257-R259 PolarHBondContact O-N 3.23Å; R259-E261 PolarHBondContact O-N 3.47Å
260S39.5Very low42.1Very low95 Ų95141.6 Ų141.666%0.66474%0.743SS**  trans-87.193.9159.5-73.50000106.4I258 A262I258-S260 WeakPolarHBondContact CG2-OG 3.39Å; I258-S260 PolarHBondContact O-N 3.23Å; S260-A262 PolarHBondContact O-N 3.29Å
261E35.7Very low42.7Very low166 Ų166144.5 Ų144.578%0.77675%0.747SS**  trans-6088.7159.5-67.5172-179.500106.3R259 E263R259-E261 PolarHBondContact O-N 3.47Å; E261-E263 PolarHBondContact O-N 2.95Å; E261-E263 VanDerWaalsContact O-N 3.14Å
262A37.7Very low43.1Very low89 Ų89143.1 Ų143.174%0.73675%0.746SS**  trans-69108168.900000106.2S260 S264S260-A262 PolarHBondContact O-N 3.29Å; A262-S264 VanDerWaalsContact C-N 3.28Å; A262-S264 PolarHBondContact O-N 2.84Å
263E37.7Very low43.3Very low191 Ų191145.6 Ų145.689%0.89375%0.753SS**  trans-53.995.6168.6-68177.1160.800107.8E261 D265E261-E263 PolarHBondContact O-N 2.95Å; E261-E263 VanDerWaalsContact O-N 3.14Å; E263-D265 VanDerWaalsContact C-N 3.29Å; E263-D265 PolarHBondContact O-N 2.9Å
264S41Very low43.9Very low108 Ų108141.7 Ų141.776%0.75575%0.748SS**  trans-7789.1176.5-167.10000106.7A262 S266A262-S264 VanDerWaalsContact C-N 3.28Å; A262-S264 PolarHBondContact O-N 2.84Å; S264-S266 PolarHBondContact O-N 2.9Å
265D46.1Very low44.8Very low149 Ų149147.7 Ų147.780%0.79776%0.757SS**  trans-6584.3167.4-154.36.7000107.1E263 D267E263-D265 VanDerWaalsContact C-N 3.29Å; E263-D265 PolarHBondContact O-N 2.9Å; D265-D267 VanDerWaalsContact C-N 3.29Å; D265-D267 PolarHBondContact O-N 2.89Å
266S46.1Very low45.4Very low93 Ų93147.9 Ų147.965%0.6576%0.758SS**  trans-75.190-178.267.60000107.3S264 K268S264-S266 PolarHBondContact O-N 2.9Å; S266-K268 VanDerWaalsContact C-N 3.31Å; S266-K268 PolarHBondContact O-N 3.18Å
267D52.8Low45.8Very low149 Ų149144.1 Ų144.180%0.79775%0.749SS**  trans-54.2102.7160.9-86.1-30.7000107.2D265 F269D265-D267 VanDerWaalsContact C-N 3.29Å; D265-D267 PolarHBondContact O-N 2.89Å; D267-F269 VanDerWaalsContact C-N 3.35Å; D267-F269 PolarHBondContact O-N 2.76Å
268K51.2Low46.1Very low177 Ų177147.2 Ų147.277%0.7776%0.755SS**  trans-6795.6-175.8-175172.5179.5179.50108.1S266 N270S266-K268 VanDerWaalsContact C-N 3.31Å; S266-K268 PolarHBondContact O-N 3.18Å; K268-N270 PolarHBondContact O-N 3.1Å
269F52.2Low46.3Very low146 Ų146148.1 Ų148.164%0.6476%0.761SS**  trans-63.1114.3174.5-171.6-95.8000109.3D267 Y271D267-F269 VanDerWaalsContact C-N 3.35Å; D267-F269 PolarHBondContact O-N 2.76Å; F269-Y271 HydrophobicContact CD1-CD1 4.15Å; F269-Y271 HydrophobicContact CD1-CD2 4.01Å; F269-Y271 HydrophobicContact CD1-CE1 4Å; F269-Y271 AromaticContact CD1-CE2 3.86Å; F269-Y271 HydrophobicContact CD1-CE2 3.86Å; F269-Y271 HydrophobicContact CD1-CG 4.16Å; F269-Y271 AromaticContact CD1-CZ 3.85Å; F269-Y271 AromaticContact CE1-CD1 3.83Å; F269-Y271 HydrophobicContact CE1-CD1 3.83Å; F269-Y271 HydrophobicContact CE1-CD2 4.49Å; F269-Y271 AromaticContact CE1-CE1 3.8Å; F269-Y271 HydrophobicContact CE1-CE1 3.8Å; F269-Y271 HydrophobicContact CE1-CE2 4.47Å; F269-Y271 HydrophobicContact CE1-CG 4.19Å
270N56.5Low46.3Very low134 Ų134144.7 Ų144.772%0.71776%0.76SS**  trans-84.3112.2172.9-70.8-39.2000108.5K268K268-N270 PolarHBondContact O-N 3.1Å
271Y54.6Low46.3Very low189 Ų189147.7 Ų147.774%0.74177%0.767SS**  trans-67.7139.2169.3-69.8-89.3000109.5F269 E273F269-Y271 HydrophobicContact CD1-CD1 4.15Å; F269-Y271 HydrophobicContact CD1-CD2 4.01Å; F269-Y271 HydrophobicContact CD1-CE1 4Å; F269-Y271 AromaticContact CD1-CE2 3.86Å; F269-Y271 HydrophobicContact CD1-CE2 3.86Å; F269-Y271 HydrophobicContact CD1-CG 4.16Å; F269-Y271 AromaticContact CD1-CZ 3.85Å; F269-Y271 AromaticContact CE1-CD1 3.83Å; F269-Y271 HydrophobicContact CE1-CD1 3.83Å; F269-Y271 HydrophobicContact CE1-CD2 4.49Å; F269-Y271 AromaticContact CE1-CE1 3.8Å; F269-Y271 HydrophobicContact CE1-CE1 3.8Å; F269-Y271 HydrophobicContact CE1-CE2 4.47Å; F269-Y271 HydrophobicContact CE1-CG 4.19Å; Y271-E273 PolarHBondContact O-N 2.96Å
272P50.2Low46.2Very low108 Ų108144.8 Ų144.870%0.70177%0.766SS**  trans-57.6128.7166.9-18.329.8000109.4I274P272-I274 PolarHBondContact O-N 2.87Å
273E48.7Very low46.1Very low194 Ų194146.6 Ų146.691%0.90777%0.767SS**  trans-61106.2169.7-74.9176.9170.600108.5Y271 K275Y271-E273 PolarHBondContact O-N 2.96Å; E273-K275 PolarHBondContact O-N 3.35Å
274I50Low45.9Very low151 Ų151142.6 Ų142.677%0.77476%0.761SS**  trans-70.7115.2169.1-57.7170.5000105.1P272 D276P272-I274 PolarHBondContact O-N 2.87Å; I274-D276 PolarHBondContact O-N 3.47Å
275K50.8Low45.5Very low188 Ų188142.9 Ų142.982%0.81776%0.758SS**  trans-64.9121.9170.4-69.2-169.5176.2-174.30107.1E273 S277E273-K275 PolarHBondContact O-N 3.35Å; K275-S277 PolarHBondContact O-N 3.27Å
276D49.2Very low44.9Very low157 Ų157144.6 Ų144.684%0.8476%0.761SS**  trans-58.187170.7-61.3-43.5000108.7I274I274-D276 PolarHBondContact O-N 3.47Å
277S43.7Very low44.4Very low86 Ų86146.6 Ų146.660%0.60176%0.763SS**  trans-74.2119.2157.949.20000105.8K275 D279K275-S277 PolarHBondContact O-N 3.27Å; S277-D279 PolarHBondContact O-N 3.3Å
278E44.6Very low43.5Very low188 Ų188144.8 Ų144.888%0.87976%0.762SS**  trans-67.348.3177.7-60.2-169.9160.700112.2D280E278-D280 PolarHBondContact O-N 3.11Å
279D45.3Very low42.6Very low129 Ų129141.5 Ų141.569%0.6976%0.761SS**  trans-82.798.3172.5-71.1-39.5000108.3S277 L281S277-D279 PolarHBondContact O-N 3.3Å; D279-L281 VanDerWaalsContact C-N 3.3Å; D279-L281 PolarHBondContact O-N 3.47Å
280D38.6Very low41.5Very low151 Ų151140.5 Ų140.581%0.80777%0.768SS**  trans-40.376.9170.6-83.5-42.7000114E278 S282E278-D280 PolarHBondContact O-N 3.11Å; D280-S282 PolarHBondContact O-N 3.35Å
281L40.1Very low40.4Very low158 Ų158139.8 Ų139.883%0.82777%0.773SS**  trans-94.779.5162.6-71176.2000109.1D279 V283D279-L281 VanDerWaalsContact C-N 3.3Å; D279-L281 PolarHBondContact O-N 3.47Å; L281-V283 VanDerWaalsContact C-N 3.33Å; L281-V283 PolarHBondContact O-N 3.21Å
282S34.2Very low39.4Very low106 Ų106137.1 Ų137.174%0.74178%0.776SS**  trans-65.386.9169-61.30000110D280D280-S282 PolarHBondContact O-N 3.35Å
283V34.1Very low38.5Very low126 Ų126136.9 Ų136.976%0.76478%0.777SS**  trans-89.3110.3170.9-177.70000108.5L281 T285L281-V283 VanDerWaalsContact C-N 3.33Å; L281-V283 PolarHBondContact O-N 3.21Å; V283-T285 PolarHBondContact O-N 3.39Å
284S33.6Very low37.4Very low108 Ų108134.7 Ų134.776%0.75578%0.777SS**  trans-66.9120.3176.3-59.30000111E286S284-E286 PolarHBondContact O-N 3.44Å
285T32.6Very low36.5Very low114 Ų114131.8 Ų131.870%0.69977%0.77SS**  trans-76.8102.5175.6-43.60000110.5V283 I287V283-T285 PolarHBondContact O-N 3.39Å; T285-I287 HydrophobicContact CG2-CB 4.46Å; T285-I287 HydrophobicContact CG2-CD1 4.31Å; T285-I287 HydrophobicContact CG2-CG1 3.86Å; T285-I287 HydrophobicContact CG2-CG2 4.1Å
286E34.7Very low35.7Very low185 Ų185130.7 Ų130.786%0.86477%0.772SS**  trans-97.875.1164.3-68.5-162.9167.900110.2S284 S288S284-E286 PolarHBondContact O-N 3.44Å; E286-S288 PolarHBondContact O-N 2.85Å
287I35.2Very low35Very low134 Ų134133.2 Ų133.269%0.68778%0.776SS**  trans-80.290.6165.240.7172.3000109.1T285 S289T285-I287 HydrophobicContact CG2-CB 4.46Å; T285-I287 HydrophobicContact CG2-CD1 4.31Å; T285-I287 HydrophobicContact CG2-CG1 3.86Å; T285-I287 HydrophobicContact CG2-CG2 4.1Å; I287-S289 VanDerWaalsContact C-N 3.32Å; I287-S289 PolarHBondContact O-N 2.76Å; I287-S289 PolarHBondContact O-OG 3.01Å
288S32.6Very low34.7Very low112 Ų112134 Ų13478%0.78378%0.779SS**  trans-70.490.2170.5-153.40000109.2E286 T290E286-S288 PolarHBondContact O-N 2.85Å; S288-T290 PolarHBondContact O-N 3.02Å; S288-T290 VanDerWaalsContact O-N 3.13Å
289S33.9Very low34Very low108 Ų108131.8 Ų131.876%0.75577%0.773SS**  trans-82.282.4179.224.70000109.6I287 S291I287-S289 VanDerWaalsContact C-N 3.32Å; I287-S289 PolarHBondContact O-N 2.76Å; I287-S289 PolarHBondContact O-OG 3.01Å; S289-S291 PolarHBondContact O-N 3.2Å
290T28.8Very low33.4Very low125 Ų125131.2 Ų131.277%0.76777%0.774SS**  trans-83.398.7166.316.80000109.4S288 V292S288-T290 PolarHBondContact O-N 3.02Å; S288-T290 VanDerWaalsContact O-N 3.13Å; T290-V292 PolarHBondContact O-N 2.97Å
291S32.3Very low32.9Very low119 Ų119129.6 Ų129.683%0.83277%0.77SS**  trans-65.1103172.138.50000110.9S289 S293S289-S291 PolarHBondContact O-N 3.2Å; S291-S293 PolarHBondContact O-N 3.41Å
292V33.6Very low32.5Very low133 Ų133129.9 Ų129.981%0.80677%0.767SS**  trans-86.3110.9166.4-179.70000108.2T290 T294T290-V292 PolarHBondContact O-N 2.97Å; V292-T294 PolarHBondContact O-N 2.82Å
293S30.9Very low32.4Very low102 Ų102133.2 Ų133.271%0.71377%0.771SS**  trans-62.7108.9-178.7590000111.9S291 S295S291-S293 PolarHBondContact O-N 3.41Å; S293-S295 VanDerWaalsContact C-N 3.33Å; S293-S295 PolarHBondContact O-N 2.74Å; S293-S295 VanDerWaalsContact O-N 3.13Å
294T27.3Very low32.1Very low148 Ų148135.8 Ų135.891%0.90878%0.779SS**  trans-76.582.6160.540.30000109.6V292V292-T294 PolarHBondContact O-N 2.82Å
295S31.2Very low31.9Very low90 Ų90133.3 Ų133.363%0.62977%0.771SS**  trans-160.6100.8160.864.70000110.3S293S293-S295 VanDerWaalsContact C-N 3.33Å; S293-S295 PolarHBondContact O-N 2.74Å; S293-S295 VanDerWaalsContact O-N 3.13Å
296L33.3Very low31.6Very low165 Ų165134.7 Ų134.786%0.86478%0.78SS**  trans-171.460.8142.9-126.971.6000109.4P298L296-P298 VanDerWaalsContact O-CD 3.31Å; L296-P298 WeakPolarHBondContact O-CD 3.34Å
297F33.9Very low31.4Very low210 Ų210132.7 Ų132.792%0.92178%0.779SS**  trans-74117.4148.7-79.5-78.8000105.8D299F297-D299 PolarHBondContact O-N 2.82Å; F297-D299 VanDerWaalsContact O-N 3.09Å
298P37.8Very low31Very low103 Ų103129.4 Ų129.467%0.66978%0.779SS**  trans-73.3106.7174.731.5-31.9000107.1L296 V300L296-P298 VanDerWaalsContact O-CD 3.31Å; L296-P298 WeakPolarHBondContact O-CD 3.34Å; P298-V300 VanDerWaalsContact C-N 3.28Å; P298-V300 HydrophobicContact CB-CG2 3.97Å; P298-V300 PolarHBondContact O-N 2.99Å
299D30.2Very low30.9Very low142 Ų142131.5 Ų131.576%0.75978%0.781SS**  trans-67.190.7165-167.69.4000107.7F297 T301F297-D299 PolarHBondContact O-N 2.82Å; F297-D299 VanDerWaalsContact O-N 3.09Å; D299-T301 PolarHBondContact OD1-OG1 3.14Å
300V33.5Very low30.6Very low117 Ų117130 Ų13071%0.70978%0.784SS**  trans-118.457.3174.5-166.50000108.1P298 E302P298-V300 VanDerWaalsContact C-N 3.28Å; P298-V300 HydrophobicContact CB-CG2 3.97Å; P298-V300 PolarHBondContact O-N 2.99Å; V300-E302 VanDerWaalsContact C-N 3.35Å; V300-E302 PolarHBondContact O-N 2.85Å
301T27.7Very low30.7Very low116 Ų116129.2 Ų129.271%0.71278%0.782SS**  trans-82.786.4145.636.40000108.1D299D299-T301 PolarHBondContact OD1-OG1 3.14Å
302E31.9Very low30.6Very low165 Ų165131 Ų13177%0.77178%0.782SS**  trans174.5144.5145.6-99.7175.5-167.300110.8V300V300-E302 VanDerWaalsContact C-N 3.35Å; V300-E302 PolarHBondContact O-N 2.85Å
303Q31.4Very low30.7Very low175 Ų175131.3 Ų131.382%0.81878%0.784SS**  trans81.972.7171.7-52-173.537.100118.3
304L28.5Very low30.5Very low180 Ų180132.8 Ų132.894%0.94278%0.784SS**  -131.591.5129.4-81.3178000108.7
305G28.2Very low30.6Very low56 Ų56133.5 Ų133.558%0.57778%0.782SS**  trans-62.3132.7164.800000110.5V307G305-V307 PolarHBondContact O-N 2.81Å
306T25.8Very low30.5Very low144 Ų144133 Ų13388%0.88379%0.791SS**  trans27.195.3140.434.80000116.8
307V32.1Very low30.2Very low142 Ų142133.1 Ų133.186%0.86179%0.787SS**  trans-114106145.7178.40000106.5G305G305-V307 PolarHBondContact O-N 2.81Å
308G25.9Very low30.1Very low66 Ų66133 Ų13368%0.6879%0.786SS**  trans-63.1138.5175.900000110.8
309N31.3Very low29.7Very low155 Ų155134.7 Ų134.783%0.82979%0.789SS**  trans-130.195.5155.6-127.717.1000107.3C311N309-C311 PolarHBondContact O-N 3.33Å
310G26.2Very low29.7Very low78 Ų78137.2 Ų137.280%0.80479%0.794SS**  trans-66.3112.6171.300000109.2
311C32Very low29.4Very low108 Ų108141.5 Ų141.573%0.7380%0.803SS**  trans-126.377.4163.5-540000106.5N309 V313N309-C311 PolarHBondContact O-N 3.33Å; C311-V313 PolarHBondContact O-N 3Å
312D29.3Very low29.7Very low156 Ų156142 Ų14283%0.83481%0.806SS**  trans-69.5107163.7-89.7-38.3000108.3
313V37Very low29.7Very low140 Ų140140.3 Ų140.385%0.84881%0.806SS**  trans-128.8105.3158-1750000108.4C311C311-V313 PolarHBondContact O-N 3Å
314N27.1Very low29.6Very low132 Ų132141.3 Ų141.371%0.70681%0.808SS**  trans-61.3158.4175.2-84.3-48.6000113.9
315N27.7Very low29.8Very low163 Ų163138.6 Ų138.687%0.87280%0.801SS**  trans81.8113.9150.4-69.8-14.9000119.4
316G29.2Very low29.9Very low79 Ų79141.2 Ų141.281%0.81481%0.81SS**  trans174.946.7165.200000114.7K318G316-K318 PolarHBondContact O-N 3.27Å
317E27.5Very low30.4Very low169 Ų169140 Ų14079%0.7981%0.805SS**  trans-62.4113.3175.7-164.5-178.7-175.900111.5
318K32.7Very low30.4Very low206 Ų206140.3 Ų140.390%0.89680%0.802SS**  trans-140.497.3157.9-77.5-167.6-179.7173.10110.8G316 K320G316-K318 PolarHBondContact O-N 3.27Å; K318-K320 PolarHBondContact O-N 3.26Å
319N28.5Very low30.7Very low139 Ų139146.6 Ų146.674%0.74381%0.81SS**  trans-59.1117.8166.4-74.9-52.1000111.5
320K30.6Very low30.7Very low195 Ų195150 Ų15085%0.84881%0.812SS**  trans-133.997.3152.8-92.3-172.8176.8179.90109.7K318 V322K318-K320 PolarHBondContact O-N 3.26Å; K320-V322 PolarHBondContact O-N 3.1Å
321K27.7Very low31Very low208 Ų208155.3 Ų155.390%0.90482%0.815SS**  trans-67116.2161.1-81.6176.4173.3174.60108.5
322V32.8Very low31.1Very low127 Ų127160 Ų16077%0.7782%0.823SS**  trans-135.697.9159.1-177.30000109.1K320K320-V322 PolarHBondContact O-N 3.1Å
323V31.9Very low31.2Very low128 Ų128160 Ų16078%0.77682%0.823SS**  trans26.3113.7143-171.40000118.1
324K29.5Very low30.9Very low197 Ų197165.1 Ų165.186%0.85783%0.827SS**PPolyproline II helixtrans-67.7130.4161.2-71178.1175-179.30110.4
325P33.6Very low31.1Very low123 Ų123170.9 Ų170.980%0.79984%0.839SS**PPolyproline II helixtrans-76.2129.1165.229.5-28.7000109.8
326S30.1Very low31.2Very low110 Ų110167.2 Ų167.277%0.76983%0.826SS**PPolyproline II helixtrans-78.6137.8175.2-163.20000110.2N328S326-N328 PolarHBondContact O-N 2.72Å
327P36Very low31.2Very low118 Ų118170.4 Ų170.477%0.76683%0.825SS**  trans-71.8111.9-18027.5-31.8000110.4K329P327-K329 PolarHBondContact O-N 3.03Å
328N32.4Very low31.6Very low149 Ų149170.4 Ų170.480%0.79783%0.829SS**  trans-77.6107.3-178.3-148.3-6.3000109.9S326 R330S326-N328 PolarHBondContact O-N 2.72Å; N328-R330 PolarHBondContact O-N 2.94Å; N328-R330 VanDerWaalsContact O-N 3.12Å
329K32.2Very low31.5Very low198 Ų198169.6 Ų169.686%0.86183%0.826SS**  trans-64.6102.2172.7-67.7177.2178.3-179.50109.6P327P327-K329 PolarHBondContact O-N 3.03Å
330R30.3Very low31.8Very low228 Ų228171.6 Ų171.686%0.8683%0.833SS**  trans-102.793.5164.6-98.6-178.8167.2173.8-3.3109.6N328 K332N328-R330 PolarHBondContact O-N 2.94Å; N328-R330 VanDerWaalsContact O-N 3.12Å; R330-K332 PolarHBondContact O-N 3.2Å
331Q32.1Very low32.2Very low188 Ų188168 Ų16888%0.87983%0.827SS**  trans-56.9115.1157.9-72.8172-53.500108.3
332K34.3Very low32.5Very low207 Ų207164.8 Ų164.890%0.983%0.825SS**PPolyproline II helixtrans-102.6121.5165.3-101.5-179.9176.1178.20108.3R330R330-K332 PolarHBondContact O-N 3.2Å
333N33Very low32.5Very low156 Ų156164.3 Ų164.383%0.83483%0.828SS**PPolyproline II helixtrans-54.8134.1-172.5-79.1-35.4000113.7R335N333-R335 PolarHBondContact O-N 2.86Å
334R29.3Very low32.6Very low248 Ų248167.2 Ų167.294%0.93683%0.833SS**PPolyproline II helixtrans-46.8118.2152.6-81.4176.5159.1177-6.4109.5
335R31.3Very low32.6Very low252 Ų252167.2 Ų167.295%0.95183%0.833SS**  trans-104.899.4157.7-119.1-179.2178.9-178.1-1.1106.8N333N333-R335 PolarHBondContact O-N 2.86Å
336S30.8Very low32.7Very low86 Ų86174.3 Ų174.360%0.60186%0.855SS**  trans-79156.1165.246.40000110.3
337N29Very low32.8Very low146 Ų146177.5 Ų177.578%0.78186%0.859SS**  trans94.3104.7163.9-51.4-26.2000116.2
338L34.8Very low32.7Very low170 Ų170180.6 Ų180.689%0.8986%0.864SS**  -160.1120.6116.3-106.3138.9000111.1
339K30.9Very low32.7Very low188 Ų188182.4 Ų182.482%0.81787%0.868SS**  trans-78.4112.1179.1-176178.2-176.1177.70107.4
340M35.2Very low32.7Very low182 Ų182181.5 Ų181.590%0.89787%0.869SS**  trans-97.1115.5169.8-78.5-74-108.300108.6
341T38.1Very low32.8Very low118 Ų118178.6 Ų178.672%0.72487%0.869SS**  trans-69.5127.8-179.444.60000111.2S343T341-S343 PolarHBondContact O-N 3.35Å
342T34.8Very low32.9Very low142 Ų142177.9 Ų177.987%0.87187%0.868SS**  trans-53.4119.8164.334.10000110.9
343S33.7Very low32.8Very low117 Ų117175.9 Ų175.982%0.81887%0.866SS**  trans-89.2115.9173-157.10000108.8T341T341-S343 PolarHBondContact O-N 3.35Å
344Q32.6Very low32.8Very low188 Ų188177.4 Ų177.488%0.87987%0.869SS**  trans-72.2124.1164.8-74.7176.6-42.900109.2
345K30.8Very low33.1Very low198 Ų198171.5 Ų171.586%0.86186%0.863SS**  trans-170.7102.1157.4-109.2176.3-179.1-178.60106.6
346Q34.8Very low33.2Very low271 Ų271164.2 Ų164.2100%1.26686%0.855SS**  -178089.4-144.2164.8-12.100109.7

Retrieved 346 of 346 residues in 80.1 ms (Link to these results)

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