A0A061IBN3_CRIGR Loading...

M-phase phosphoprotein 6

AlphaFold DB , UniProt , Accession A0A061IBN3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mphosph6, Length 160 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
1M35.6Very low67Low246 Ų246153.5 Ų153.5100%1.21279%0.786SS**  0113.90-68.3-166.2171.900108S3M1-S3 PolarHBondContact O-N 3.2Å
2A46.4Very low68.6Low104 Ų104151 Ų15186%0.8678%0.775SS**  trans-80.6112.3-17900000108.9E4A2-E4 PolarHBondContact O-N 2.78Å
3S52.6Low70Confident105 Ų105144.7 Ų144.773%0.73474%0.744SS**  trans-58118.9171.5171.40000109.2M1 R5M1-S3 PolarHBondContact O-N 3.2Å; S3-R5 PolarHBondContact O-N 3.23Å
4E55.4Low71.2Confident178 Ų178136.9 Ų136.983%0.83270%0.704SS**  trans-55.8110.3170.1-74.4178.4163.100109.4A2 K6A2-E4 PolarHBondContact O-N 2.78Å; E4-K6 PolarHBondContact O-N 3.4Å
5R63.5Low72.1Confident237 Ų237135.5 Ų135.589%0.89469%0.686SS**  trans-78.2103.5174.5-62.6-176.3-161.9168.84.7107.5S3 T7S3-R5 PolarHBondContact O-N 3.23Å; R5-T7 PolarHBondContact O-N 3.03Å
6K68.4Low73.3Confident183 Ų183132.6 Ų132.680%0.79667%0.67SS**  trans-59.1123.5171.1-65-175.4179.9-1770109E4 K8E4-K6 PolarHBondContact O-N 3.4Å; K6-K8 PolarHBondContact O-N 3.07Å; K6-K8 VanDerWaalsContact O-N 3.15Å
7T76.7Confident74.2Confident145 Ų145135.3 Ų135.389%0.8968%0.677SS**  trans-68107.4176.349.90000109.2R5R5-T7 PolarHBondContact O-N 3.03Å
8K81.2Confident75Confident190 Ų190135.4 Ų135.483%0.82667%0.672SS**PPolyproline II helixtrans-100.9144176.1-66.7-174.4178.8-174.70110.3K6K6-K8 PolarHBondContact O-N 3.07Å; K6-K8 VanDerWaalsContact O-N 3.15Å
9L84.1Confident75.6Confident114 Ų114131.4 Ų131.460%0.59765%0.653SS**PPolyproline II helixtrans-69.3155.6172.5-63.4175.9000110.8L13 L14L9-L13 HydrophobicContact CB-CD2 4.46Å; L9-L13 HydrophobicContact CD1-CD2 4.48Å; L9-L13 HydrophobicContact CD2-CD2 4.12Å; L9-L14 HydrophobicContact CB-CD1 4.37Å; L9-L14 HydrophobicContact CD1-CD1 4.43Å
10S87.9Confident76.1Confident73 Ų73129.4 Ų129.451%0.5164%0.641SS.*PPolyproline II helixtrans-71.1147.9178.171.40000111.6N12 L13 L14S10-N12 VanDerWaalsContact C-N 3.3Å; S10-N12 PolarHBondContact O-N 3.21Å; S10-L13 PolarHBondContact O-N 3.27Å; S10-L13 WeakPolarHBondContact OG-CB 3.15Å; S10-L13 PolarHBondContact OG-N 3.39Å; S10-L14 PolarHBondContact O-N 3.13Å
11K84.9Confident76.5Confident113 Ų113134.8 Ų134.849%0.49165%0.654SS.*Hα-helixtrans-60.4-38.2179.8-65.1-176.7173.5-169.70112.8L13 L14 R15 L31 E34K11-L13 VanDerWaalsContact C-N 3.34Å; K11-L13 PolarHBondContact O-N 3.43Å; K11-L14 WeakPolarHBondContact O-CB 3.4Å; K11-L14 PolarHBondContact O-N 3.18Å; K11-R15 WeakPolarHBondContact O-CB 3.23Å; K11-R15 PolarHBondContact O-N 3.41Å; K11-L31 HydrophobicContact CB-CD2 4.22Å; K11-L31 HydrophobicContact CG-CD2 4.45Å; K11-E34 IonicContact NZ-OE1 3.06Å; K11-E34 PolarHBondContact NZ-OE1 3.21Å; K11-E34 IonicContact NZ-OE2 2.74Å; K11-E34 PolarHBondContact NZ-OE2 3.01Å
12N86.6Confident78.7Confident124 Ų124126.6 Ų126.666%0.66363%0.632SS**Hα-helixtrans-63.6-38.3177.1-72.8-10.4000112.5S10 M16S10-N12 VanDerWaalsContact C-N 3.3Å; S10-N12 PolarHBondContact O-N 3.21Å; N12-M16 WeakPolarHBondContact O-CE 3.49Å
13L87.1Confident80.4Confident69 Ų69123.1 Ų123.136%0.36160%0.599SS.*Hα-helixtrans-68.4-42.5174.7-177.265.4000110.8L9 S10 K11 R15 M16 F18 M19L9-L13 HydrophobicContact CB-CD2 4.46Å; L9-L13 HydrophobicContact CD1-CD2 4.48Å; L9-L13 HydrophobicContact CD2-CD2 4.12Å; S10-L13 PolarHBondContact O-N 3.27Å; S10-L13 WeakPolarHBondContact OG-CB 3.15Å; S10-L13 PolarHBondContact OG-N 3.39Å; K11-L13 VanDerWaalsContact C-N 3.34Å; K11-L13 PolarHBondContact O-N 3.43Å; L13-R15 PolarHBondContact O-N 2.8Å; L13-M16 VanDerWaalsContact O-CB 3.27Å; L13-M16 WeakPolarHBondContact O-CB 3.27Å; L13-M16 WeakPolarHBondContact O-CG 3.4Å; L13-M16 PolarHBondContact O-N 3.5Å; L13-M16 VanDerWaalsContact O-N 3.09Å; L13-F18 HydrophobicContact CD1-CZ 4.23Å; L13-M19 WeakPolarHBondContact O-CG 3.48Å
14L86.9Confident81.9Confident35 Ų35123.8 Ų123.818%0.18360%0.595CS.*Hα-helixtrans-61.9-29.9178.7-141.968.4000113.1L9 S10 K11 M16 L23 L31L9-L14 HydrophobicContact CB-CD1 4.37Å; L9-L14 HydrophobicContact CD1-CD1 4.43Å; S10-L14 PolarHBondContact O-N 3.13Å; K11-L14 WeakPolarHBondContact O-CB 3.4Å; K11-L14 PolarHBondContact O-N 3.18Å; L14-M16 VanDerWaalsContact C-N 3.26Å; L14-M16 PolarHBondContact O-N 3.36Å; L14-L23 HydrophobicContact CD1-CD1 3.47Å; L14-L23 VanDerWaalsContact CD1-CD1 3.47Å; L14-L23 HydrophobicContact CD1-CG 4.43Å; L14-L23 HydrophobicContact CD2-CD1 4.14Å; L14-L23 HydrophobicContact CD2-CD2 3.86Å; L14-L23 HydrophobicContact CD2-CG 4.33Å; L14-L23 HydrophobicContact CG-CD1 3.4Å; L14-L23 HydrophobicContact CG-CD2 3.86Å; L14-L23 HydrophobicContact CG-CG 4.09Å; L14-L31 HydrophobicContact CB-CD1 4.18Å; L14-L31 HydrophobicContact CD2-CD1 4.2Å; L14-L31 HydrophobicContact CG-CD1 4.34Å
15R84.7Confident83Confident117 Ų117119.2 Ų119.244%0.44258%0.583SS.*THydrogen-bonded Turntrans-70.7-18.1176.7-163.9174-176.6-163.5-1.2113.4K11 L13 Q20 E35K11-R15 WeakPolarHBondContact O-CB 3.23Å; K11-R15 PolarHBondContact O-N 3.41Å; L13-R15 PolarHBondContact O-N 2.8Å; R15-Q20 PolarHBondContact O-NE2 3.37Å; R15-Q20 VanDerWaalsContact O-NE2 3.07Å; R15-E35 IonicContact CZ-OE1 3.7Å; R15-E35 IonicContact NE-OE1 3.39Å; R15-E35 PolarHBondContact NE-OE1 2.89Å; R15-E35 IonicContact NH2-OE1 2.72Å; R15-E35 PolarHBondContact NH2-OE1 2.89Å
16M89.9Confident83.6Confident88 Ų88114.6 Ų114.643%0.43357%0.571SS.*SBendtrans-64138.5-178.8-65-66.7104.400111.9N12 L13 L14 F18 M19 Q20N12-M16 WeakPolarHBondContact O-CE 3.49Å; L13-M16 VanDerWaalsContact O-CB 3.27Å; L13-M16 WeakPolarHBondContact O-CB 3.27Å; L13-M16 WeakPolarHBondContact O-CG 3.4Å; L13-M16 PolarHBondContact O-N 3.5Å; L13-M16 VanDerWaalsContact O-N 3.09Å; L14-M16 VanDerWaalsContact C-N 3.26Å; L14-M16 PolarHBondContact O-N 3.36Å; M16-F18 HydrophobicContact CB-CD1 3.73Å; M16-F18 HydrophobicContact CB-CE1 3.34Å; M16-F18 HydrophobicContact CB-CZ 3.83Å; M16-F18 HydrophobicContact CG-CE1 3.78Å; M16-F18 HydrophobicContact CG-CZ 4.13Å; M16-F18 PolarHBondContact O-N 3.22Å; M16-M19 WeakPolarHBondContact O-CB 3.29Å; M16-M19 PolarHBondContact O-N 3.36Å; M16-Q20 PolarHBondContact O-N 3.03Å
17K88.9Confident84.3Confident179 Ų179107.9 Ų107.978%0.77855%0.546SS*.THydrogen-bonded Turntrans-51.9-35.1-175.7-67.8-175.5177.6-179.50114.1Q20K17-Q20 PolarHBondContact O-N 2.61Å
18F88.5Confident84.7Confident137 Ų137105.3 Ų105.360%0.60152%0.522SS*.THydrogen-bonded Turntrans-74.7-24.1-179.965.2-93.1000113.4L13 M16L13-F18 HydrophobicContact CD1-CZ 4.23Å; M16-F18 HydrophobicContact CB-CD1 3.73Å; M16-F18 HydrophobicContact CB-CE1 3.34Å; M16-F18 HydrophobicContact CB-CZ 3.83Å; M16-F18 HydrophobicContact CG-CE1 3.78Å; M16-F18 HydrophobicContact CG-CZ 4.13Å; M16-F18 PolarHBondContact O-N 3.22Å
19M87.8Confident84.9Confident60 Ų60102.2 Ų102.230%0.29651%0.508SS..THydrogen-bonded Turntrans-81.9-26.1174-68.2-75.293.200112.1L13 M16 R21 G22 L23L13-M19 WeakPolarHBondContact O-CG 3.48Å; M16-M19 WeakPolarHBondContact O-CB 3.29Å; M16-M19 PolarHBondContact O-N 3.36Å; M19-R21 VanDerWaalsContact C-N 3.28Å; M19-R21 PolarHBondContact O-N 3.4Å; M19-G22 PolarHBondContact O-N 3.22Å; M19-L23 HydrophobicContact CB-CD1 4.36Å; M19-L23 VanDerWaalsContact O-CD1 3.3Å; M19-L23 WeakPolarHBondContact O-CD1 3.32Å; M19-L23 PolarHBondContact O-N 2.85Å
20Q84.6Confident85Confident90 Ų90102 Ų10242%0.42150%0.504SS..THydrogen-bonded Turntrans-63.6-25.3-175.4-68.2-178.9-5.300115.1R15 M16 K17R15-Q20 PolarHBondContact O-NE2 3.37Å; R15-Q20 VanDerWaalsContact O-NE2 3.07Å; M16-Q20 PolarHBondContact O-N 3.03Å; K17-Q20 PolarHBondContact O-N 2.61Å
21R85.4Confident84.9Confident244 Ų24499.9 Ų99.992%0.92149%0.487SS*.THydrogen-bonded Turntrans-74.4-33.2-179.9-72.4-176.3177.5177.1-1113.4M19M19-R21 VanDerWaalsContact C-N 3.28Å; M19-R21 PolarHBondContact O-N 3.4Å
22G80.8Confident85Confident73 Ų7398.1 Ų98.175%0.75348%0.481SS*.SBendtrans-100.810.6-178.200000113.3M19M19-G22 PolarHBondContact O-N 3.22Å
23L83.1Confident85Confident31 Ų3197.1 Ų97.116%0.16247%0.472CS..SBendtrans-82140.3-178.5-129.786.6000111.4L14 M19 S25 T27 K28 L31L14-L23 HydrophobicContact CD1-CD1 3.47Å; L14-L23 VanDerWaalsContact CD1-CD1 3.47Å; L14-L23 HydrophobicContact CD1-CG 4.43Å; L14-L23 HydrophobicContact CD2-CD1 4.14Å; L14-L23 HydrophobicContact CD2-CD2 3.86Å; L14-L23 HydrophobicContact CD2-CG 4.33Å; L14-L23 HydrophobicContact CG-CD1 3.4Å; L14-L23 HydrophobicContact CG-CD2 3.86Å; L14-L23 HydrophobicContact CG-CG 4.09Å; M19-L23 HydrophobicContact CB-CD1 4.36Å; M19-L23 VanDerWaalsContact O-CD1 3.3Å; M19-L23 WeakPolarHBondContact O-CD1 3.32Å; M19-L23 PolarHBondContact O-N 2.85Å; L23-S25 PolarHBondContact O-N 3.4Å; L23-T27 WeakPolarHBondContact CD2-OG1 3.24Å; L23-T27 VanDerWaalsContact CG-OG1 3.29Å; L23-T27 WeakPolarHBondContact CG-OG1 3.45Å; L23-K28 HydrophobicContact CD2-CB 4.24Å; L23-L31 HydrophobicContact CD2-CD1 4.21Å
24D82.4Confident85Confident119 Ų11997.4 Ų97.464%0.63647%0.471SS*.  trans-60.6136.1168.7-65.5-33.5000109.9E26 T27 K28D24-E26 PolarHBondContact O-N 2.84Å; D24-E26 VanDerWaalsContact O-N 3.1Å; D24-T27 HydrophobicContact CB-CG2 4.37Å; D24-T27 PolarHBondContact N-OG1 3.26Å; D24-T27 PolarHBondContact O-N 3.01Å; D24-T27 PolarHBondContact O-OG1 3.43Å; D24-K28 PolarHBondContact O-N 2.93Å
25S79.1Confident84.8Confident83 Ų8398.9 Ų98.958%0.5848%0.477SS*.Hα-helixtrans-54.7-33.2-178.265.70000112.9L23 K28 K29L23-S25 PolarHBondContact O-N 3.4Å; S25-K28 PolarHBondContact O-N 3.11Å; S25-K29 WeakPolarHBondContact O-CG 3.44Å; S25-K29 PolarHBondContact O-N 3.05Å
26E77.5Confident84.9Confident140 Ų14099.9 Ų99.965%0.65449%0.485SS*.Hα-helixtrans-65.9-44.6176-61-171.8164.500112.4D24 K28 K29 Q30D24-E26 PolarHBondContact O-N 2.84Å; D24-E26 VanDerWaalsContact O-N 3.1Å; E26-K28 VanDerWaalsContact C-N 3.3Å; E26-K28 PolarHBondContact O-N 3.46Å; E26-K29 PolarHBondContact O-N 3.12Å; E26-Q30 WeakPolarHBondContact O-CG 3.26Å; E26-Q30 PolarHBondContact O-N 3.34Å; E26-Q30 VanDerWaalsContact O-N 3.09Å
27T81.9Confident84.7Confident42 Ų42101.8 Ų101.826%0.25849%0.491SS..Hα-helixtrans-68.8-31.5178.557.70000112.2L23 D24 L31L23-T27 WeakPolarHBondContact CD2-OG1 3.24Å; L23-T27 VanDerWaalsContact CG-OG1 3.29Å; L23-T27 WeakPolarHBondContact CG-OG1 3.45Å; D24-T27 HydrophobicContact CB-CG2 4.37Å; D24-T27 PolarHBondContact N-OG1 3.26Å; D24-T27 PolarHBondContact O-N 3.01Å; D24-T27 PolarHBondContact O-OG1 3.43Å; T27-L31 WeakPolarHBondContact O-CG 3.35Å; T27-L31 PolarHBondContact O-N 3.11Å
28K84.6Confident84.4Confident91 Ų9198 Ų9840%0.39648%0.477SS..Hα-helixtrans-67.6-45.2174.4-170.7-175.6-179.2-159.50111.1L23 D24 S25 E26 Q30 L31 E32L23-K28 HydrophobicContact CD2-CB 4.24Å; D24-K28 PolarHBondContact O-N 2.93Å; S25-K28 PolarHBondContact O-N 3.11Å; E26-K28 VanDerWaalsContact C-N 3.3Å; E26-K28 PolarHBondContact O-N 3.46Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.19Å; K28-L31 PolarHBondContact O-N 3.45Å; K28-E32 WeakPolarHBondContact CE-OE1 3.48Å; K28-E32 IonicContact NZ-OE1 2.89Å; K28-E32 WeakPolarHBondContact O-CG 3.41Å; K28-E32 PolarHBondContact O-N 3.36Å
29K86.7Confident84.1Confident124 Ų12496.8 Ų96.854%0.53948%0.476SS..Hα-helixtrans-58.1-43.6175.6-76177179.2-177.10112S25 E26 L31 E32 E33S25-K29 WeakPolarHBondContact O-CG 3.44Å; S25-K29 PolarHBondContact O-N 3.05Å; E26-K29 PolarHBondContact O-N 3.12Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.36Å; K29-E32 PolarHBondContact O-N 3.09Å; K29-E33 WeakPolarHBondContact O-CB 3.38Å; K29-E33 WeakPolarHBondContact O-CG 3.29Å; K29-E33 PolarHBondContact O-N 3.39Å
30Q85.6Confident83.8Confident109 Ų10997.3 Ų97.351%0.50949%0.486SS..Hα-helixtrans-60-41.9177.1-71.6171.715.300112.5E26 K28 E33 E34E26-Q30 WeakPolarHBondContact O-CG 3.26Å; E26-Q30 PolarHBondContact O-N 3.34Å; E26-Q30 VanDerWaalsContact O-N 3.09Å; K28-Q30 VanDerWaalsContact C-N 3.32Å; K28-Q30 PolarHBondContact O-N 3.19Å; Q30-E33 PolarHBondContact O-N 3.15Å; Q30-E34 WeakPolarHBondContact O-CG 3.32Å; Q30-E34 PolarHBondContact O-N 3.24Å
31L85.4Confident83.7Confident30 Ų3099.6 Ų99.616%0.15750%0.501CS..Hα-helixtrans-66.9-42176.5-69.5174.8000112.1K11 L14 L23 T27 K28 K29 E33 E34 E35K11-L31 HydrophobicContact CB-CD2 4.22Å; K11-L31 HydrophobicContact CG-CD2 4.45Å; L14-L31 HydrophobicContact CB-CD1 4.18Å; L14-L31 HydrophobicContact CD2-CD1 4.2Å; L14-L31 HydrophobicContact CG-CD1 4.34Å; L23-L31 HydrophobicContact CD2-CD1 4.21Å; T27-L31 WeakPolarHBondContact O-CG 3.35Å; T27-L31 PolarHBondContact O-N 3.11Å; K28-L31 PolarHBondContact O-N 3.45Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.36Å; L31-E33 VanDerWaalsContact C-N 3.35Å; L31-E34 PolarHBondContact O-N 2.85Å; L31-E35 WeakPolarHBondContact O-CG 2.98Å; L31-E35 PolarHBondContact O-N 3.49Å
32E86.8Confident83.8Confident75 Ų7595.4 Ų95.435%0.3549%0.491SS..Hα-helixtrans-65-38176.6-71.6175.4-169.700111.9K28 K29 E35 K36K28-E32 WeakPolarHBondContact CE-OE1 3.48Å; K28-E32 IonicContact NZ-OE1 2.89Å; K28-E32 WeakPolarHBondContact O-CG 3.41Å; K28-E32 PolarHBondContact O-N 3.36Å; K29-E32 PolarHBondContact O-N 3.09Å; E32-E35 PolarHBondContact O-N 3.26Å; E32-K36 WeakPolarHBondContact O-CB 3.36Å; E32-K36 VanDerWaalsContact O-CG 3.29Å; E32-K36 WeakPolarHBondContact O-CG 3.06Å; E32-K36 PolarHBondContact O-N 3.4Å
33E88.4Confident83.9Confident103 Ų10396.7 Ų96.748%0.48148%0.478SS..Hα-helixtrans-65.9-40174-75.6171.3-160.500112K29 Q30 L31 E35 K36 K37K29-E33 WeakPolarHBondContact O-CB 3.38Å; K29-E33 WeakPolarHBondContact O-CG 3.29Å; K29-E33 PolarHBondContact O-N 3.39Å; Q30-E33 PolarHBondContact O-N 3.15Å; L31-E33 VanDerWaalsContact C-N 3.35Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E33-K36 PolarHBondContact O-N 3Å; E33-K37 WeakPolarHBondContact O-CB 3.24Å; E33-K37 VanDerWaalsContact O-CG 3.24Å; E33-K37 WeakPolarHBondContact O-CG 3.41Å; E33-K37 PolarHBondContact O-N 3.42Å
34E85.4Confident84.1Confident75 Ų75104.8 Ų104.835%0.3551%0.506SS..Hα-helixtrans-63.9-39.1174.1-75.3178-174.400111.7K11 Q30 L31 K37 M38K11-E34 IonicContact NZ-OE1 3.06Å; K11-E34 PolarHBondContact NZ-OE1 3.21Å; K11-E34 IonicContact NZ-OE2 2.74Å; K11-E34 PolarHBondContact NZ-OE2 3.01Å; Q30-E34 WeakPolarHBondContact O-CG 3.32Å; Q30-E34 PolarHBondContact O-N 3.24Å; L31-E34 PolarHBondContact O-N 2.85Å; E34-K37 PolarHBondContact O-N 3.46Å; E34-M38 WeakPolarHBondContact O-CG 3.45Å; E34-M38 PolarHBondContact O-N 3.41Å
35E83.9Confident83.9Confident66 Ų66107.5 Ų107.531%0.30851%0.509SS..Hα-helixtrans-65.1-45.5172.9-72.7-178.2163.800112R15 L31 E32 E33 K37 M38 I39R15-E35 IonicContact CZ-OE1 3.7Å; R15-E35 IonicContact NE-OE1 3.39Å; R15-E35 PolarHBondContact NE-OE1 2.89Å; R15-E35 IonicContact NH2-OE1 2.72Å; R15-E35 PolarHBondContact NH2-OE1 2.89Å; L31-E35 WeakPolarHBondContact O-CG 2.98Å; L31-E35 PolarHBondContact O-N 3.49Å; E32-E35 PolarHBondContact O-N 3.26Å; E33-E35 VanDerWaalsContact C-N 3.34Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-K37 PolarHBondContact O-N 3.07Å; E35-M38 PolarHBondContact O-N 2.99Å; E35-I39 WeakPolarHBondContact O-CG1 3.49Å; E35-I39 PolarHBondContact O-N 3.05Å
36K86.3Confident84.1Confident139 Ų139109.4 Ų109.460%0.60451%0.512SS*.Hα-helixtrans-62.1-36.2176-74.6175.8-178.3-178.90112.2E32 E33 I39 S40E32-K36 WeakPolarHBondContact O-CB 3.36Å; E32-K36 VanDerWaalsContact O-CG 3.29Å; E32-K36 WeakPolarHBondContact O-CG 3.06Å; E32-K36 PolarHBondContact O-N 3.4Å; E33-K36 PolarHBondContact O-N 3Å; K36-I39 PolarHBondContact O-N 2.99Å; K36-S40 VanDerWaalsContact O-CB 3.26Å; K36-S40 WeakPolarHBondContact O-CB 3.45Å; K36-S40 PolarHBondContact O-N 3.32Å
37K86.4Confident84.1Confident127 Ų127107.8 Ų107.855%0.55251%0.508SS*.Hα-helixtrans-63.8-48.4174-78173.3-177.71800111.2E33 E34 E35 I39 S40 D41E33-K37 WeakPolarHBondContact O-CB 3.24Å; E33-K37 VanDerWaalsContact O-CG 3.24Å; E33-K37 WeakPolarHBondContact O-CG 3.41Å; E33-K37 PolarHBondContact O-N 3.42Å; E34-K37 PolarHBondContact O-N 3.46Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-K37 PolarHBondContact O-N 3.07Å; K37-I39 VanDerWaalsContact C-N 3.3Å; K37-I39 PolarHBondContact O-N 3.44Å; K37-S40 CarbonylContact O-C 3.59Å; K37-S40 PolarHBondContact O-N 2.71Å; K37-S40 VanDerWaalsContact O-N 3.12Å; K37-D41 WeakPolarHBondContact O-CB 3.38Å; K37-D41 PolarHBondContact O-N 3.25Å
38M81.5Confident84Confident101 Ų101110 Ų11050%0.49852%0.517SS..Hα-helixtrans-58.1-43.6176.1-71.2-167.4-65.500112E34 E35 D41 E42E34-M38 WeakPolarHBondContact O-CG 3.45Å; E34-M38 PolarHBondContact O-N 3.41Å; E35-M38 PolarHBondContact O-N 2.99Å; M38-D41 PolarHBondContact O-N 3.02Å; M38-E42 WeakPolarHBondContact O-CG 3.29Å; M38-E42 PolarHBondContact O-N 3.1Å; M38-E42 VanDerWaalsContact O-N 3.11Å
39I83.5Confident83.7Confident110 Ų110110.7 Ų110.756%0.56453%0.532SS*.Hα-helixtrans-64.4-42.4176.7-64.3163.6000111E35 K36 K37 D41 E42 H43E35-I39 WeakPolarHBondContact O-CG1 3.49Å; E35-I39 PolarHBondContact O-N 3.05Å; K36-I39 PolarHBondContact O-N 2.99Å; K37-I39 VanDerWaalsContact C-N 3.3Å; K37-I39 PolarHBondContact O-N 3.44Å; I39-D41 VanDerWaalsContact C-N 3.33Å; I39-E42 PolarHBondContact O-N 3.18Å; I39-H43 VanDerWaalsContact O-CB 3.24Å; I39-H43 WeakPolarHBondContact O-CB 3.47Å; I39-H43 PolarHBondContact O-N 3.42Å
40S79.8Confident83.1Confident72 Ų72111.6 Ų111.650%0.50354%0.538SS..Hα-helixtrans-65.6-35.9177.9-1740000112.5K36 K37 E42 H43K36-S40 VanDerWaalsContact O-CB 3.26Å; K36-S40 WeakPolarHBondContact O-CB 3.45Å; K36-S40 PolarHBondContact O-N 3.32Å; K37-S40 CarbonylContact O-C 3.59Å; K37-S40 PolarHBondContact O-N 2.71Å; K37-S40 VanDerWaalsContact O-N 3.12Å; S40-E42 VanDerWaalsContact C-N 3.32Å; S40-H43 PolarHBondContact O-N 3.48Å
41D84.2Confident82.2Confident138 Ų138112.9 Ų112.974%0.73854%0.542SS*.Hα-helixtrans-71.2-31.1179.1-67.3-15.9000111K37 M38 I39K37-D41 WeakPolarHBondContact O-CB 3.38Å; K37-D41 PolarHBondContact O-N 3.25Å; M38-D41 PolarHBondContact O-N 3.02Å; I39-D41 VanDerWaalsContact C-N 3.33Å
42E86Confident81.2Confident155 Ų155117.3 Ų117.372%0.72456%0.56SS**Hα-helixtrans-81.5-22.5173.6-70.1175.6-174.900113.2M38 I39 S40 W44M38-E42 WeakPolarHBondContact O-CG 3.29Å; M38-E42 PolarHBondContact O-N 3.1Å; M38-E42 VanDerWaalsContact O-N 3.11Å; I39-E42 PolarHBondContact O-N 3.18Å; S40-E42 VanDerWaalsContact C-N 3.32Å; E42-W44 PolarHBondContact O-N 3.36Å; E42-W44 VanDerWaalsContact O-N 3.11Å
43H84.4Confident80.3Confident101 Ų101122.5 Ų122.547%0.46858%0.584SS.*  trans-79.896.9-177.7-167.875.4000110.6I39 S40 Y45I39-H43 VanDerWaalsContact O-CB 3.24Å; I39-H43 WeakPolarHBondContact O-CB 3.47Å; I39-H43 PolarHBondContact O-N 3.42Å; S40-H43 PolarHBondContact O-N 3.48Å; H43-Y45 AromaticContact CD2-CE1 3.56Å; H43-Y45 AromaticContact CD2-CE2 3.48Å; H43-Y45 VanDerWaalsContact CD2-CE2 3.48Å; H43-Y45 WeakPolarHBondContact CD2-CE2 3.22Å; H43-Y45 AromaticContact CD2-CZ 3.15Å; H43-Y45 PolarHBondContact CD2-OH 3.32Å; H43-Y45 VanDerWaalsContact CD2-OH 3.22Å; H43-Y45 AromaticContact NE2-CD1 3.96Å; H43-Y45 AromaticContact NE2-CE1 3.29Å; H43-Y45 VanDerWaalsContact NE2-CE1 3.29Å; H43-Y45 WeakPolarHBondContact NE2-CE1 3.47Å; H43-Y45 AromaticContact NE2-CZ 3.41Å; H43-Y45 PolarHBondContact NE2-OH 3.45Å
44W86.3Confident79.7Confident201 Ų201124.5 Ų124.576%0.76159%0.591SS**  trans-83.2140.8174.264.1-84.6000110.7E42 L46E42-W44 PolarHBondContact O-N 3.36Å; E42-W44 VanDerWaalsContact O-N 3.11Å; W44-L46 HydrophobicContact CZ3-CB 3.99Å
45Y78.7Confident79.2Confident175 Ų175128.7 Ų128.769%0.68661%0.611SS**  trans-107.3140.7174-66-84.4000110.3H43H43-Y45 AromaticContact CD2-CE1 3.56Å; H43-Y45 AromaticContact CD2-CE2 3.48Å; H43-Y45 VanDerWaalsContact CD2-CE2 3.48Å; H43-Y45 WeakPolarHBondContact CD2-CE2 3.22Å; H43-Y45 AromaticContact CD2-CZ 3.15Å; H43-Y45 PolarHBondContact CD2-OH 3.32Å; H43-Y45 VanDerWaalsContact CD2-OH 3.22Å; H43-Y45 AromaticContact NE2-CD1 3.96Å; H43-Y45 AromaticContact NE2-CE1 3.29Å; H43-Y45 VanDerWaalsContact NE2-CE1 3.29Å; H43-Y45 WeakPolarHBondContact NE2-CE1 3.47Å; H43-Y45 AromaticContact NE2-CZ 3.41Å; H43-Y45 PolarHBondContact NE2-OH 3.45Å
46L83.2Confident79Confident123 Ų123129.1 Ų129.164%0.64462%0.621SS**  trans-97.7108.6167.8-172.261.7000109.5W44 L48W44-L46 HydrophobicContact CZ3-CB 3.99Å; L46-L48 HydrophobicContact CD2-CD1 4.33Å; L46-L48 HydrophobicContact CD2-CD2 4.19Å; L46-L48 HydrophobicContact CD2-CG 4.21Å; L46-L48 HydrophobicContact CG-CD2 4.25Å; L46-L48 HydrophobicContact CG-CG 4.14Å; L46-L48 PolarHBondContact O-N 2.96Å
47D77.2Confident78.8Confident106 Ų106132.1 Ų132.157%0.56764%0.635SS**  trans-78.3102.9176.8-84.3-12.8000110.6P49 K52D47-P49 WeakPolarHBondContact O-CD 3.3Å; D47-K52 VanDerWaalsContact CB-CE 3.49Å; D47-K52 WeakPolarHBondContact OD1-CE 3.46Å; D47-K52 IonicContact OD1-NZ 3.2Å; D47-K52 PolarHBondContact OD1-NZ 3.23Å; D47-K52 IonicContact OD2-NZ 2.78Å; D47-K52 PolarHBondContact OD2-NZ 3.23Å
48L80.3Confident78.8Confident88 Ų88132.4 Ų132.446%0.46164%0.64SS.*  trans-102.8100.8171.1-65.3175.3000109.6L46 E50 F51 K52L46-L48 HydrophobicContact CD2-CD1 4.33Å; L46-L48 HydrophobicContact CD2-CD2 4.19Å; L46-L48 HydrophobicContact CD2-CG 4.21Å; L46-L48 HydrophobicContact CG-CD2 4.25Å; L46-L48 HydrophobicContact CG-CG 4.14Å; L46-L48 PolarHBondContact O-N 2.96Å; L48-E50 PolarHBondContact O-N 3.45Å; L48-F51 HydrophobicContact CB-CB 4.44Å; L48-F51 HydrophobicContact CB-CD2 4.15Å; L48-F51 HydrophobicContact CD1-CD2 4.29Å; L48-F51 PolarHBondContact O-N 2.7Å; L48-K52 WeakPolarHBondContact O-CG 3.43Å; L48-K52 PolarHBondContact O-N 3.23Å
49P77.5Confident79Confident107 Ų107133.1 Ų133.170%0.69565%0.645SS**THydrogen-bonded Turntrans-55.5-29.6-175-25.334000114.2D47 F51D47-P49 WeakPolarHBondContact O-CD 3.3Å; P49-F51 VanDerWaalsContact C-N 3.29Å; P49-F51 PolarHBondContact O-N 2.74Å
50E74.8Confident79.2Confident143 Ų143136.8 Ų136.867%0.66866%0.66SS**THydrogen-bonded Turntrans-73.2-17.9-179-63.1-177175.500114.5L48 K54L48-E50 PolarHBondContact O-N 3.45Å; E50-K54 VanDerWaalsContact O-CD 3.27Å; E50-K54 WeakPolarHBondContact O-CD 3.37Å; E50-K54 VanDerWaalsContact O-CE 3.23Å; E50-K54 WeakPolarHBondContact O-CE 3.42Å; E50-K54 PolarHBondContact O-NZ 3.3Å
51F67Low79.4Confident135 Ų135138.9 Ų138.959%0.59266%0.662SS**THydrogen-bonded Turntrans-116.6-8.4-176-68.9-80.6000113.4L48 P49 E53 K54L48-F51 HydrophobicContact CB-CB 4.44Å; L48-F51 HydrophobicContact CB-CD2 4.15Å; L48-F51 HydrophobicContact CD1-CD2 4.29Å; L48-F51 PolarHBondContact O-N 2.7Å; P49-F51 VanDerWaalsContact C-N 3.29Å; P49-F51 PolarHBondContact O-N 2.74Å; F51-E53 PolarHBondContact O-N 3.45Å; F51-K54 PolarHBondContact O-N 3.43Å
52K64.9Low79.6Confident123 Ų123141.6 Ų141.654%0.53567%0.67SS.*THydrogen-bonded Turntrans-60.8-29179.5-80.4-174.8177-167.20113.8D47 L48D47-K52 VanDerWaalsContact CB-CE 3.49Å; D47-K52 WeakPolarHBondContact OD1-CE 3.46Å; D47-K52 IonicContact OD1-NZ 3.2Å; D47-K52 PolarHBondContact OD1-NZ 3.23Å; D47-K52 IonicContact OD2-NZ 2.78Å; D47-K52 PolarHBondContact OD2-NZ 3.23Å; L48-K52 WeakPolarHBondContact O-CG 3.43Å; L48-K52 PolarHBondContact O-N 3.23Å
53E66.8Low79.6Confident185 Ų185136.8 Ų136.886%0.86465%0.653SS**THydrogen-bonded Turntrans-112-3.1-174-62.3178-176.900112.9F51 E55F51-E53 PolarHBondContact O-N 3.45Å; E53-E55 PolarHBondContact O-N 3.41Å
54K74.9Confident79.6Confident145 Ų145139 Ų13963%0.6366%0.662SS**  trans-99.183.2-177-65.3-176.9-171.8160.30109.5E50 F51E50-K54 VanDerWaalsContact O-CD 3.27Å; E50-K54 WeakPolarHBondContact O-CD 3.37Å; E50-K54 VanDerWaalsContact O-CE 3.23Å; E50-K54 WeakPolarHBondContact O-CE 3.42Å; E50-K54 PolarHBondContact O-NZ 3.3Å; F51-K54 PolarHBondContact O-N 3.43Å
55E75.5Confident79.4Confident162 Ų162133.1 Ų133.176%0.75765%0.652SS**  trans-65.4150.2162.8-165.755.4-118.900109.5E53 F57E53-E55 PolarHBondContact O-N 3.41Å; E55-F57 PolarHBondContact O-N 2.84Å; E55-F57 VanDerWaalsContact O-N 3.13Å
56S79.8Confident79.6Confident76 Ų76130.7 Ų130.753%0.53165%0.65SS.*  trans-64.8116.3178.9-62.50000109.7I58S56-I58 VanDerWaalsContact C-N 3.27Å; S56-I58 PolarHBondContact O-N 2.96Å
57F82.1Confident79.5Confident202 Ų202130.4 Ų130.489%0.88666%0.657SS**SBendtrans-67.2-30.3-179-174.3-107000112.5E55E55-F57 PolarHBondContact O-N 2.84Å; E55-F57 VanDerWaalsContact O-N 3.13Å
58I87.4Confident79.5Confident132 Ų132130.7 Ų130.768%0.67766%0.655SS**  trans-134130.4177.3-59.4164.3000107.5S56S56-I58 VanDerWaalsContact C-N 3.27Å; S56-I58 PolarHBondContact O-N 2.96Å
59I86Confident79.5Confident117 Ų117133.5 Ų133.560%0.667%0.67SS**  trans-114.4118.8176-57.7172.8000106.8E61I59-E61 HydrophobicContact CG2-CG 4.02Å; I59-E61 PolarHBondContact O-N 3.09Å
60E86.1Confident79.8Confident186 Ų186132.5 Ų132.587%0.86966%0.659SS**  trans-83.6106.3174.6-67.5-178.7-178.300109
61E85.2Confident80.3Confident117 Ų117131.1 Ų131.155%0.54766%0.655SS.*  trans-102.9133.7172.2-69.2-154.3-171.600111.2I59 S63 L66I59-E61 HydrophobicContact CG2-CG 4.02Å; I59-E61 PolarHBondContact O-N 3.09Å; E61-S63 VanDerWaalsContact C-N 3.29Å; E61-L66 VanDerWaalsContact CD-CD1 3.45Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.3Å
62Q88.1Confident81.3Confident194 Ų194128.4 Ų128.491%0.90764%0.642SS**  trans-85.8-4.2176-63.2-177.7-6.400112.8
63S86.3Confident82.4Confident54 Ų54125.5 Ų125.538%0.37865%0.647SS.*  trans-88126.3-175.3-174.10000110.8E61 S65E61-S63 VanDerWaalsContact C-N 3.29Å; S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 3.49Å; S63-S65 PolarHBondContact OG-N 3.31Å; S63-S65 PolarHBondContact OG-OG 3.39Å
64F84.8Confident83.5Confident147 Ų147123.8 Ų123.865%0.64563%0.632SS**G310 helixtrans-76.3-14.4172.7-63.3-76.1000113.1L66 C67 E68F64-L66 PolarHBondContact O-N 2.76Å; F64-L66 VanDerWaalsContact O-N 3.09Å; F64-C67 PolarHBondContact O-N 3.34Å; F64-E68 PolarHBondContact O-N 3.21Å
65S81.9Confident84.1Confident79 Ų79121.8 Ų121.855%0.55263%0.626SS**G310 helixtrans-60.8-22-176.6-50.70000114.8S63S63-S65 VanDerWaalsContact C-N 3.26Å; S63-S65 PolarHBondContact O-N 3.49Å; S63-S65 PolarHBondContact OG-N 3.31Å; S63-S65 PolarHBondContact OG-OG 3.39Å
66L81.8Confident84.7Confident124 Ų124114.7 Ų114.765%0.64960%0.595SS**G310 helixtrans-84.6-27.5175.3-64.7-173000112.7E61 F64E61-L66 VanDerWaalsContact CD-CD1 3.45Å; E61-L66 WeakPolarHBondContact OE2-CD1 3.3Å; F64-L66 PolarHBondContact O-N 2.76Å; F64-L66 VanDerWaalsContact O-N 3.09Å
67C80.4Confident85.1Confident116 Ų116117.4 Ų117.478%0.78460%0.597SS**THydrogen-bonded Turntrans-96.2-27.5-174.7-62.30000112.4F64F64-C67 PolarHBondContact O-N 3.34Å
68E79.1Confident85.5Confident112 Ų112120.1 Ų120.152%0.52360%0.602SS.*SBendtrans-121.1130.3-175.6-168.6173.7-172.100109.6F64 L70F64-E68 PolarHBondContact O-N 3.21Å; E68-L70 HydrophobicContact CB-CD2 4.39Å; E68-L70 HydrophobicContact CB-CG 4.17Å; E68-L70 HydrophobicContact CG-CD2 3.91Å; E68-L70 HydrophobicContact CG-CG 4.16Å; E68-L70 PolarHBondContact O-N 3Å
69D79.6Confident85.5Confident147 Ų147116 Ų11679%0.78659%0.592SS**  trans-74.663.5179.2-69.4-39.7000111.6L71D69-L71 PolarHBondContact O-N 2.85Å
70L84.1Confident85.7Confident87 Ų87119.7 Ų119.746%0.45560%0.604SS.*PPolyproline II helixtrans-63.6129-175-67.2171.6000111.3E68E68-L70 HydrophobicContact CB-CD2 4.39Å; E68-L70 HydrophobicContact CB-CG 4.17Å; E68-L70 HydrophobicContact CG-CD2 3.91Å; E68-L70 HydrophobicContact CG-CG 4.16Å; E68-L70 PolarHBondContact O-N 3Å
71L85.4Confident85.9Confident114 Ų114113.1 Ų113.160%0.59758%0.575SS**PPolyproline II helixtrans-77.9159.3173.1-64.7173.3000111.5D69 G73 N92D69-L71 PolarHBondContact O-N 2.85Å; L71-G73 PolarHBondContact O-N 2.72Å; L71-G73 VanDerWaalsContact O-N 3.16Å; L71-N92 HydrophobicContact CD2-CB 4.14Å
72Y88.3Confident86.2Confident77 Ų77112 Ų11230%0.30258%0.578SS.*PPolyproline II helixtrans-62116.1172.7-173.4-111.4000111.1R74 L87 M91 N92Y72-R74 HydrophobicContact CD1-CB 4.31Å; Y72-R74 WeakPolarHBondContact CD1-O 3.49Å; Y72-R74 HydrophobicContact CE1-CB 3.62Å; Y72-R74 PolarHBondContact O-N 3.38Å; Y72-L87 HydrophobicContact CE1-CD2 3.71Å; Y72-L87 HydrophobicContact CE1-CG 3.8Å; Y72-L87 VanDerWaalsContact OH-CD2 3.32Å; Y72-L87 WeakPolarHBondContact OH-CD2 3.43Å; Y72-M91 HydrophobicContact CD1-CB 4.48Å; Y72-M91 HydrophobicContact CD2-CB 4.23Å; Y72-M91 HydrophobicContact CD2-CG 4.19Å; Y72-M91 HydrophobicContact CG-CB 3.93Å; Y72-M91 HydrophobicContact CG-CG 4.22Å; Y72-N92 WeakPolarHBondContact CB-OD1 3.49Å; Y72-N92 PolarHBondContact N-OD1 3.49Å
73G87Confident86.3Confident62 Ų62110.1 Ų110.164%0.63957%0.569SS**SBendtrans-70.5-23.4-168.700000115.9L71 M75L71-G73 PolarHBondContact O-N 2.72Å; L71-G73 VanDerWaalsContact O-N 3.16Å; G73-M75 PolarHBondContact O-N 3.22Å
74R89.2Confident86.5Confident149 Ų149107.9 Ų107.956%0.56255%0.553SS**  trans-83.6104.9179.9-174.8177.3162.3170.6-7.7109.6Y72 V84Y72-R74 HydrophobicContact CD1-CB 4.31Å; Y72-R74 WeakPolarHBondContact CD1-O 3.49Å; Y72-R74 HydrophobicContact CE1-CB 3.62Å; Y72-R74 PolarHBondContact O-N 3.38Å; R74-V84 HydrophobicContact CG-CG1 3.89Å; R74-V84 VanDerWaalsContact NH2-CG2 3.3Å
75M87.4Confident86.7Confident103 Ų103103.3 Ų103.351%0.50753%0.533SS..  trans-122141.1-175.753.6-179.166.600113.1G73 F77 M88G73-M75 PolarHBondContact O-N 3.22Å; M75-F77 HydrophobicContact CB-CE2 4.19Å; M75-F77 HydrophobicContact CB-CZ 4.07Å; M75-F77 HydrophobicContact CG-CE2 3.95Å; M75-F77 HydrophobicContact CG-CZ 4.09Å; M75-F77 HydrophobicContact SD-CE2 3.73Å; M75-F77 HydrophobicContact SD-CZ 3.54Å; M75-F77 VanDerWaalsContact SD-CZ 3.54Å; M75-M88 HydrophobicContact CB-CE 3.27Å
76S88.9Confident87Confident13 Ų13106.7 Ų106.79%0.09154%0.538CS..  trans-130.1152.1168530000108.7N81 V84 E85 M88S76-N81 PolarHBondContact OG-O 2.95Å; S76-V84 VanDerWaalsContact OG-CB 3.31Å; S76-V84 WeakPolarHBondContact OG-CB 3.27Å; S76-V84 WeakPolarHBondContact OG-CG1 3.44Å; S76-E85 WeakPolarHBondContact O-CG 3.47Å; S76-E85 WeakPolarHBondContact OG-CG 3.39Å; S76-E85 PolarHBondContact OG-N 3Å; S76-M88 WeakPolarHBondContact O-CE 3.1Å
77F88.4Confident87.4Confident134 Ų134103.2 Ų103.259%0.58852%0.52SS*.  trans-131.6154.9-178.1-57.4-76.1000110.1M75 G79 F80 E85 M88M75-F77 HydrophobicContact CB-CE2 4.19Å; M75-F77 HydrophobicContact CB-CZ 4.07Å; M75-F77 HydrophobicContact CG-CE2 3.95Å; M75-F77 HydrophobicContact CG-CZ 4.09Å; M75-F77 HydrophobicContact SD-CE2 3.73Å; M75-F77 HydrophobicContact SD-CZ 3.54Å; M75-F77 VanDerWaalsContact SD-CZ 3.54Å; F77-G79 PolarHBondContact O-N 3.37Å; F77-F80 PolarHBondContact O-N 3.42Å; F77-E85 WeakPolarHBondContact CA-OE1 3.23Å; F77-M88 HydrophobicContact CE1-CE 4.48Å
78R90Very high87.7Confident258 Ų25899.2 Ų99.297%0.97449%0.49SS*.THydrogen-bonded Turntrans57.232.3171.7-55.2-177.4176.3-169.1-1.3113.6F80 E85R78-F80 PolarHBondContact O-N 3.14Å; R78-E85 PolarHBondContact N-OE1 3.46Å; R78-E85 VanDerWaalsContact N-OE1 3.15Å
79G88.4Confident88.1Confident46 Ų4699.7 Ų99.747%0.47450%0.496SS..THydrogen-bonded Turntrans76.716.217500000114.8F77 N81 E85F77-G79 PolarHBondContact O-N 3.37Å; G79-N81 PolarHBondContact O-N 3.44Å; G79-E85 WeakPolarHBondContact CA-OE1 3.37Å; G79-E85 PolarHBondContact N-OE1 2.88Å
80F88.7Confident88.4Confident194 Ų19498.5 Ų98.585%0.85149%0.485SS*.SBendtrans-62.6-32.7177.8-167-97.8000112.3F77 R78F77-F80 PolarHBondContact O-N 3.42Å; R78-F80 PolarHBondContact O-N 3.14Å
81N91.5Very high88.5Confident49 Ų4998.3 Ų98.326%0.26248%0.483SS..  trans-149.699.6170-173.4-26.7000110.3S76 G79 E83 V84 E85S76-N81 PolarHBondContact OG-O 2.95Å; G79-N81 PolarHBondContact O-N 3.44Å; N81-E83 PolarHBondContact O-N 3.48Å; N81-E83 WeakPolarHBondContact OD1-CB 3.33Å; N81-E83 PolarHBondContact OD1-N 3.41Å; N81-E83 VanDerWaalsContact OD1-N 3.1Å; N81-V84 HydrophobicContact CB-CB 4.1Å; N81-V84 HydrophobicContact CB-CG2 4.13Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.14Å; N81-V84 PolarHBondContact O-N 3.32Å; N81-V84 VanDerWaalsContact O-N 3.13Å; N81-V84 PolarHBondContact OD1-N 3.2Å; N81-E85 PolarHBondContact O-N 2.95Å; N81-E85 VanDerWaalsContact O-N 3.09Å
82P91.1Very high88.5Confident93 Ų9394.1 Ų94.160%0.60446%0.461SS*.Hα-helixtrans-64.9-26.3-175.625.5-34000113.5K86P82-K86 WeakPolarHBondContact O-CB 3.26Å; P82-K86 PolarHBondContact O-N 3.49Å
83E89.7Confident87.8Confident154 Ų15493.4 Ų93.472%0.7247%0.468SS*.Hα-helixtrans-68.5-38176-61-173.7159.900111.4N81 L87N81-E83 PolarHBondContact O-N 3.48Å; N81-E83 WeakPolarHBondContact OD1-CB 3.33Å; N81-E83 PolarHBondContact OD1-N 3.41Å; N81-E83 VanDerWaalsContact OD1-N 3.1Å; E83-L87 WeakPolarHBondContact O-CB 3.38Å; E83-L87 PolarHBondContact O-N 3.03Å
84V90.4Very high86.8Confident7 Ų798.1 Ų98.14%0.04247%0.471CS..Hα-helixtrans-73.8-37177.8174.60000111.2R74 S76 N81 K86 L87 M88R74-V84 HydrophobicContact CG-CG1 3.89Å; R74-V84 VanDerWaalsContact NH2-CG2 3.3Å; S76-V84 VanDerWaalsContact OG-CB 3.31Å; S76-V84 WeakPolarHBondContact OG-CB 3.27Å; S76-V84 WeakPolarHBondContact OG-CG1 3.44Å; N81-V84 HydrophobicContact CB-CB 4.1Å; N81-V84 HydrophobicContact CB-CG2 4.13Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.14Å; N81-V84 PolarHBondContact O-N 3.32Å; N81-V84 VanDerWaalsContact O-N 3.13Å; N81-V84 PolarHBondContact OD1-N 3.2Å; V84-K86 VanDerWaalsContact C-N 3.34Å; V84-L87 PolarHBondContact O-N 3.41Å; V84-M88 WeakPolarHBondContact O-CB 3.49Å; V84-M88 PolarHBondContact O-N 3.09Å
85E88.4Confident85.4Confident51 Ų5194.2 Ų94.224%0.23846%0.461CS..Hα-helixtrans-62-43.8172.9-63-172.2169.400111.2S76 F77 R78 G79 N81 L87 M88 L89S76-E85 WeakPolarHBondContact O-CG 3.47Å; S76-E85 WeakPolarHBondContact OG-CG 3.39Å; S76-E85 PolarHBondContact OG-N 3Å; F77-E85 WeakPolarHBondContact CA-OE1 3.23Å; R78-E85 PolarHBondContact N-OE1 3.46Å; R78-E85 VanDerWaalsContact N-OE1 3.15Å; G79-E85 WeakPolarHBondContact CA-OE1 3.37Å; G79-E85 PolarHBondContact N-OE1 2.88Å; N81-E85 PolarHBondContact O-N 2.95Å; N81-E85 VanDerWaalsContact O-N 3.09Å; E85-L87 VanDerWaalsContact C-N 3.35Å; E85-L87 PolarHBondContact O-N 3.13Å; E85-M88 WeakPolarHBondContact O-CB 3.13Å; E85-M88 PolarHBondContact O-N 3.26Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 2.68Å
86K90Very high84.1Confident151 Ų15195 Ų9566%0.65746%0.461SS*.Hα-helixtrans-61.8-42.8175-173.5178.2-179.5-179.70112P82 V84 L89 Q90P82-K86 WeakPolarHBondContact O-CB 3.26Å; P82-K86 PolarHBondContact O-N 3.49Å; V84-K86 VanDerWaalsContact C-N 3.34Å; K86-L89 PolarHBondContact O-N 3.02Å; K86-Q90 WeakPolarHBondContact O-CB 3.2Å; K86-Q90 PolarHBondContact O-N 3.34Å
87L88.6Confident82.6Confident50 Ų5097.1 Ų97.126%0.26248%0.48SS..Hα-helixtrans-64.5-43177.9-175.863000111.8Y72 E83 V84 E85 L89 Q90 M91Y72-L87 HydrophobicContact CE1-CD2 3.71Å; Y72-L87 HydrophobicContact CE1-CG 3.8Å; Y72-L87 VanDerWaalsContact OH-CD2 3.32Å; Y72-L87 WeakPolarHBondContact OH-CD2 3.43Å; E83-L87 WeakPolarHBondContact O-CB 3.38Å; E83-L87 PolarHBondContact O-N 3.03Å; V84-L87 PolarHBondContact O-N 3.41Å; E85-L87 VanDerWaalsContact C-N 3.35Å; E85-L87 PolarHBondContact O-N 3.13Å; L87-L89 PolarHBondContact O-N 3.07Å; L87-Q90 PolarHBondContact O-N 2.82Å; L87-M91 HydrophobicContact CD1-CE 3.85Å; L87-M91 HydrophobicContact CD1-CG 4.13Å; L87-M91 HydrophobicContact CG-CG 4.48Å; L87-M91 WeakPolarHBondContact O-CG 3.39Å; L87-M91 PolarHBondContact O-N 2.8Å
88M88.1Confident80.9Confident32 Ų3295.5 Ų95.516%0.15848%0.481CS..Hα-helixtrans-56.8-49.5174.5178.1-157.6-58.500110.9M75 S76 F77 V84 E85 Q90 M91 N92M75-M88 HydrophobicContact CB-CE 3.27Å; S76-M88 WeakPolarHBondContact O-CE 3.1Å; F77-M88 HydrophobicContact CE1-CE 4.48Å; V84-M88 WeakPolarHBondContact O-CB 3.49Å; V84-M88 PolarHBondContact O-N 3.09Å; E85-M88 WeakPolarHBondContact O-CB 3.13Å; E85-M88 PolarHBondContact O-N 3.26Å; M88-Q90 PolarHBondContact O-N 3.03Å; M88-M91 PolarHBondContact O-N 3.13Å; M88-N92 WeakPolarHBondContact CG-ND2 3.12Å; M88-N92 VanDerWaalsContact O-CB 3.25Å; M88-N92 WeakPolarHBondContact O-CB 3.5Å; M88-N92 PolarHBondContact O-N 2.93Å; M88-N92 PolarHBondContact O-ND2 3.29Å
89L86.3Confident79.2Confident122 Ų12285.8 Ų85.864%0.63946%0.456SS*.Hα-helixtrans-62-43.3179.4-69.8169.2000111.6E85 K86 L87 S93E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 2.68Å; K86-L89 PolarHBondContact O-N 3.02Å; L87-L89 PolarHBondContact O-N 3.07Å; L89-S93 WeakPolarHBondContact O-CB 3.29Å; L89-S93 PolarHBondContact O-N 3.28Å; L89-S93 PolarHBondContact O-OG 3.21Å
90Q87Confident77.6Confident122 Ų12288.7 Ų88.757%0.5746%0.457SS*.Hα-helixtrans-64.8-41.6179.4-175178.70.400112.7K86 L87 M88 S93K86-Q90 WeakPolarHBondContact O-CB 3.2Å; K86-Q90 PolarHBondContact O-N 3.34Å; L87-Q90 PolarHBondContact O-N 2.82Å; M88-Q90 PolarHBondContact O-N 3.03Å; Q90-S93 PolarHBondContact O-OG 3.08Å
91M86.5Confident75.8Confident83 Ų8387 Ų8741%0.40945%0.452SS..Hα-helixtrans-77.9-37.5-177.2-65.6-59.6-174.400112.2Y72 L87 M88Y72-M91 HydrophobicContact CD1-CB 4.48Å; Y72-M91 HydrophobicContact CD2-CB 4.23Å; Y72-M91 HydrophobicContact CD2-CG 4.19Å; Y72-M91 HydrophobicContact CG-CB 3.93Å; Y72-M91 HydrophobicContact CG-CG 4.22Å; L87-M91 HydrophobicContact CD1-CE 3.85Å; L87-M91 HydrophobicContact CD1-CG 4.13Å; L87-M91 HydrophobicContact CG-CG 4.48Å; L87-M91 WeakPolarHBondContact O-CG 3.39Å; L87-M91 PolarHBondContact O-N 2.8Å; M88-M91 PolarHBondContact O-N 3.13Å
92N84.3Confident73.9Confident26 Ų2692.8 Ų92.814%0.13948%0.477CS..Hα-helixtrans-85-19.5-177.8-64.5-17.6000113.7L71 Y72 M88 K94 N95 K96L71-N92 HydrophobicContact CD2-CB 4.14Å; Y72-N92 WeakPolarHBondContact CB-OD1 3.49Å; Y72-N92 PolarHBondContact N-OD1 3.49Å; M88-N92 WeakPolarHBondContact CG-ND2 3.12Å; M88-N92 VanDerWaalsContact O-CB 3.25Å; M88-N92 WeakPolarHBondContact O-CB 3.5Å; M88-N92 PolarHBondContact O-N 2.93Å; M88-N92 PolarHBondContact O-ND2 3.29Å; N92-K94 PolarHBondContact O-N 3.32Å; N92-N95 PolarHBondContact O-N 3.41Å; N92-N95 VanDerWaalsContact O-N 3.1Å; N92-K96 PolarHBondContact O-N 3.25Å; N92-K96 VanDerWaalsContact O-N 3.08Å
93S74.6Confident71.9Confident63 Ų6395.2 Ų95.244%0.44148%0.481SS..Hα-helixtrans-60.3-29.4178.649.60000113.8L89 Q90 N95 K96 A97L89-S93 WeakPolarHBondContact O-CB 3.29Å; L89-S93 PolarHBondContact O-N 3.28Å; L89-S93 PolarHBondContact O-OG 3.21Å; Q90-S93 PolarHBondContact O-OG 3.08Å; S93-N95 VanDerWaalsContact C-N 3.28Å; S93-N95 PolarHBondContact O-N 3.1Å; S93-K96 PolarHBondContact O-N 2.79Å; S93-A97 PolarHBondContact O-N 2.88Å
94K65.8Low70.3Confident160 Ų16093.2 Ų93.270%0.69648%0.479SS*.Hα-helixtrans-63-34.9175.3-66.1-177.5-179.3178.50112.7N92N92-K94 PolarHBondContact O-N 3.32Å
95N59.8Low68.9Low68 Ų6898.2 Ų98.236%0.36451%0.509SS..Hα-helixtrans-84.5-30.1178.6-61.91.2000111N92 S93 A97 V98N92-N95 PolarHBondContact O-N 3.41Å; N92-N95 VanDerWaalsContact O-N 3.1Å; S93-N95 VanDerWaalsContact C-N 3.28Å; S93-N95 PolarHBondContact O-N 3.1Å; N95-A97 PolarHBondContact O-N 2.88Å; N95-V98 PolarHBondContact O-N 3.35Å
96K59.3Low67.5Low118 Ų118104.4 Ų104.451%0.51354%0.538SS..Hα-helixtrans-71.6-28.4-176.8-146.4177.1178.9-103.30113.9N92 S93 V98 A99 E100N92-K96 PolarHBondContact O-N 3.25Å; N92-K96 VanDerWaalsContact O-N 3.08Å; S93-K96 PolarHBondContact O-N 2.79Å; K96-V98 PolarHBondContact O-N 3.41Å; K96-A99 PolarHBondContact O-N 3.38Å; K96-E100 IonicContact NZ-OE1 2.72Å; K96-E100 PolarHBondContact NZ-OE1 3.01Å; K96-E100 PolarHBondContact O-N 3.4Å
97A57.2Low66.4Low59 Ų59102.1 Ų102.149%0.48854%0.536SS..Hα-helixtrans-62-28.8176.500000113S93 N95S93-A97 PolarHBondContact O-N 2.88Å; N95-A97 PolarHBondContact O-N 2.88Å
98V54.1Low65.5Low100 Ų100107.4 Ų107.461%0.60657%0.565SS**Hα-helixtrans-78.4-39.3176.1-177.60000110.8N95 K96 E101N95-V98 PolarHBondContact O-N 3.35Å; K96-V98 PolarHBondContact O-N 3.41Å; V98-E101 PolarHBondContact O-N 3.06Å
99A54.3Low64.9Low53 Ų53108 Ų10844%0.43857%0.571SS.*Hα-helixtrans-71.6-32.5178.600000113.5K96 E101 E102 E103K96-A99 PolarHBondContact O-N 3.38Å; A99-E101 VanDerWaalsContact C-N 3.28Å; A99-E101 PolarHBondContact O-N 3.4Å; A99-E102 PolarHBondContact O-N 3.15Å; A99-E103 PolarHBondContact O-N 3.06Å; A99-E103 VanDerWaalsContact O-N 3.13Å
100E53.3Low64.7Low108 Ų108105.2 Ų105.251%0.50556%0.561SS.*Hα-helixtrans-70.2-20.7176.7-79.3174.7-172.900113K96K96-E100 IonicContact NZ-OE1 2.72Å; K96-E100 PolarHBondContact NZ-OE1 3.01Å; K96-E100 PolarHBondContact O-N 3.4Å
101E51.9Low64.4Low159 Ų159105.9 Ų105.974%0.74357%0.568SS**Hα-helixtrans-73.4-27.9171.2-73.5-173.4172.300112.4V98 A99V98-E101 PolarHBondContact O-N 3.06Å; A99-E101 VanDerWaalsContact C-N 3.28Å; A99-E101 PolarHBondContact O-N 3.4Å
102E51.3Low64.1Low170 Ų170108.6 Ų108.679%0.79458%0.58SS**Hα-helixtrans-83.6-28.3175.2-63.4-167160.100112.2A99 T104A99-E102 PolarHBondContact O-N 3.15Å; E102-T104 VanDerWaalsContact C-N 3.26Å; E102-T104 PolarHBondContact O-N 3.23Å
103E50Low63.9Low144 Ų144111 Ų11167%0.67359%0.591SS**  trans-89.949.2175.2-156.7-179.8-168.300111.3A99 V105A99-E103 PolarHBondContact O-N 3.06Å; A99-E103 VanDerWaalsContact O-N 3.13Å; E103-V105 PolarHBondContact O-N 3.01Å
104T54.8Low64.4Low111 Ų111112.5 Ų112.568%0.68159%0.592SS**  trans-63.995.8162.655.80000107.5E102 E106E102-T104 VanDerWaalsContact C-N 3.26Å; E102-T104 PolarHBondContact O-N 3.23Å; T104-E106 PolarHBondContact O-N 3.43Å
105V60.9Low65.2Low112 Ų112107.8 Ų107.868%0.67958%0.583SS**  trans-39112.3178.5-176.90000109.2E103 V107E103-V105 PolarHBondContact O-N 3.01Å; V105-V107 HydrophobicContact CB-CG2 4.3Å; V105-V107 HydrophobicContact CG1-CG2 3.92Å; V105-V107 WeakPolarHBondContact O-CG2 3.47Å; V105-V107 PolarHBondContact O-N 3.12Å
106E59.4Low66.2Low182 Ų182112.8 Ų112.885%0.8560%0.596SS**  trans-65.490.4170.8-67.1-177.8165.800107.4T104 D108T104-E106 PolarHBondContact O-N 3.43Å; E106-D108 PolarHBondContact O-N 3.26Å
107V66.6Low67.1Low102 Ų102114.3 Ų114.362%0.61860%0.599SS**  trans-81.5109.2176.1-170.40000107.3V105 V109V105-V107 HydrophobicContact CB-CG2 4.3Å; V105-V107 HydrophobicContact CG1-CG2 3.92Å; V105-V107 WeakPolarHBondContact O-CG2 3.47Å; V105-V107 PolarHBondContact O-N 3.12Å; V107-V109 WeakPolarHBondContact CG1-O 3.32Å; V107-V109 PolarHBondContact O-N 3.34Å
108D70.9Confident68.1Low161 Ų161118.7 Ų118.786%0.86160%0.604SS**SBendtrans-58-17.3179.3-71.2-36.4000114.2E106E106-D108 PolarHBondContact O-N 3.26Å
109V75.1Confident69.1Low46 Ų46120.8 Ų120.828%0.27961%0.607SS.*SBendtrans-133.4118.9-177.8-173.20000109.5V107 E113V107-V109 WeakPolarHBondContact CG1-O 3.32Å; V107-V109 PolarHBondContact O-N 3.34Å; V109-E113 HydrophobicContact CG1-CB 3.95Å; V109-E113 HydrophobicContact CG1-CG 4.24Å
110S81.3Confident69.9Low63 Ų63122.9 Ų122.944%0.44162%0.615SS.*  trans-69.6151.617687.10000111.5E112 E113 M114S110-E112 PolarHBondContact O-N 2.96Å; S110-E112 VanDerWaalsContact O-N 3.13Å; S110-E112 PolarHBondContact OG-N 2.72Å; S110-E113 PolarHBondContact O-N 2.93Å; S110-E113 PolarHBondContact OG-N 2.9Å; S110-M114 PolarHBondContact O-N 3.32Å
111D80.6Confident70.6Confident135 Ų135122.4 Ų122.472%0.72262%0.615SS**Hα-helixtrans-55.1-31.6176.3-71.3-13.9000112.2M114 A115D111-M114 PolarHBondContact O-N 2.95Å; D111-A115 WeakPolarHBondContact O-CB 3.49Å; D111-A115 PolarHBondContact O-N 3Å
112E80.3Confident71.4Confident140 Ų140119.5 Ų119.565%0.65461%0.608SS**Hα-helixtrans-66.5-41.4175.2-59.9-174.8175.200112.3S110 A115 R116S110-E112 PolarHBondContact O-N 2.96Å; S110-E112 VanDerWaalsContact O-N 3.13Å; S110-E112 PolarHBondContact OG-N 2.72Å; E112-A115 PolarHBondContact O-N 2.97Å; E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.83Å; E112-R116 VanDerWaalsContact O-N 3.14Å
113E81.1Confident72Confident78 Ų78112.9 Ų112.936%0.36459%0.585SS.*Hα-helixtrans-69.7-39.1177.4-169.1179.9168.300111.1V109 S110 A115 R116 R117V109-E113 HydrophobicContact CG1-CB 3.95Å; V109-E113 HydrophobicContact CG1-CG 4.24Å; S110-E113 PolarHBondContact O-N 2.93Å; S110-E113 PolarHBondContact OG-N 2.9Å; E113-A115 VanDerWaalsContact C-N 3.35Å; E113-A115 PolarHBondContact O-N 3.4Å; E113-R116 PolarHBondContact O-N 3.16Å; E113-R117 WeakPolarHBondContact O-CG 3.25Å; E113-R117 PolarHBondContact O-N 3.23Å; E113-R117 VanDerWaalsContact O-N 3.12Å; E113-R117 IonicContact OE1-CZ 2.68Å; E113-R117 IonicContact OE1-NE 2.7Å; E113-R117 PolarHBondContact OE1-NE 2.55Å; E113-R117 IonicContact OE1-NH2 3.34Å; E113-R117 PolarHBondContact OE1-NH2 3.47Å
114M83.7Confident72.7Confident93 Ų93109.7 Ų109.746%0.45858%0.576SS.*Hα-helixtrans-58.8-47173-173.9175.2-64.100111S110 D111 R116 R117 Y118S110-M114 PolarHBondContact O-N 3.32Å; D111-M114 PolarHBondContact O-N 2.95Å; M114-R116 PolarHBondContact O-N 3.39Å; M114-R117 PolarHBondContact O-N 2.91Å; M114-Y118 HydrophobicContact CG-CD2 3.79Å; M114-Y118 HydrophobicContact CG-CE2 3.82Å; M114-Y118 WeakPolarHBondContact O-CD2 3.49Å; M114-Y118 PolarHBondContact O-N 3.16Å; M114-Y118 HydrophobicContact SD-CE2 4.22Å
115A82.8Confident73.3Confident61 Ų61107.6 Ų107.650%0.50456%0.56SS.*Hα-helixtrans-59.1-44.6178.700000112.5D111 E112 E113 R117 Y118 E119D111-A115 WeakPolarHBondContact O-CB 3.49Å; D111-A115 PolarHBondContact O-N 3Å; E112-A115 PolarHBondContact O-N 2.97Å; E113-A115 VanDerWaalsContact C-N 3.35Å; E113-A115 PolarHBondContact O-N 3.4Å; A115-R117 PolarHBondContact O-N 3Å; A115-Y118 PolarHBondContact O-N 3.43Å; A115-E119 PolarHBondContact O-N 3.17Å
116R80.8Confident73.4Confident173 Ų173104.6 Ų104.665%0.65355%0.552SS**Hα-helixtrans-62.8-39.1178.1-70.4178.7-173.1-164.85.6112.8E112 E113 M114 T120E112-R116 WeakPolarHBondContact O-CG 3.38Å; E112-R116 PolarHBondContact O-N 2.83Å; E112-R116 VanDerWaalsContact O-N 3.14Å; E113-R116 PolarHBondContact O-N 3.16Å; M114-R116 PolarHBondContact O-N 3.39Å; R116-T120 PolarHBondContact O-N 3.02Å; R116-T120 PolarHBondContact O-OG1 3.25Å
117R78.8Confident73.7Confident151 Ų15199.7 Ų99.757%0.5753%0.528SS*.Hα-helixtrans-68.6-36.8176.2-68.7-177.6-173.5-158.55.6111.8E113 M114 A115 T120 L121E113-R117 WeakPolarHBondContact O-CG 3.25Å; E113-R117 PolarHBondContact O-N 3.23Å; E113-R117 VanDerWaalsContact O-N 3.12Å; E113-R117 IonicContact OE1-CZ 2.68Å; E113-R117 IonicContact OE1-NE 2.7Å; E113-R117 PolarHBondContact OE1-NE 2.55Å; E113-R117 IonicContact OE1-NH2 3.34Å; E113-R117 PolarHBondContact OE1-NH2 3.47Å; M114-R117 PolarHBondContact O-N 2.91Å; A115-R117 PolarHBondContact O-N 3Å; R117-T120 PolarHBondContact O-OG1 3.47Å; R117-T120 VanDerWaalsContact O-OG1 3.06Å; R117-L121 VanDerWaalsContact O-CB 3.26Å; R117-L121 WeakPolarHBondContact O-CB 3.32Å; R117-L121 PolarHBondContact O-N 3.36Å; R117-L121 VanDerWaalsContact O-N 3.15Å
118Y77.3Confident73.6Confident150 Ų150102.6 Ų102.659%0.58853%0.532SS*.Hα-helixtrans-66.8-41.3175.8-94.5-82.7000112.6M114 A115 T120 L121 V122M114-Y118 HydrophobicContact CG-CD2 3.79Å; M114-Y118 HydrophobicContact CG-CE2 3.82Å; M114-Y118 WeakPolarHBondContact O-CD2 3.49Å; M114-Y118 PolarHBondContact O-N 3.16Å; M114-Y118 HydrophobicContact SD-CE2 4.22Å; A115-Y118 PolarHBondContact O-N 3.43Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.49Å; Y118-L121 PolarHBondContact O-N 3.39Å; Y118-V122 HydrophobicContact CD1-CG2 3.94Å; Y118-V122 WeakPolarHBondContact O-CB 3.45Å; Y118-V122 VanDerWaalsContact O-CG2 3.23Å; Y118-V122 WeakPolarHBondContact O-CG2 3.43Å; Y118-V122 PolarHBondContact O-N 3.49Å
119E75.4Confident73.5Confident144 Ų144103.2 Ų103.267%0.67353%0.527SS*.Hα-helixtrans-57.4-45.7178.1-173.2177.2-173.100112A115A115-E119 PolarHBondContact O-N 3.17Å
120T72.3Confident73.2Confident98 Ų98102.5 Ų102.560%0.60153%0.526SS*.Hα-helixtrans-73.9-35.6-178.351.20000113.4R116 R117 Y118 T124R116-T120 PolarHBondContact O-N 3.02Å; R116-T120 PolarHBondContact O-OG1 3.25Å; R117-T120 PolarHBondContact O-OG1 3.47Å; R117-T120 VanDerWaalsContact O-OG1 3.06Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-T120 PolarHBondContact O-N 3.49Å; T120-T124 PolarHBondContact O-OG1 3.41Å
121L68.1Low72.7Confident98 Ų98107.4 Ų107.451%0.51354%0.539SS..Hα-helixtrans-83.6-37-173.2-167.562000113.3R117 Y118 G123 T124 I125R117-L121 VanDerWaalsContact O-CB 3.26Å; R117-L121 WeakPolarHBondContact O-CB 3.32Å; R117-L121 PolarHBondContact O-N 3.36Å; R117-L121 VanDerWaalsContact O-N 3.15Å; Y118-L121 PolarHBondContact O-N 3.39Å; L121-G123 PolarHBondContact O-N 2.84Å; L121-T124 PolarHBondContact O-N 3.28Å; L121-T124 PolarHBondContact O-OG1 3.34Å; L121-I125 HydrophobicContact CD1-CD1 3.72Å; L121-I125 HydrophobicContact CD1-CG1 4.18Å; L121-I125 HydrophobicContact CD2-CD1 4.16Å; L121-I125 HydrophobicContact CG-CD1 3.59Å; L121-I125 HydrophobicContact CG-CG1 4.35Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.47Å; L121-I125 VanDerWaalsContact O-N 3.17Å
122V67.1Low72.1Confident97 Ų97110.1 Ų110.159%0.58855%0.545SS*.Hα-helixtrans-68.5-36.9-176.5173.80000111.8Y118 T124Y118-V122 HydrophobicContact CD1-CG2 3.94Å; Y118-V122 WeakPolarHBondContact O-CB 3.45Å; Y118-V122 VanDerWaalsContact O-CG2 3.23Å; Y118-V122 WeakPolarHBondContact O-CG2 3.43Å; Y118-V122 PolarHBondContact O-N 3.49Å; V122-T124 VanDerWaalsContact C-N 3.34Å; V122-T124 PolarHBondContact O-N 2.98Å
123G64.1Low71.5Confident31 Ų31114 Ų11432%0.3255%0.554SS.*Hα-helixtrans-66.4-32.2177.600000113.9L121 I146L121-G123 PolarHBondContact O-N 2.84Å; G123-I146 VanDerWaalsContact O-CD1 3.29Å; G123-I146 WeakPolarHBondContact O-CD1 3.41Å
124T66.5Low70.7Confident78 Ų78113.6 Ų113.648%0.47955%0.554SS.*Hα-helixtrans-90.3-29.4-174.857.70000113.5T120 L121 V122T120-T124 PolarHBondContact O-OG1 3.41Å; L121-T124 PolarHBondContact O-N 3.28Å; L121-T124 PolarHBondContact O-OG1 3.34Å; V122-T124 VanDerWaalsContact C-N 3.34Å; V122-T124 PolarHBondContact O-N 2.98Å
125I65.6Low69.8Low67 Ų67116.2 Ų116.234%0.34456%0.559SS.*Hα-helixtrans-72.9-34.5-179-78.1178.1000112.8L121 K127 K128 F129L121-I125 HydrophobicContact CD1-CD1 3.72Å; L121-I125 HydrophobicContact CD1-CG1 4.18Å; L121-I125 HydrophobicContact CD2-CD1 4.16Å; L121-I125 HydrophobicContact CG-CD1 3.59Å; L121-I125 HydrophobicContact CG-CG1 4.35Å; L121-I125 WeakPolarHBondContact O-CG1 3.4Å; L121-I125 PolarHBondContact O-N 3.47Å; L121-I125 VanDerWaalsContact O-N 3.17Å; I125-K127 PolarHBondContact O-N 3.21Å; I125-K127 VanDerWaalsContact O-N 3.12Å; I125-K128 WeakPolarHBondContact O-CB 3.07Å; I125-K128 PolarHBondContact O-N 3.37Å; I125-F129 HydrophobicContact CG2-CD2 4.09Å; I125-F129 HydrophobicContact CG2-CE2 3.94Å
126G64.6Low69Low49 Ų49116.9 Ų116.951%0.50556%0.564SS.*Hα-helixtrans-56-32179.900000113.8A130G126-A130 PolarHBondContact O-N 3.36Å
127K64.1Low68.3Low79 Ų79113 Ų11334%0.34356%0.557SS.*Hα-helixtrans-71.4-27.1177.4-76.8175.8170.3165.50114.1I125 F129 E140 I146I125-K127 PolarHBondContact O-N 3.21Å; I125-K127 VanDerWaalsContact O-N 3.12Å; K127-F129 VanDerWaalsContact C-N 3.29Å; K127-F129 PolarHBondContact O-N 3.28Å; K127-E140 IonicContact NZ-OE1 2.55Å; K127-E140 PolarHBondContact NZ-OE1 3.09Å; K127-I146 HydrophobicContact CD-CD1 4.03Å
128K65.9Low67.7Low162 Ų162112.1 Ų112.170%0.70455%0.554SS**Hα-helixtrans-72.7-25.7-178.4-63.1-172.7-178.9-171.90112I125I125-K128 WeakPolarHBondContact O-CB 3.07Å; I125-K128 PolarHBondContact O-N 3.37Å
129F68.6Low67.2Low174 Ų174111 Ų11176%0.76355%0.554SS**Hα-helixtrans-107-5.1179.7-61.2-76.5000114.2I125 K127I125-F129 HydrophobicContact CG2-CD2 4.09Å; I125-F129 HydrophobicContact CG2-CE2 3.94Å; K127-F129 VanDerWaalsContact C-N 3.29Å; K127-F129 PolarHBondContact O-N 3.28Å
130A67.5Low66.5Low32 Ų32110.6 Ų110.626%0.26455%0.553SS.*  trans-70.2129.2176.500000112.1G126G126-A130 PolarHBondContact O-N 3.36Å
131K72.8Confident66Low165 Ų165108.1 Ų108.172%0.71754%0.536SS*.  trans-64.4147.7174.7-70.3179.2179.8175.50110R133 D134K131-R133 PolarHBondContact O-N 3.33Å; K131-D134 PolarHBondContact O-N 3.12Å
132K67.5Low65.5Low192 Ų192113.1 Ų113.184%0.83556%0.556SS**THydrogen-bonded Turntrans-50.2-27.7-175.8-102.1-174.9177.1-179.20114.8
133R67Low65Low222 Ų222115.8 Ų115.884%0.83857%0.567SS**THydrogen-bonded Turntrans-74-28.8179.4-174.4176.3-77.8167.1-4.9113.5K131K131-R133 PolarHBondContact O-N 3.33Å
134D64.6Low64.8Low69 Ų69116.7 Ų116.737%0.36958%0.577SS.*G310 helixtrans-91-9.8-172.6-57.7-39.3000113.1K131 A136 N137 Y138K131-D134 PolarHBondContact O-N 3.12Å; D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.26Å; D134-N137 PolarHBondContact O-N 2.98Å; D134-Y138 WeakPolarHBondContact O-CD2 3.49Å
135R65.1Low64.3Low148 Ų148117.2 Ų117.256%0.55858%0.576SS**G310 helixtrans-65.5-26.2179.1-73.3-174.1178.1-175.7-3.2113.8N137R135-N137 PolarHBondContact O-N 3.02Å
136A65.9Low64.1Low76 Ų76115.9 Ų115.963%0.62857%0.569SS**G310 helixtrans-76.3-7.1179.900000113.6D134 I149D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.26Å; A136-I149 WeakPolarHBondContact O-CD1 3.47Å
137N66.1Low63.9Low91 Ų91119.3 Ų119.349%0.48757%0.571SS.*G310 helixtrans-96.44.1-175.3-67.8-21.2000113.9D134 R135 I149D134-N137 PolarHBondContact O-N 2.98Å; R135-N137 PolarHBondContact O-N 3.02Å; N137-I149 WeakPolarHBondContact O-CG1 3.33Å; N137-I149 PolarHBondContact O-N 3.48Å
138Y66.6Low63.9Low132 Ų132120 Ų12052%0.51858%0.583SS.*EExtended strand (participates in β ladder)trans-128.2130.3-175-69.1-81.2000110.6D134 I146 P148D134-Y138 WeakPolarHBondContact O-CD2 3.49Å; Y138-I146 HydrophobicContact CD1-CG2 3.99Å; Y138-I146 HydrophobicContact CG-CG2 4.15Å; Y138-P148 HydrophobicContact CE1-CB 4.32Å
139E65.1Low64Low127 Ų127115.6 Ų115.659%0.59357%0.567SS**EExtended strand (participates in β ladder)trans-112.3145174.7-78-179.8-172.600110.3I146 K147 I149E139-I146 CarbonylContact O-C 3.6Å; E139-I146 WeakPolarHBondContact O-CA 3.36Å; E139-K147 PolarHBondContact N-O 3.15Å; E139-K147 PolarHBondContact O-N 2.75Å; E139-I149 HydrophobicContact CB-CG1 4.34Å; E139-I149 HydrophobicContact CG-CD1 3.8Å; E139-I149 HydrophobicContact CG-CG1 3.69Å
140E62.1Low63.8Low136 Ų136116.7 Ų116.764%0.63657%0.571SS**EExtended strand (participates in β ladder)trans-88.5130.9173.4-80.7173.5-177.100109.7K127 I146K127-E140 IonicContact NZ-OE1 2.55Å; K127-E140 PolarHBondContact NZ-OE1 3.09Å; E140-I146 HydrophobicContact CG-CG1 3.9Å
141D61.7Low63.6Low46 Ų46121.3 Ų121.325%0.24660%0.596CS.*  trans-82.5169.3168.967.123.9000112.1N143 G144 N145 K147D141-N143 PolarHBondContact O-N 3.2Å; D141-N143 PolarHBondContact OD1-N 3.13Å; D141-G144 PolarHBondContact O-N 3.31Å; D141-G144 PolarHBondContact OD1-N 3.23Å; D141-N145 PolarHBondContact N-O 3.5Å; D141-N145 VanDerWaalsContact OD1-CA 3.3Å; D141-N145 WeakPolarHBondContact OD1-CA 3.39Å; D141-N145 WeakPolarHBondContact OD1-CB 3.31Å; D141-N145 PolarHBondContact OD1-N 2.93Å; D141-N145 VanDerWaalsContact OD1-O 3.12Å; D141-N145 WeakPolarHBondContact OD2-CB 3.46Å; D141-K147 WeakPolarHBondContact OD2-CE 3.38Å; D141-K147 IonicContact OD2-NZ 2.61Å; D141-K147 PolarHBondContact OD2-NZ 3.3Å
142E56.5Low63.1Low202 Ų202123.1 Ų123.194%0.94460%0.604SS**THydrogen-bonded Turntrans-59.5-15.9-177.1-66.5-174.5155.600113.7
143N56.9Low63.1Low154 Ų154124.2 Ų124.282%0.82461%0.609SS**THydrogen-bonded Turntrans-97.49.8175.5-71.84.9000112.8D141 N145D141-N143 PolarHBondContact O-N 3.2Å; D141-N143 PolarHBondContact OD1-N 3.13Å; N143-N145 PolarHBondContact O-N 2.92Å
144G59.6Low63.3Low50 Ų50121.4 Ų121.452%0.51561%0.607SS.*SBendtrans74.59.8-179.200000114.2D141D141-G144 PolarHBondContact O-N 3.31Å; D141-G144 PolarHBondContact OD1-N 3.23Å
145N56.1Low63.4Low88 Ų88128.2 Ų128.247%0.47163%0.634SS.*  trans-90.9135.6-179-142.4-14.7000110.4D141 N143D141-N145 PolarHBondContact N-O 3.5Å; D141-N145 VanDerWaalsContact OD1-CA 3.3Å; D141-N145 WeakPolarHBondContact OD1-CA 3.39Å; D141-N145 WeakPolarHBondContact OD1-CB 3.31Å; D141-N145 PolarHBondContact OD1-N 2.93Å; D141-N145 VanDerWaalsContact OD1-O 3.12Å; D141-N145 WeakPolarHBondContact OD2-CB 3.46Å; N143-N145 PolarHBondContact O-N 2.92Å
146I61.7Low64Low39 Ų39128.5 Ų128.520%0.265%0.646CS.*EExtended strand (participates in β ladder)trans-103.4120.4-163.2-55144000109.7G123 K127 Y138 E139 E140G123-I146 VanDerWaalsContact O-CD1 3.29Å; G123-I146 WeakPolarHBondContact O-CD1 3.41Å; K127-I146 HydrophobicContact CD-CD1 4.03Å; Y138-I146 HydrophobicContact CD1-CG2 3.99Å; Y138-I146 HydrophobicContact CG-CG2 4.15Å; E139-I146 CarbonylContact O-C 3.6Å; E139-I146 WeakPolarHBondContact O-CA 3.36Å; E140-I146 HydrophobicContact CG-CG1 3.9Å
147K61Low64.2Low122 Ų122134.2 Ų134.253%0.5366%0.656SS.*EExtended strand (participates in β ladder)trans-115.6143.9-176.8-71.7169176.9144.70111.5E139 D141E139-K147 PolarHBondContact N-O 3.15Å; E139-K147 PolarHBondContact O-N 2.75Å; D141-K147 WeakPolarHBondContact OD2-CE 3.38Å; D141-K147 IonicContact OD2-NZ 2.61Å; D141-K147 PolarHBondContact OD2-NZ 3.3Å
148P64.3Low64.4Low93 Ų93135.6 Ų135.660%0.60467%0.67SS**EExtended strand (participates in β ladder)trans-69136.1175.728.1-33.4000110.8Y138 K150Y138-P148 HydrophobicContact CE1-CB 4.32Å; P148-K150 PolarHBondContact O-N 3.22Å
149I68.6Low64.3Low70 Ų70138.5 Ų138.536%0.35969%0.689SS.*  trans-65.9118.6179.1-63.6172.6000109.1A136 N137 E139 T151A136-I149 WeakPolarHBondContact O-CD1 3.47Å; N137-I149 WeakPolarHBondContact O-CG1 3.33Å; N137-I149 PolarHBondContact O-N 3.48Å; E139-I149 HydrophobicContact CB-CG1 4.34Å; E139-I149 HydrophobicContact CG-CD1 3.8Å; E139-I149 HydrophobicContact CG-CG1 3.69Å; I149-T151 PolarHBondContact O-N 3.1Å
150K63.5Low63.9Low197 Ų197144 Ų14486%0.85772%0.722SS**  trans-72.1113.1176-65.9-179-178.7176.50109.2P148P148-K150 PolarHBondContact O-N 3.22Å
151T62.4Low64Low129 Ų129144.4 Ų144.479%0.79173%0.726SS**  trans-67.7134.9175.152.10000110.7I149 K153I149-T151 PolarHBondContact O-N 3.1Å; T151-K153 PolarHBondContact O-N 3.24Å
152K62.8Low64.2Low203 Ų203149.5 Ų149.588%0.88375%0.751SS**  trans-68.6124.5177.8-66.8177.1-178.2174.40109.1M154K152-M154 PolarHBondContact O-N 3.01Å
153K67.8Low64.6Low214 Ų214146.6 Ų146.693%0.9374%0.741SS**  trans-67.5113.9174.8-63.2-171.9180-176.50108.9T151T151-K153 PolarHBondContact O-N 3.24Å
154M70.9Confident65Low163 Ų163146.2 Ų146.280%0.80374%0.736SS**PPolyproline II helixtrans-87.7147.7172.560.5176.961.700110.8K152 L156K152-M154 PolarHBondContact O-N 3.01Å; M154-L156 PolarHBondContact O-N 3.34Å
155F67.9Low65.4Low212 Ų212152.2 Ų152.293%0.9375%0.749SS**PPolyproline II helixtrans-70.4118.5-179.3-134.9-96.4000109.6
156L76.4Confident66Low155 Ų155156.5 Ų156.581%0.81277%0.768SS**PPolyproline II helixtrans-83.2133.5171-85125.5000109.2M154M154-L156 PolarHBondContact O-N 3.34Å
157K70.4Confident66.3Low195 Ų195164.9 Ų164.985%0.84881%0.809SS**PPolyproline II helixtrans-69140173.6-100.3-177.7174.7-178.30110.2
158P70.8Confident66.7Low120 Ų120168.2 Ų168.278%0.77983%0.83SS**PPolyproline II helixtrans-61.4147.3172.2-17.130000111
159Q64.9Low66.9Low194 Ų194174.4 Ų174.491%0.90785%0.849SS**PPolyproline II helixtrans-83.9142.3172.2-66.2-171.4-25.100109.8
160D56.7Low66.8Low241 Ų241183.9 Ų183.9100%1.28989%0.893SS**  trans-71.40172.2-72.2-32.3000112

Retrieved 160 of 160 residues in 24.4 ms (Link to these results)