A0A060W5T8_ONCMY Loading...

AN1-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A060W5T8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529803, Length 233 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M51Low54.9Low253 Ų253146.7 Ų146.7100%1.24683%0.832SS**  098.80-62.6150.6102.600104.8
2G45.7Very low55.8Low73 Ų73146.6 Ų146.675%0.75383%0.826SS**  cis114.846.236.300000108.6T4G2-T4 PolarHBondContact O-N 2.98Å
3D47.6Very low56.3Low162 Ų162140.5 Ų140.587%0.86680%0.796SS**  trans-8988179.1-152.1-84000108G5D3-G5 PolarHBondContact O-N 2.73Å
4T51.3Low57.2Low129 Ų129136.4 Ų136.479%0.79178%0.778SS**  trans-78.598.7171.750.80000107.8G2 S6G2-T4 PolarHBondContact O-N 2.98Å; T4-S6 PolarHBondContact O-N 3.26Å
5G50Low58.4Low61 Ų61134.6 Ų134.663%0.62975%0.753SS**  trans-51.4110.9166.200000109.9D3 E7D3-G5 PolarHBondContact O-N 2.73Å; G5-E7 PolarHBondContact O-N 3.42Å
6S56.9Low60Low118 Ų118126.4 Ų126.483%0.82571%0.708SS**  trans-67.387168-174.40000107.6T4 R8T4-S6 PolarHBondContact O-N 3.26Å; S6-R8 PolarHBondContact O-N 2.93Å
7E57.4Low61.3Low183 Ų183126.4 Ų126.486%0.85571%0.714SS**  trans-65.691.9166.9-73.5-141.195.800107.8G5 S9G5-E7 PolarHBondContact O-N 3.42Å; E7-S9 PolarHBondContact O-N 3.27Å
8R58.5Low62.7Low224 Ų224123.3 Ų123.385%0.84570%0.701SS**  trans-31.6103.1165-175.5173.4-171.9-1202.2109.6S6 K10S6-R8 PolarHBondContact O-N 2.93Å; R8-K10 PolarHBondContact O-N 2.75Å
9S60.4Low63.8Low109 Ų109119.4 Ų119.476%0.76269%0.691SS**  trans-53.399.8173.939.50000108.6E7E7-S9 PolarHBondContact O-N 3.27Å
10K62.8Low64.9Low179 Ų179119.8 Ų119.878%0.77868%0.684SS**PPolyproline II helixtrans-57.8123.7173.1-66.3170.9-175.5168.10106R8 L12R8-K10 PolarHBondContact O-N 2.75Å; K10-L12 PolarHBondContact O-N 2.85Å; K10-L12 VanDerWaalsContact O-N 3.08Å
11P62.5Low65.8Low123 Ų123121.7 Ų121.780%0.79968%0.68SS**PPolyproline II helixtrans-55.5123.6176.919.8-28.4000107.7
12L65.6Low67.4Low145 Ų145110.6 Ų110.676%0.75963%0.631SS**PPolyproline II helixtrans-52.9132.8177.9-69169.4000107.8K10K10-L12 PolarHBondContact O-N 2.85Å; K10-L12 VanDerWaalsContact O-N 3.08Å
13P62.5Low69.1Low68 Ų68109.9 Ų109.944%0.44261%0.614SS.*PPolyproline II helixtrans-57.9141.2-175.622.7-32.4000109.8R15P13-R15 PolarHBondContact O-N 2.74Å
14P68.2Low70.8Confident83 Ų83107.4 Ų107.454%0.53961%0.61SS.*PPolyproline II helixtrans-57.8136-176.524-32.3000109.4N28P14-N28 HydrophobicContact CG-CB 3.91Å
15R76.3Confident72.4Confident109 Ų109110.5 Ų110.541%0.41161%0.612SS.*PPolyproline II helixtrans-77.8144.5177.6-59.2-51.8-179.5105.50.5109.6P13P13-R15 PolarHBondContact O-N 2.74Å
16C84.1Confident74.1Confident3 Ų3108.8 Ų108.82%0.0259%0.59CS.*PPolyproline II helixtrans-57144.6165.3-171.10000108.3C18 G19 F20 C30C16-C18 PolarHBondContact O-N 3.22Å; C16-C18 PolarHBondContact SG-SG 3.15Å; C16-G19 PolarHBondContact O-N 2.87Å; C16-F20 WeakPolarHBondContact CB-O 3.03Å; C16-F20 PolarHBondContact N-O 3.46Å; C16-C30 PolarHBondContact SG-N 3.48Å
17P80.8Confident75.5Confident126 Ų126110.2 Ų110.282%0.81859%0.585SS**THydrogen-bonded Turntrans-54.6-21179.2-27.434.4000114.5G19P17-G19 VanDerWaalsContact C-N 3.34Å
18C86.6Confident76.8Confident71 Ų71103.7 Ų103.748%0.4856%0.556SS.*THydrogen-bonded Turntrans-85.44.5175.3690000114.8C16 F20C16-C18 PolarHBondContact O-N 3.22Å; C16-C18 PolarHBondContact SG-SG 3.15Å; C18-F20 VanDerWaalsContact C-N 3.32Å; C18-F20 PolarHBondContact O-N 3.41Å
19G83.6Confident78.3Confident49 Ų4994.4 Ų94.451%0.50552%0.523SS..SBendtrans83.4-5.1177.400000115.8C16 P17C16-G19 PolarHBondContact O-N 2.87Å; P17-G19 VanDerWaalsContact C-N 3.34Å
20F86.2Confident79.7Confident128 Ų12889.7 Ų89.756%0.56149%0.49SS*.SBendtrans-85.5149.5177.2-166.9-97.8000112.1C16 C18 G22 C30C16-F20 WeakPolarHBondContact CB-O 3.03Å; C16-F20 PolarHBondContact N-O 3.46Å; C18-F20 VanDerWaalsContact C-N 3.32Å; C18-F20 PolarHBondContact O-N 3.41Å; F20-G22 PolarHBondContact O-N 3.44Å; F20-C30 HydrophobicContact CB-CB 3.96Å; F20-C30 HydrophobicContact CD1-CB 3.39Å; F20-C30 HydrophobicContact CE1-CB 4.25Å; F20-C30 HydrophobicContact CG-CB 4.04Å
21W84.1Confident80.9Confident159 Ų15985.7 Ų85.760%0.60248%0.484SS*.PPolyproline II helixtrans-71.7116.1175.1-87.9-95.9000110.4
22G83.6Confident82.2Confident20 Ų2087.4 Ų87.421%0.20648%0.479CS..PPolyproline II helixtrans-87.3165.5170.400000112.4F20 N28 L29F20-G22 PolarHBondContact O-N 3.44Å; G22-N28 WeakPolarHBondContact CA-O 3.19Å; G22-L29 WeakPolarHBondContact CA-O 3.06Å
23S83.2Confident83.4Confident58 Ų5881.9 Ų81.941%0.40645%0.453SS..PPolyproline II helixtrans-100154.1175.876.10000110.6K25 T26 N28S23-K25 PolarHBondContact O-N 2.92Å; S23-K25 VanDerWaalsContact O-N 3.16Å; S23-T26 PolarHBondContact N-OG1 2.76Å; S23-T26 PolarHBondContact O-N 3.48Å; S23-T26 VanDerWaalsContact O-N 3.07Å; S23-T26 PolarHBondContact O-OG1 3.4Å; S23-T26 PolarHBondContact OG-N 3.49Å; S23-T26 PolarHBondContact OG-OG1 2.78Å; S23-N28 WeakPolarHBondContact O-CA 3.33Å; S23-N28 PolarHBondContact O-N 3.19Å
24S82.9Confident84.7Confident110 Ų11080.8 Ų80.877%0.76944%0.441SS*.G310 helixtrans-61.5-23.5174.5-50.90000112.8
25K84Confident85.8Confident194 Ų19478.9 Ų78.984%0.84343%0.433SS*.G310 helixtrans-71.4-27.9176.2-170.4173.1179.2178.80112.9S23S23-K25 PolarHBondContact O-N 2.92Å; S23-K25 VanDerWaalsContact O-N 3.16Å
26T86.5Confident86.5Confident25 Ų2578.5 Ų78.515%0.15344%0.439CS..G310 helixtrans-105.730.9179.952.30000111.8S23 N28 L29 F34S23-T26 PolarHBondContact N-OG1 2.76Å; S23-T26 PolarHBondContact O-N 3.48Å; S23-T26 VanDerWaalsContact O-N 3.07Å; S23-T26 PolarHBondContact O-OG1 3.4Å; S23-T26 PolarHBondContact OG-N 3.49Å; S23-T26 PolarHBondContact OG-OG1 2.78Å; T26-N28 PolarHBondContact O-N 2.92Å; T26-N28 VanDerWaalsContact O-N 3.15Å; T26-L29 WeakPolarHBondContact CB-O 3.36Å; T26-L29 WeakPolarHBondContact O-CB 3.23Å; T26-L29 PolarHBondContact O-N 2.84Å; T26-L29 PolarHBondContact OG1-O 3.08Å; T26-F34 HydrophobicContact CG2-CB 4.29Å; T26-F34 HydrophobicContact CG2-CD1 3.81Å; T26-F34 HydrophobicContact CG2-CD2 4.24Å; T26-F34 HydrophobicContact CG2-CE1 4.16Å; T26-F34 HydrophobicContact CG2-CG 3.84Å; T26-F34 VanDerWaalsContact O-CD2 3.28Å; T26-F34 WeakPolarHBondContact O-CD2 3.32Å
27M85.8Confident86.5Confident148 Ų14882.1 Ų82.173%0.72946%0.457SS*.THydrogen-bonded Turntrans50.936.6-175.8-57.2-162.8-173.200114.2L29M27-L29 HydrophobicContact CB-CD1 4.45Å; M27-L29 WeakPolarHBondContact O-CD1 3.46Å; M27-L29 PolarHBondContact O-N 3.09Å
28N85.8Confident86.7Confident46 Ų4680.6 Ų80.625%0.24644%0.439CS..THydrogen-bonded Turntrans6516.9-175.7-48.6-71.3000115.3P14 G22 S23 T26P14-N28 HydrophobicContact CG-CB 3.91Å; G22-N28 WeakPolarHBondContact CA-O 3.19Å; S23-N28 WeakPolarHBondContact O-CA 3.33Å; S23-N28 PolarHBondContact O-N 3.19Å; T26-N28 PolarHBondContact O-N 2.92Å; T26-N28 VanDerWaalsContact O-N 3.15Å
29L88.1Confident86.6Confident30 Ų3084.1 Ų84.116%0.15745%0.448CS..  trans-93.7154.7170.2-78.470.9000111.5G22 T26 M27 C33 F34 I37G22-L29 WeakPolarHBondContact CA-O 3.06Å; T26-L29 WeakPolarHBondContact CB-O 3.36Å; T26-L29 WeakPolarHBondContact O-CB 3.23Å; T26-L29 PolarHBondContact O-N 2.84Å; T26-L29 PolarHBondContact OG1-O 3.08Å; M27-L29 HydrophobicContact CB-CD1 4.45Å; M27-L29 WeakPolarHBondContact O-CD1 3.46Å; M27-L29 PolarHBondContact O-N 3.09Å; L29-C33 HydrophobicContact CB-CB 4.31Å; L29-C33 HydrophobicContact CD2-CB 4.02Å; L29-C33 HydrophobicContact CG-CB 4.42Å; L29-F34 HydrophobicContact CB-CB 4.13Å; L29-I37 HydrophobicContact CD2-CD1 3.28Å; L29-I37 HydrophobicContact CD2-CG1 4.2Å
30C90.9Very high86.3Confident10 Ų1089.6 Ų89.67%0.06846%0.458CS..  trans-70.2161.2170.176.40000110.7C16 F20 K32 C33 F34C16-C30 PolarHBondContact SG-N 3.48Å; F20-C30 HydrophobicContact CB-CB 3.96Å; F20-C30 HydrophobicContact CD1-CB 3.39Å; F20-C30 HydrophobicContact CE1-CB 4.25Å; F20-C30 HydrophobicContact CG-CB 4.04Å; C30-K32 PolarHBondContact O-N 3.31Å; C30-K32 VanDerWaalsContact O-N 3.09Å; C30-C33 PolarHBondContact O-N 3.45Å; C30-C33 PolarHBondContact SG-N 3.36Å; C30-C33 PolarHBondContact SG-SG 3.09Å; C30-F34 VanDerWaalsContact O-CB 3.27Å; C30-F34 WeakPolarHBondContact O-CB 3.27Å; C30-F34 PolarHBondContact O-N 3.39Å
31S87.6Confident85.5Confident94 Ų9489.8 Ų89.866%0.65746%0.461SS*.Hα-helixtrans-54.9-31-178.950.70000113.9A35S31-A35 WeakPolarHBondContact O-CB 3.23Å; S31-A35 PolarHBondContact O-N 3.07Å
32K89.8Confident84.5Confident159 Ų15987.4 Ų87.469%0.69146%0.464SS*.Hα-helixtrans-75-55.3176.4-68.3-174.1174.2-1760112.4C30 F34 A35 D36C30-K32 PolarHBondContact O-N 3.31Å; C30-K32 VanDerWaalsContact O-N 3.09Å; K32-F34 PolarHBondContact O-N 2.98Å; K32-A35 PolarHBondContact O-N 3.11Å; K32-A35 VanDerWaalsContact O-N 3.15Å; K32-D36 VanDerWaalsContact O-CG 3.29Å; K32-D36 PolarHBondContact O-N 3.5Å
33C90.6Very high83.3Confident30 Ų3093 Ų9320%0.20349%0.489CS..Hα-helixtrans-64.7-28.7-179.6-63.20000112.4L29 C30 I37L29-C33 HydrophobicContact CB-CB 4.31Å; L29-C33 HydrophobicContact CD2-CB 4.02Å; L29-C33 HydrophobicContact CG-CB 4.42Å; C30-C33 PolarHBondContact O-N 3.45Å; C30-C33 PolarHBondContact SG-N 3.36Å; C30-C33 PolarHBondContact SG-SG 3.09Å; C33-I37 WeakPolarHBondContact O-CG1 3.18Å; C33-I37 PolarHBondContact O-N 3.49Å
34F90.6Very high82.2Confident44 Ų4497.6 Ų97.619%0.19350%0.504CS..Hα-helixtrans-67.1-48173.5-172.9-104.8000111.2T26 L29 C30 K32 D36 I37 E38T26-F34 HydrophobicContact CG2-CB 4.29Å; T26-F34 HydrophobicContact CG2-CD1 3.81Å; T26-F34 HydrophobicContact CG2-CD2 4.24Å; T26-F34 HydrophobicContact CG2-CE1 4.16Å; T26-F34 HydrophobicContact CG2-CG 3.84Å; T26-F34 VanDerWaalsContact O-CD2 3.28Å; T26-F34 WeakPolarHBondContact O-CD2 3.32Å; L29-F34 HydrophobicContact CB-CB 4.13Å; C30-F34 VanDerWaalsContact O-CB 3.27Å; C30-F34 WeakPolarHBondContact O-CB 3.27Å; C30-F34 PolarHBondContact O-N 3.39Å; K32-F34 PolarHBondContact O-N 2.98Å; F34-D36 VanDerWaalsContact C-N 3.32Å; F34-D36 PolarHBondContact O-N 3.35Å; F34-I37 PolarHBondContact O-N 2.87Å; F34-E38 HydrophobicContact CD1-CG 4.25Å; F34-E38 WeakPolarHBondContact CD1-OE2 3.35Å; F34-E38 HydrophobicContact CE1-CG 3.9Å; F34-E38 VanDerWaalsContact CE1-OE1 3.25Å; F34-E38 WeakPolarHBondContact CE1-OE1 3.43Å; F34-E38 WeakPolarHBondContact CE1-OE2 3.34Å; F34-E38 HydrophobicContact CE2-CG 4.49Å; F34-E38 HydrophobicContact CZ-CG 4.01Å; F34-E38 WeakPolarHBondContact CZ-OE1 3.33Å; F34-E38 PolarHBondContact O-N 2.97Å
35A91.8Very high80.7Confident44 Ų4499.2 Ų99.236%0.36450%0.504SS..Hα-helixtrans-60.9-39.7175.700000112.5S31 K32 I37 E38 Q39S31-A35 WeakPolarHBondContact O-CB 3.23Å; S31-A35 PolarHBondContact O-N 3.07Å; K32-A35 PolarHBondContact O-N 3.11Å; K32-A35 VanDerWaalsContact O-N 3.15Å; A35-I37 VanDerWaalsContact C-N 3.31Å; A35-I37 PolarHBondContact O-N 2.95Å; A35-E38 PolarHBondContact O-N 3.31Å; A35-Q39 VanDerWaalsContact O-CB 3.26Å; A35-Q39 WeakPolarHBondContact O-CB 3.32Å; A35-Q39 PolarHBondContact O-N 3.46Å
36D89.8Confident79Confident101 Ų10195.4 Ų95.454%0.5450%0.501SS..Hα-helixtrans-62.8-37177.3-65.7-23.9000112.2K32 F34 K40K32-D36 VanDerWaalsContact O-CG 3.29Å; K32-D36 PolarHBondContact O-N 3.5Å; F34-D36 VanDerWaalsContact C-N 3.32Å; F34-D36 PolarHBondContact O-N 3.35Å; D36-K40 WeakPolarHBondContact O-CB 3.49Å; D36-K40 PolarHBondContact O-N 2.9Å
37I85.3Confident76.9Confident79 Ų79100 Ų10041%0.40553%0.529SS..Hα-helixtrans-76.1-41.8176.8-67.6-175.3000111.2L29 C33 F34 A35 Q39 K40 Q41L29-I37 HydrophobicContact CD2-CD1 3.28Å; L29-I37 HydrophobicContact CD2-CG1 4.2Å; C33-I37 WeakPolarHBondContact O-CG1 3.18Å; C33-I37 PolarHBondContact O-N 3.49Å; F34-I37 PolarHBondContact O-N 2.87Å; A35-I37 VanDerWaalsContact C-N 3.31Å; A35-I37 PolarHBondContact O-N 2.95Å; I37-Q39 VanDerWaalsContact C-N 3.35Å; I37-Q39 PolarHBondContact O-N 2.83Å; I37-K40 CarbonylContact O-C 3.55Å; I37-K40 PolarHBondContact O-N 3.47Å; I37-K40 VanDerWaalsContact O-N 3.17Å; I37-Q41 HydrophobicContact CG2-CG 4.3Å; I37-Q41 WeakPolarHBondContact O-CG 3.46Å; I37-Q41 PolarHBondContact O-N 2.98Å
38E85.1Confident75Confident93 Ų9398.3 Ų98.344%0.43553%0.532SS..Hα-helixtrans-61-45.1176.4-75.6-171.8126.600111.3F34 A35 K40 Q41 T42F34-E38 HydrophobicContact CD1-CG 4.25Å; F34-E38 WeakPolarHBondContact CD1-OE2 3.35Å; F34-E38 HydrophobicContact CE1-CG 3.9Å; F34-E38 VanDerWaalsContact CE1-OE1 3.25Å; F34-E38 WeakPolarHBondContact CE1-OE1 3.43Å; F34-E38 WeakPolarHBondContact CE1-OE2 3.34Å; F34-E38 HydrophobicContact CE2-CG 4.49Å; F34-E38 HydrophobicContact CZ-CG 4.01Å; F34-E38 WeakPolarHBondContact CZ-OE1 3.33Å; F34-E38 PolarHBondContact O-N 2.97Å; A35-E38 PolarHBondContact O-N 3.31Å; E38-K40 PolarHBondContact O-N 3.21Å; E38-Q41 PolarHBondContact O-N 3Å; E38-T42 PolarHBondContact O-N 3.22Å; E38-T42 PolarHBondContact O-OG1 3.11Å
39Q82.8Confident73.6Confident145 Ų145105.5 Ų105.568%0.67856%0.561SS**Hα-helixtrans-61.8-28.9177.8-170.1166.212.500112.2A35 I37 T42A35-Q39 VanDerWaalsContact O-CB 3.26Å; A35-Q39 WeakPolarHBondContact O-CB 3.32Å; A35-Q39 PolarHBondContact O-N 3.46Å; I37-Q39 VanDerWaalsContact C-N 3.35Å; I37-Q39 PolarHBondContact O-N 2.83Å; Q39-T42 PolarHBondContact O-OG1 3.3Å
40K78.6Confident72.1Confident165 Ų165109.3 Ų109.372%0.71759%0.587SS**Hα-helixtrans-83.7-26.3175.3-162.6171.4-178.5-163.40113.4D36 I37 E38D36-K40 WeakPolarHBondContact O-CB 3.49Å; D36-K40 PolarHBondContact O-N 2.9Å; I37-K40 CarbonylContact O-C 3.55Å; I37-K40 PolarHBondContact O-N 3.47Å; I37-K40 VanDerWaalsContact O-N 3.17Å; E38-K40 PolarHBondContact O-N 3.21Å
41Q69.1Low69.8Low131 Ų131114 Ų11461%0.61262%0.621SS**Hα-helixtrans-79.1-34.1175.9-76.4-173.3-8.800112.6I37 E38 D43 E44 D45I37-Q41 HydrophobicContact CG2-CG 4.3Å; I37-Q41 WeakPolarHBondContact O-CG 3.46Å; I37-Q41 PolarHBondContact O-N 2.98Å; E38-Q41 PolarHBondContact O-N 3Å; Q41-D43 PolarHBondContact O-N 3.37Å; Q41-E44 PolarHBondContact O-N 3.23Å; Q41-D45 PolarHBondContact O-N 3.46Å
42T62Low68.6Low109 Ų109114.9 Ų114.967%0.66962%0.624SS**THydrogen-bonded Turntrans-69.1-19.5176.751.80000113.5E38 Q39E38-T42 PolarHBondContact O-N 3.22Å; E38-T42 PolarHBondContact O-OG1 3.11Å; Q39-T42 PolarHBondContact O-OG1 3.3Å
43D58.8Low65.9Low139 Ų139112.7 Ų112.774%0.74363%0.628SS**THydrogen-bonded Turntrans-86.3-17.5176.8-145.1-103000112.4Q41Q41-D43 PolarHBondContact O-N 3.37Å
44E60.7Low63.4Low154 Ų154118.5 Ų118.572%0.7266%0.663SS**SBendtrans-109.813.9-175.8-101.1-83.4113.300113.6Q41Q41-E44 PolarHBondContact O-N 3.23Å
45D50.7Low60.7Low144 Ų144119.6 Ų119.677%0.7769%0.687SS**SBendtrans-107.818.3170.9-164.9-120.3000112.4Q41Q41-D45 PolarHBondContact O-N 3.46Å
46C48.8Very low58.5Low113 Ų113123 Ų12376%0.76471%0.708SS**SBendtrans-119.628171.1-146.60000113.6
47T42.9Very low56.4Low122 Ų122122.7 Ų122.775%0.74871%0.714SS**  trans-143.185.8164.8-66.10000111.3
48S44.7Very low54.5Low113 Ų113127.9 Ų127.979%0.7974%0.736SS**  trans-102.498.1161.325.70000110.7
49K57.4Low53Low196 Ų196131.6 Ų131.685%0.85276%0.758SS**  trans45.6167.1131-79.9-179-177.7173.70121.7
50P57.2Low50.6Low110 Ų110130 Ų13071%0.71476%0.763SS**  cis-143.4175.3-4.433.5-10.2000119.1
51S42.6Very low48.4Very low110 Ų110128.5 Ų128.577%0.76977%0.768SS**  trans96.5167.5138.974.80000121
52P61.7Low46.7Very low112 Ų112131.6 Ų131.673%0.72778%0.779SS**  -134.3160-84.538.4-20.5000115.5
53S33.3Very low45.5Very low112 Ų112131.8 Ų131.878%0.78379%0.785SS**  trans166.3115.1149.131.50000110
54T37.2Very low44.3Very low152 Ų152128.2 Ų128.293%0.93378%0.781SS**  93.8119.777.5-61.90000113.8
55G35Very low43.1Very low67 Ų67129.8 Ų129.869%0.69179%0.788SS**  trans107.693.4160.600000114.6
56S45.4Very low42.6Very low116 Ų116128.6 Ų128.681%0.81179%0.787SS**  53119.279.1-1500000112
57S46.2Very low42.5Very low94 Ų94128.3 Ų128.366%0.65779%0.786SS**  cis-169.614149-73.30000112.3
58Q45.2Very low43Very low188 Ų188127.3 Ų127.388%0.87978%0.784SS**  trans64.6139.5130-56.4-165.312.100124.2
59L53.3Low43.1Very low172 Ų172128.8 Ų128.890%0.90178%0.783SS**  trans-58.4150.9177.8-65.3142.2000115.7
60S30.9Very low42.6Very low111 Ų111123.8 Ų123.878%0.77677%0.773SS**  trans-177.7118.9138.336.90000109.4
61V32.8Very low42.1Very low134 Ų134122.2 Ų122.281%0.81277%0.765SS**  66.610395.1-176.50000114.4
62F33.8Very low42.3Very low195 Ų195125.3 Ų125.386%0.85577%0.767SS**  trans45.5143.2133.4-107.5-82.1000124.7
63S36.3Very low41.3Very low113 Ų113123.7 Ų123.779%0.7976%0.758SS**  trans84.3132.3151.1-58.30000118.8
64G34.4Very low41.6Very low64 Ų64125.9 Ų125.966%0.6676%0.76SS**  cis176.2179-000000114.9
65E35.5Very low41.5Very low187 Ų187122.9 Ų122.987%0.87475%0.746SS**  trans73.5131.3147.2-34.5-170.6129.300117.8
66T40.1Very low41.3Very low120 Ų120125 Ų12574%0.73675%0.75SS**  -161.1147.451.4460000112.9
67S47.2Very low41Very low107 Ų107124.7 Ų124.775%0.74875%0.748SS**  trans72.2127.8138.1-62.20000119.7
68S52Low41.7Very low101 Ų101125.5 Ų125.571%0.70675%0.75SS**  cis-164.9148.212.4-88.50000112.1
69N48.4Very low41.6Very low143 Ų143122.2 Ų122.277%0.76575%0.746SS**  trans57.7112.4145.2-90.135.8000120.4
70S45.8Very low40.5Very low91 Ų91120.3 Ų120.364%0.63674%0.741SS**  89.1135.774.3-74.10000110.2
71S47.8Very low40.6Very low78 Ų78120 Ų12055%0.54574%0.739SS.*  cis-175142.52.7-102.70000106.6
72Q45.3Very low40.6Very low174 Ų174118.6 Ų118.681%0.81374%0.735SS**  trans71.5142.6135.1-61.9177.781.400118.3
73S42.3Very low40.5Very low79 Ų79118.1 Ų118.155%0.55274%0.736SS**  cis-180141.4-5.5-100.20000107.5
74L38.8Very low40.6Very low157 Ų157121 Ų12182%0.82274%0.737SS**  55.2144.6129.3-47.7169.5000118.3
75S34.4Very low41.2Very low90 Ų90123.1 Ų123.163%0.62974%0.739SS**  cis169.8168-6.748.10000105.3
76S31.2Very low40.9Very low111 Ų111119.5 Ų119.578%0.77673%0.734SS**  trans91.796.4152.6-40.80000118.5
77S39.2Very low40.4Very low110 Ų110120 Ų12077%0.76974%0.737SS**  trans-71.8177.8139.452.60000111.1
78P60.2Low39.6Very low110 Ų110119.7 Ų119.771%0.71473%0.734SS**  cis-122.7-165.6-42.835.3-15.7000109.9
79P44.3Very low38.7Very low120 Ų120120.4 Ų120.478%0.77974%0.735SS**  -147.6169.888.135.8-15.8000116.1
80T29.3Very low38.1Very low131 Ų131121.8 Ų121.880%0.80474%0.737SS**  trans-51.6150.6172-166.50000115.9
81S33.6Very low37.5Very low105 Ų105123.8 Ų123.873%0.73474%0.74SS**  171152.5114-157.50000113.1
82S33.3Very low37.4Very low105 Ų105125.9 Ų125.973%0.73475%0.752SS**  trans-29157.6171-52.70000117.1
83E32.2Very low37Very low184 Ų184123.3 Ų123.386%0.8675%0.748SS**  -178.1153.959.2-150.3173.587.300109.5
84Q37.2Very low37.2Very low175 Ų175124.9 Ų124.982%0.81876%0.756SS**  trans-79.2-171.4156.4-65-157.7-68.100109.1
85P46.9Very low36.7Very low108 Ų108123.8 Ų123.870%0.70176%0.756SS**  cis-139.3176.2-339.4-19000115.8
86S29.8Very low36.8Very low111 Ų111126.8 Ų126.878%0.77677%0.765SS**  trans176.9116.7144.932.90000110.6
87V29.1Very low37.2Very low131 Ų131127.2 Ų127.279%0.79477%0.765SS**  49.7113.283.722.70000118.6
88S31Very low36.7Very low99 Ų99127.4 Ų127.469%0.69276%0.761SS**  158.9118.4129.6-64.60000109.4
89T32.6Very low35.2Very low117 Ų117128.1 Ų128.172%0.71876%0.764SS**  57.9120.298.5-28.20000111.9
90E35.3Very low34.7Very low172 Ų172130.6 Ų130.680%0.80477%0.765SS**  -165.3152.286.4-51.8-68.481.400112.6
91D34.3Very low34.8Very low133 Ų133133.3 Ų133.371%0.71177%0.768SS**  trans-68.3159.9163.3-136.2-77.9000111V93D91-V93 PolarHBondContact OD1-N 3.14Å
92P46.2Very low34.7Very low122 Ų122132 Ų13279%0.79277%0.771SS**  -153.2151.585.735.1-13.7000117.7
93V36.7Very low34.8Very low119 Ų119133.2 Ų133.272%0.72177%0.774SS**  trans-80.5141.9159.6169.50000110.4D91D91-V93 PolarHBondContact OD1-N 3.14Å
94P46.4Very low35.1Very low113 Ų113130.5 Ų130.573%0.73478%0.776SS**  -157.6148.694.236-12.2000120.3
95T28.6Very low34.9Very low134 Ų134126.9 Ų126.982%0.82277%0.769SS**  trans67.3128.7134.2-430000124.2
96L36.3Very low34.2Very low153 Ų153127.9 Ų127.980%0.80178%0.777SS**  trans-54.2156.4168.3-92.8125.8000116.3
97P39.5Very low34.5Very low120 Ų120128 Ų12878%0.77977%0.774SS**  -151.1153.290.836.8-16.7000118.9
98T27.6Very low34.9Very low113 Ų113130.2 Ų130.269%0.69378%0.776SS**  trans19.3151139.5-57.50000124.9
99T28.8Very low35.2Very low126 Ų126130.8 Ų130.877%0.77378%0.775SS**  trans90.9144.6165.471.40000116.1
100Q34.6Very low35.4Very low172 Ų172129.1 Ų129.180%0.80477%0.773SS**  cis-171.2144.1-8.2157.5179.3-4.500106.5
101E30.7Very low35.7Very low187 Ų187130.2 Ų130.287%0.87478%0.778SS**  trans6.2138.8152-56.5-105.495.100120.4
102G32.2Very low35.5Very low77 Ų77126.9 Ų126.979%0.79478%0.775SS**  trans-165.975.9169.500000113.2
103V35.7Very low35.2Very low132 Ų132127.3 Ų127.380%0.878%0.776SS**  trans-49.5142.616653.40000112.9
104S38.4Very low35.2Very low127 Ų127129 Ų12989%0.88878%0.78SS**  trans-160.2110.2145.2-82.90000111.5
105S33Very low34.6Very low98 Ų98130 Ų13069%0.68579%0.788SS**  trans-91.7144.8166.1167.80000108.5
106C32.6Very low35.1Very low129 Ų129129.8 Ų129.887%0.87279%0.787SS**  trans-154.1132.815042.40000112.2
107T35.7Very low35.5Very low115 Ų115127.7 Ų127.771%0.70678%0.782SS**  trans-91.2160.6-170.143.30000113.6
108E37.4Very low35.2Very low177 Ų177127.4 Ų127.483%0.82778%0.778SS**  trans50152.1140.1-78.7-150.447.300121.7
109T36.7Very low35.9Very low111 Ų111129.9 Ų129.968%0.68178%0.78SS**  cis-174.1162.5-9.8-74.30000106.8
110A37.6Very low36.6Very low81 Ų81133.8 Ų133.867%0.66978%0.78SS**  trans95139.2157.700000117.9
111Q40.1Very low37.5Very low196 Ų196130.8 Ų130.892%0.91678%0.776SS**  cis-172.5157.4-4.1-106.5170.9-3.100107.6
112G29.7Very low37.5Very low62 Ų62128.4 Ų128.464%0.63978%0.778SS**  trans14298.9148.100000119.5
113T40.1Very low37.6Very low132 Ų132132.5 Ų132.581%0.8178%0.776SS**  trans58.6136.9132.443.10000121
114L37.9Very low37.7Very low154 Ų154131.9 Ų131.981%0.80678%0.778SS**  cis-166.9151.2-2.4-85.5162.4000106.8
115C33.8Very low37.4Very low133 Ų133130.7 Ų130.790%0.89978%0.776SS**  trans176.1104.5136.5-96.50000111.8
116T38.1Very low37.8Very low131 Ų131132 Ų13280%0.80479%0.785SS**  trans-90.1-177.9158.451.80000109.7
117P46.3Very low37.7Very low108 Ų108129.2 Ų129.270%0.70178%0.778SS**  cis-132.5171.6-1.229.8-5.8000113.6
118T32.3Very low37.9Very low115 Ų115128.9 Ų128.971%0.70678%0.781SS**  174.211888-69.80000111.7
119K42.8Very low37.9Very low165 Ų165128.2 Ų128.272%0.71778%0.777SS**  trans57.9140141.7-53.6-81.8-176.3175.60119
120R42.1Very low37.9Very low207 Ų207128.4 Ų128.478%0.78178%0.783SS**  cis-163161.41.5-126.1-171.1-101.9-157.8-8.6107.2
121P53.8Low37.9Very low110 Ų110133.5 Ų133.571%0.71479%0.793SS**  trans-99170.4-171.539.5-30.5000112.4
122C32.1Very low37.6Very low136 Ų136129 Ų12992%0.91979%0.789SS**  trans-155.3136.9144.7-140.40000111.9
123E33.9Very low38.2Very low164 Ų164130.6 Ų130.677%0.76679%0.791SS**  trans-106.9153.2-178.6-36.9-175121.200108.3
124S38Very low38.5Very low118 Ų118130.3 Ų130.383%0.82579%0.791SS**  trans74.4137.2148.9-54.40000120.2
125A32.1Very low38.8Very low102 Ų102131.8 Ų131.884%0.84379%0.794SS**  trans136.1111.7133.600000114.4
126S40.9Very low39.1Very low126 Ų126134.7 Ų134.788%0.88179%0.791SS**  trans-31.8151.4155.6-166.40000117.7
127G31.5Very low39.2Very low71 Ų71137.9 Ų137.973%0.73279%0.789SS**  trans105.7113.7139.500000116.7
128S38.5Very low39Very low108 Ų108137.2 Ų137.276%0.75579%0.792SS**  172.5131.4117.5-172.80000110.4
129E36.9Very low39.2Very low163 Ų163142.5 Ų142.576%0.76280%0.799SS**  trans-48.7153166.460.3-130.682.500114.9
130S36.7Very low39.3Very low115 Ų115146.2 Ų146.280%0.80481%0.809SS**  172.4131.6113-72.60000112.7
131E38Very low39.3Very low187 Ų187142.4 Ų142.487%0.87480%0.804SS**  trans-50144.7172-59.6-83.2105.600115.2
132A34.6Very low38.9Very low101 Ų101144.4 Ų144.484%0.83581%0.808SS**  trans-16497142.500000111.1
133S42.3Very low39.4Very low96 Ų96145.3 Ų145.367%0.67180%0.798SS**  trans-69149.4158.4-173.30000109.8
134P46.3Very low39.5Very low127 Ų127141.6 Ų141.683%0.82580%0.804SS**  -140.2144.399.731.2-14.1000114.4
135E43.4Very low40Very low184 Ų184143.6 Ų143.686%0.8680%0.801SS**  trans-58.7138.4173.3-59.3177.187.900113.5
136K40Very low40.6Very low194 Ų194143 Ų14384%0.84380%0.796SS**  trans-158.7108.2141.1-146.6168.5-178.2176.70114.2
137R41.7Very low40.5Very low199 Ų199140.4 Ų140.475%0.75178%0.781SS**  trans72.899.8143.9-169.4166.6-96.7178-7.9118.3
138A41.2Very low41Very low93 Ų93142.5 Ų142.577%0.76979%0.785SS**  trans-54.1139.7155.100000112.7
139R37.1Very low41.5Very low226 Ų226145.8 Ų145.885%0.85379%0.789SS**  trans-132.1113.2148.9-71.2-160.7173.8-159.7-0.5108.1
140R43.7Very low42.4Very low243 Ų243146.2 Ų146.292%0.91779%0.79SS**  trans-73.7125.1156.9-65.8-171.7-168.9-173.23.7106.7
141D41.7Very low43.2Very low128 Ų128146.2 Ų146.268%0.68479%0.788SS**  85.8122.8102.8-160.5-84.9000112.1
142L45.8Very low43.7Very low151 Ų151142.3 Ų142.379%0.79178%0.781SS**  trans-173.195.9148.3-98.4139.8000109
143E43.6Very low45.1Very low155 Ų155149.2 Ų149.272%0.72479%0.786SS**  52.6103.7129.3-65174.191.900118.9
144G36Very low46.1Very low86 Ų86146.8 Ų146.889%0.88778%0.776SS**  trans-11686151.100000108.8
145E47Very low47.3Very low161 Ų161146 Ų14675%0.75277%0.771SS**  trans-75114.4172.3-147.7-63.491.900109.1A147E145-A147 PolarHBondContact OE1-N 3.29Å
146A46Very low49.1Very low90 Ų90145 Ų14574%0.74476%0.763SS**  trans-173.764.4153.800000107.2
147A39.3Very low51.3Low70 Ų70137.3 Ų137.358%0.57973%0.731SS**  trans-105.788.3173.100000109.2E145 E149E145-A147 PolarHBondContact OE1-N 3.29Å; A147-E149 PolarHBondContact O-N 3.18Å; A147-E149 VanDerWaalsContact O-N 3.14Å
148S41.4Very low53.5Low116 Ų116138.2 Ų138.281%0.81174%0.74SS**  trans-64.3109.4160.8-49.30000108.2E150S148-E150 PolarHBondContact O-N 3.37Å
149E49.8Very low55.8Low177 Ų177138.7 Ų138.783%0.82773%0.73SS**  trans-64.4107.2175.2-70.6-77.8110.600110.1A147A147-E149 PolarHBondContact O-N 3.18Å; A147-E149 VanDerWaalsContact O-N 3.14Å
150E54.9Low58.5Low171 Ų171133.2 Ų133.280%0.79971%0.709SS**  trans-122127.4166.3-82.5-72.3124.600109S148 S152S148-E150 PolarHBondContact O-N 3.37Å; E150-S152 PolarHBondContact O-N 2.96Å
151P53.3Low60.9Low115 Ų115129.2 Ų129.275%0.74769%0.694SS**  trans-84.1111.1-177.432.6-29.9000110.5
152S48.2Very low63.5Low106 Ų106129.3 Ų129.374%0.74169%0.685SS**  trans167.579.3136.548.50000111.9E150 G154E150-S152 PolarHBondContact O-N 2.96Å; S152-G154 VanDerWaalsContact C-N 3.29Å; S152-G154 PolarHBondContact O-N 2.87Å; S152-G154 VanDerWaalsContact O-N 3.11Å
153R63.7Low65.9Low245 Ų245122.2 Ų122.293%0.92565%0.647SS**  trans-83.477164.9-62.5-167.7-161.9-150.36109.7
154G64.6Low68.4Low45 Ų45120.3 Ų120.346%0.46464%0.635SS.*  trans-67.1163.9165.100000111.9S152 K156S152-G154 VanDerWaalsContact C-N 3.29Å; S152-G154 PolarHBondContact O-N 2.87Å; S152-G154 VanDerWaalsContact O-N 3.11Å; G154-K156 PolarHBondContact O-N 3.4Å; G154-K156 VanDerWaalsContact O-N 3.09Å
155P71.3Confident71.2Confident110 Ų110121.4 Ų121.471%0.71461%0.612SS**  trans-58.9114.2176.5-18.730.1000110.8
156K80.6Confident73.5Confident163 Ų163116.2 Ų116.271%0.70959%0.593SS**  trans-88.9145.6177.2-63.7-178-177.6-177.60110.8G154 K158G154-K156 PolarHBondContact O-N 3.4Å; G154-K156 VanDerWaalsContact O-N 3.09Å; K156-K158 PolarHBondContact O-N 2.94Å
157Q87.5Confident75.9Confident33 Ų33117.9 Ų117.915%0.15459%0.585CS.*  trans-65.3120177.4-171.4177.3-16.400111.6N159 R162 Y184Q157-N159 VanDerWaalsContact C-N 3.33Å; Q157-N159 PolarHBondContact NE2-O 3.12Å; Q157-N159 PolarHBondContact O-N 3.27Å; Q157-R162 PolarHBondContact NE2-O 3.03Å; Q157-Y184 HydrophobicContact CB-CD1 3.87Å; Q157-Y184 HydrophobicContact CB-CE1 4.39Å; Q157-Y184 HydrophobicContact CG-CD1 4.43Å
158K86.4Confident78.6Confident218 Ų218118.3 Ų118.395%0.94858%0.581SS**SBendtrans-62.7-38.4178.7-59.9176.3-176.6179.80112.5K156K156-K158 PolarHBondContact O-N 2.94Å
159N89.3Confident81.3Confident103 Ų103120.7 Ų120.755%0.55158%0.576SS**  trans-117.188.4-174-147.3-43.8000111.3Q157 R161Q157-N159 VanDerWaalsContact C-N 3.33Å; Q157-N159 PolarHBondContact NE2-O 3.12Å; Q157-N159 PolarHBondContact O-N 3.27Å; N159-R161 PolarHBondContact O-N 3.1Å
160R94.1Very high83.5Confident111 Ų111112.7 Ų112.742%0.41954%0.539SS..THydrogen-bonded Turntrans-71-6.6-177.3-61.8-173.772.6-150-3.4113.7R162 Q175 V185R160-R162 VanDerWaalsContact C-N 3.25Å; R160-R162 PolarHBondContact O-N 3.23Å; R160-Q175 WeakPolarHBondContact O-CG 3.5Å; R160-Q175 PolarHBondContact O-NE2 2.74Å; R160-V185 HydrophobicContact CB-CG2 4Å; R160-V185 HydrophobicContact CG-CG2 4.04Å
161R95.6Very high85.4Confident160 Ų160111.1 Ų111.160%0.60453%0.532SS*.THydrogen-bonded Turntrans-80.1-2.3-175.8-64.3-175.5179-96.25.3113.8N159 L170N159-R161 PolarHBondContact O-N 3.1Å; R161-L170 PolarHBondContact O-N 2.96Å
162R96.4Very high87.4Confident130 Ų130112.1 Ų112.149%0.49153%0.53SS..BIsolated β-bridgetrans-131.3149.7177.2-86-178.4171-1308.8110.5Q157 R160 Q167 T168Q157-R162 PolarHBondContact NE2-O 3.03Å; R160-R162 VanDerWaalsContact C-N 3.25Å; R160-R162 PolarHBondContact O-N 3.23Å; R162-Q167 WeakPolarHBondContact CD-O 3.42Å; R162-Q167 WeakPolarHBondContact CG-O 3.47Å; R162-Q167 PolarHBondContact NE-O 3.42Å; R162-Q167 PolarHBondContact NH1-O 3Å; R162-T168 CarbonylContact C-O 3.56Å; R162-T168 VanDerWaalsContact CA-O 3.23Å; R162-T168 WeakPolarHBondContact CA-O 3.49Å
163C96.1Very high89.7Confident1 Ų1111.7 Ų111.71%0.00752%0.523CS..  trans-61.6135170.7175.90000110.5R165 C166 Q167 T168 L170 V185 C187C163-R165 VanDerWaalsContact C-N 3.31Å; C163-R165 PolarHBondContact O-N 3.35Å; C163-R165 PolarHBondContact SG-N 3.21Å; C163-R165 VanDerWaalsContact SG-N 3.41Å; C163-C166 PolarHBondContact SG-SG 3.34Å; C163-Q167 WeakPolarHBondContact O-CA 3.47Å; C163-Q167 PolarHBondContact O-N 3.07Å; C163-T168 PolarHBondContact N-O 3.34Å; C163-L170 HydrophobicContact CB-CD2 4.27Å; C163-V185 CarbonylContact C-O 3.52Å; C163-V185 WeakPolarHBondContact CA-O 3.48Å; C163-C187 HydrophobicContact CB-CB 4.2Å; C163-C187 PolarHBondContact SG-N 3.02Å
164Y95.8Very high91.2Very high116 Ų116102.2 Ų102.246%0.45549%0.489SS..THydrogen-bonded Turntrans-68.1-29.4178.2-176.1-110.3000113.4Y184 V185 F186Y164-Y184 AromaticContact CD1-CD1 3.81Å; Y164-Y184 HydrophobicContact CD1-CD1 3.81Å; Y164-Y184 HydrophobicContact CD1-CD2 4.29Å; Y164-Y184 HydrophobicContact CD1-CE1 4.27Å; Y164-Y184 AromaticContact CD1-CG 3.85Å; Y164-Y184 HydrophobicContact CD1-CG 3.85Å; Y164-Y184 AromaticContact CD2-CD1 3.42Å; Y164-Y184 HydrophobicContact CD2-CD1 3.42Å; Y164-Y184 VanDerWaalsContact CD2-CD1 3.42Å; Y164-Y184 AromaticContact CD2-CE1 3.75Å; Y164-Y184 HydrophobicContact CD2-CE1 3.75Å; Y164-Y184 HydrophobicContact CD2-CG 4.25Å; Y164-Y184 AromaticContact CE1-CD1 3.97Å; Y164-Y184 HydrophobicContact CE1-CD1 3.97Å; Y164-Y184 HydrophobicContact CE1-CD2 4.29Å; Y164-Y184 AromaticContact CE1-CE1 3.95Å; Y164-Y184 HydrophobicContact CE1-CE1 3.95Å; Y164-Y184 HydrophobicContact CE1-CE2 4.27Å; Y164-Y184 HydrophobicContact CE1-CG 4.18Å; Y164-Y184 AromaticContact CE2-CD1 3.6Å; Y164-Y184 HydrophobicContact CE2-CD1 3.6Å; Y164-Y184 AromaticContact CE2-CE1 3.38Å; Y164-Y184 HydrophobicContact CE2-CE1 3.38Å; Y164-Y184 AromaticContact CG-CD1 3.53Å; Y164-Y184 HydrophobicContact CG-CD1 3.53Å; Y164-Y184 HydrophobicContact CG-CE1 4.18Å; Y164-Y184 AromaticContact CG-CG 3.89Å; Y164-Y184 HydrophobicContact CG-CG 3.89Å; Y164-Y184 AromaticContact CZ-CD1 3.87Å; Y164-Y184 AromaticContact CZ-CE1 3.49Å; Y164-Y184 VanDerWaalsContact CZ-CE1 3.49Å; Y164-Y184 AromaticContact CZ-CZ 3.82Å; Y164-V185 PolarHBondContact N-O 3.26Å; Y164-F186 HydrophobicContact CD1-CE1 4.09Å; Y164-F186 HydrophobicContact CD1-CZ 4.29Å; Y164-F186 HydrophobicContact CG-CE1 4.38Å
165R94.7Very high92.6Very high109 Ų109101.2 Ų101.241%0.41147%0.472SS..THydrogen-bonded Turntrans-84.9-53.6-177.9-173.958.762.8144.8-1.3113.4C163 F186 H190 H196 D197C163-R165 VanDerWaalsContact C-N 3.31Å; C163-R165 PolarHBondContact O-N 3.35Å; C163-R165 PolarHBondContact SG-N 3.21Å; C163-R165 VanDerWaalsContact SG-N 3.41Å; R165-F186 HydrophobicContact CB-CD1 4.31Å; R165-F186 HydrophobicContact CB-CE1 4.37Å; R165-H190 HydrophobicContact CB-CB 4.27Å; R165-H196 PolarHBondContact NH2-O 3.14Å; R165-D197 IonicContact CZ-OD2 2.75Å; R165-D197 VanDerWaalsContact CZ-OD2 3.24Å; R165-D197 IonicContact NH1-OD2 3.98Å; R165-D197 PolarHBondContact NH1-OD2 3.2Å; R165-D197 IonicContact NH2-OD2 2.85Å; R165-D197 PolarHBondContact NH2-OD2 2.89Å
166C95.5Very high93.8Very high51 Ų51101.8 Ų101.835%0.34547%0.465SS..THydrogen-bonded Turntrans-106.5-1.2-176.364.70000114.5C163 T168 C187 H190C163-C166 PolarHBondContact SG-SG 3.34Å; C166-T168 PolarHBondContact O-N 3.25Å; C166-T168 PolarHBondContact SG-OG1 2.88Å; C166-C187 VanDerWaalsContact SG-SG 3.66Å; C166-H190 PolarHBondContact SG-ND1 3.15Å
167Q94.9Very high94.5Very high126 Ų12699.5 Ų99.559%0.58946%0.46SS*.  trans58.213.5-179.9-53.3-176.82.800115.3R162 C163R162-Q167 WeakPolarHBondContact CD-O 3.42Å; R162-Q167 WeakPolarHBondContact CG-O 3.47Å; R162-Q167 PolarHBondContact NE-O 3.42Å; R162-Q167 PolarHBondContact NH1-O 3Å; C163-Q167 WeakPolarHBondContact O-CA 3.47Å; C163-Q167 PolarHBondContact O-N 3.07Å
168T96.7Very high94.8Very high79 Ų7998.1 Ų98.149%0.48546%0.455SS..PPolyproline II helixtrans-63140.5173.8-51.60000110.6R162 C163 C166 L170R162-T168 CarbonylContact C-O 3.56Å; R162-T168 VanDerWaalsContact CA-O 3.23Å; R162-T168 WeakPolarHBondContact CA-O 3.49Å; C163-T168 PolarHBondContact N-O 3.34Å; C166-T168 PolarHBondContact O-N 3.25Å; C166-T168 PolarHBondContact SG-OG1 2.88Å; T168-L170 PolarHBondContact O-N 3.24Å
169K97.3Very high95.3Very high166 Ų16690.6 Ų90.672%0.72243%0.43SS*.BIsolated β-bridgetrans-63.7132.4175.5-171.7179.9179.8-173.90109.6
170L96.7Very high95.5Very high8 Ų886.7 Ų86.74%0.04241%0.41CS..PPolyproline II helixtrans-103.1137.8-179.8-58.7179.3000109.9R161 C163 T168 Q174 Q175 V185 C187R161-L170 PolarHBondContact O-N 2.96Å; C163-L170 HydrophobicContact CB-CD2 4.27Å; T168-L170 PolarHBondContact O-N 3.24Å; L170-Q174 HydrophobicContact CB-CB 4.14Å; L170-Q174 HydrophobicContact CD2-CB 4.23Å; L170-Q175 HydrophobicContact CB-CG 3.79Å; L170-Q175 HydrophobicContact CD1-CG 4.42Å; L170-V185 HydrophobicContact CD1-CB 4.33Å; L170-V185 HydrophobicContact CD1-CG1 3.49Å; L170-V185 VanDerWaalsContact CD1-CG1 3.49Å; L170-C187 HydrophobicContact CD2-CB 3.63Å
171E95.7Very high95.4Very high138 Ų13888.5 Ų88.565%0.64542%0.417SS*.PPolyproline II helixtrans-70.4160.6165.1-64.4-179.4170.900110.7V173 Q174 Q175E171-V173 PolarHBondContact O-N 3.25Å; E171-Q174 HydrophobicContact CB-CG 4.4Å; E171-Q174 CarbonylContact O-C 3.6Å; E171-Q174 WeakPolarHBondContact O-CA 3.33Å; E171-Q174 WeakPolarHBondContact O-CB 3.49Å; E171-Q174 PolarHBondContact O-N 3.22Å; E171-Q175 WeakPolarHBondContact O-CG 3.37Å; E171-Q175 PolarHBondContact O-N 3.41Å
172L95Very high95.3Very high136 Ų13682.4 Ų82.471%0.71240%0.399SS*.Hα-helixtrans-53.7-43.1179.8-85.3107.9000112.3Q174 Q175 E176L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 2.89Å; L172-Q175 WeakPolarHBondContact O-CB 3.48Å; L172-Q175 PolarHBondContact O-N 3.42Å; L172-E176 PolarHBondContact O-N 3.35Å
173V95.3Very high95.1Very high97 Ų9777.8 Ų77.859%0.58839%0.392SS*.Hα-helixtrans-63-41.5177.9176.40000111.3E171 Q175 E176 L177E171-V173 PolarHBondContact O-N 3.25Å; V173-Q175 VanDerWaalsContact C-N 3.31Å; V173-Q175 PolarHBondContact O-N 2.99Å; V173-E176 PolarHBondContact O-N 3.23Å; V173-L177 HydrophobicContact CG1-CD1 3.7Å; V173-L177 HydrophobicContact CG1-CG 4.31Å; V173-L177 WeakPolarHBondContact O-CB 3.25Å; V173-L177 WeakPolarHBondContact O-CG 3.29Å; V173-L177 PolarHBondContact O-N 3.47Å
174Q95.4Very high95.1Very high46 Ų4680.2 Ų80.222%0.21540%0.401CS..Hα-helixtrans-68.9-29.9177.3-68.3-177.5-43.900112.5L170 E171 L172 E176 G178L170-Q174 HydrophobicContact CB-CB 4.14Å; L170-Q174 HydrophobicContact CD2-CB 4.23Å; E171-Q174 HydrophobicContact CB-CG 4.4Å; E171-Q174 CarbonylContact O-C 3.6Å; E171-Q174 WeakPolarHBondContact O-CA 3.33Å; E171-Q174 WeakPolarHBondContact O-CB 3.49Å; E171-Q174 PolarHBondContact O-N 3.22Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 2.89Å; Q174-E176 VanDerWaalsContact C-N 3.32Å; Q174-G178 VanDerWaalsContact O-CA 3.32Å; Q174-G178 WeakPolarHBondContact O-CA 3.26Å; Q174-G178 PolarHBondContact O-N 2.92Å
175Q95.4Very high95.1Very high24 Ų2474.8 Ų74.811%0.11238%0.38CS..Hα-helixtrans-64.9-38.2175.1-69-175.5-85.500112.3R160 L170 E171 L172 V173 S179 V185R160-Q175 WeakPolarHBondContact O-CG 3.5Å; R160-Q175 PolarHBondContact O-NE2 2.74Å; L170-Q175 HydrophobicContact CB-CG 3.79Å; L170-Q175 HydrophobicContact CD1-CG 4.42Å; E171-Q175 WeakPolarHBondContact O-CG 3.37Å; E171-Q175 PolarHBondContact O-N 3.41Å; L172-Q175 WeakPolarHBondContact O-CB 3.48Å; L172-Q175 PolarHBondContact O-N 3.42Å; V173-Q175 VanDerWaalsContact C-N 3.31Å; V173-Q175 PolarHBondContact O-N 2.99Å; Q175-S179 PolarHBondContact O-N 2.6Å; Q175-V185 HydrophobicContact CB-CG1 4.34Å; Q175-V185 WeakPolarHBondContact O-CG1 3.27Å
176E94.7Very high95.2Very high122 Ų12269.6 Ų69.657%0.5736%0.361SS*.Hα-helixtrans-74.7-50.6177.9-67.2-54.1139.400111.2L172 V173 Q174 G178 S179L172-E176 PolarHBondContact O-N 3.35Å; V173-E176 PolarHBondContact O-N 3.23Å; Q174-E176 VanDerWaalsContact C-N 3.32Å; E176-G178 VanDerWaalsContact C-N 3.28Å; E176-G178 PolarHBondContact O-N 3.35Å; E176-S179 WeakPolarHBondContact O-CB 3.45Å; E176-S179 PolarHBondContact O-N 3.22Å; E176-S179 PolarHBondContact O-OG 3.41Å
177L95.8Very high95.3Very high116 Ų11667.8 Ų67.861%0.60735%0.348SS*.Hα-helixtrans-65.7-31.1179.5-67.6175.1000113.5V173 S179V173-L177 HydrophobicContact CG1-CD1 3.7Å; V173-L177 HydrophobicContact CG1-CG 4.31Å; V173-L177 WeakPolarHBondContact O-CB 3.25Å; V173-L177 WeakPolarHBondContact O-CG 3.29Å; V173-L177 PolarHBondContact O-N 3.47Å; L177-S179 VanDerWaalsContact C-N 3.31Å
178G95.3Very high95.3Very high4 Ų467.3 Ų67.34%0.04135%0.347CS..THydrogen-bonded Turntrans-87.12-179.700000113.9Q174 E176 C180 V185 F186Q174-G178 VanDerWaalsContact O-CA 3.32Å; Q174-G178 WeakPolarHBondContact O-CA 3.26Å; Q174-G178 PolarHBondContact O-N 2.92Å; E176-G178 VanDerWaalsContact C-N 3.28Å; E176-G178 PolarHBondContact O-N 3.35Å; G178-C180 PolarHBondContact O-N 3.17Å; G178-V185 CarbonylContact O-C 3.59Å; G178-V185 WeakPolarHBondContact O-CA 3.48Å; G178-F186 WeakPolarHBondContact CA-O 3.44Å; G178-F186 PolarHBondContact O-N 3.09Å
179S95.3Very high95.3Very high60 Ų6069.8 Ų69.842%0.4236%0.357SS..BIsolated β-bridgetrans-70.6117.617766.50000110.3Q175 E176 L177Q175-S179 PolarHBondContact O-N 2.6Å; E176-S179 WeakPolarHBondContact O-CB 3.45Å; E176-S179 PolarHBondContact O-N 3.22Å; E176-S179 PolarHBondContact O-OG 3.41Å; L177-S179 VanDerWaalsContact C-N 3.31Å
180C94.6Very high95.3Very high21 Ų2163.9 Ų63.914%0.14233%0.332CS..  trans-98.7151.8176.7-173.10000110.6G178 C182 G183 Y184 F186 H196 C198G178-C180 PolarHBondContact O-N 3.17Å; C180-C182 VanDerWaalsContact CB-SG 3.56Å; C180-C182 PolarHBondContact O-N 3.21Å; C180-C182 VanDerWaalsContact O-N 3.1Å; C180-C182 PolarHBondContact SG-SG 3.2Å; C180-G183 PolarHBondContact O-N 3.25Å; C180-Y184 PolarHBondContact N-O 3.34Å; C180-F186 HydrophobicContact CB-CD2 3.93Å; C180-F186 HydrophobicContact CB-CE2 3.66Å; C180-H196 VanDerWaalsContact SG-CE1 3.59Å; C180-H196 PolarHBondContact SG-NE2 3.19Å; C180-C198 VanDerWaalsContact SG-SG 3.69Å
181R92.1Very high95.3Very high149 Ų14970.1 Ų70.156%0.56236%0.355SS*.THydrogen-bonded Turntrans-64.7-12.5177.5-57.3-172.2175.8-164.7-1113.8F200 R205 E209R181-F200 HydrophobicContact CB-CD1 3.98Å; R181-F200 HydrophobicContact CB-CG 4.27Å; R181-R205 VanDerWaalsContact CB-NH2 3.3Å; R181-E209 IonicContact NH1-OE2 3.24Å
182C92.9Very high95.2Very high31 Ų3167.3 Ų67.321%0.20934%0.344CS..THydrogen-bonded Turntrans-76-6.9170.267.60000113.7C180 Y184 F200C180-C182 VanDerWaalsContact CB-SG 3.56Å; C180-C182 PolarHBondContact O-N 3.21Å; C180-C182 VanDerWaalsContact O-N 3.1Å; C180-C182 PolarHBondContact SG-SG 3.2Å; C182-Y184 HydrophobicContact CB-CD2 4.47Å; C182-F200 HydrophobicContact CB-CB 3.8Å
183G92.1Very high95.2Very high34 Ų3463.2 Ų63.235%0.35133%0.325SS..SBendtrans93.75.8175.900000115.9C180C180-G183 PolarHBondContact O-N 3.25Å
184Y95.4Very high95.1Very high51 Ų5167 Ų6720%0.234%0.337CS..  trans-107.7161.1175.7-61.9-73.4000111.5Q157 Y164 C180 C182 F186Q157-Y184 HydrophobicContact CB-CD1 3.87Å; Q157-Y184 HydrophobicContact CB-CE1 4.39Å; Q157-Y184 HydrophobicContact CG-CD1 4.43Å; Y164-Y184 AromaticContact CD1-CD1 3.81Å; Y164-Y184 HydrophobicContact CD1-CD1 3.81Å; Y164-Y184 HydrophobicContact CD1-CD2 4.29Å; Y164-Y184 HydrophobicContact CD1-CE1 4.27Å; Y164-Y184 AromaticContact CD1-CG 3.85Å; Y164-Y184 HydrophobicContact CD1-CG 3.85Å; Y164-Y184 AromaticContact CD2-CD1 3.42Å; Y164-Y184 HydrophobicContact CD2-CD1 3.42Å; Y164-Y184 VanDerWaalsContact CD2-CD1 3.42Å; Y164-Y184 AromaticContact CD2-CE1 3.75Å; Y164-Y184 HydrophobicContact CD2-CE1 3.75Å; Y164-Y184 HydrophobicContact CD2-CG 4.25Å; Y164-Y184 AromaticContact CE1-CD1 3.97Å; Y164-Y184 HydrophobicContact CE1-CD1 3.97Å; Y164-Y184 HydrophobicContact CE1-CD2 4.29Å; Y164-Y184 AromaticContact CE1-CE1 3.95Å; Y164-Y184 HydrophobicContact CE1-CE1 3.95Å; Y164-Y184 HydrophobicContact CE1-CE2 4.27Å; Y164-Y184 HydrophobicContact CE1-CG 4.18Å; Y164-Y184 AromaticContact CE2-CD1 3.6Å; Y164-Y184 HydrophobicContact CE2-CD1 3.6Å; Y164-Y184 AromaticContact CE2-CE1 3.38Å; Y164-Y184 HydrophobicContact CE2-CE1 3.38Å; Y164-Y184 AromaticContact CG-CD1 3.53Å; Y164-Y184 HydrophobicContact CG-CD1 3.53Å; Y164-Y184 HydrophobicContact CG-CE1 4.18Å; Y164-Y184 AromaticContact CG-CG 3.89Å; Y164-Y184 HydrophobicContact CG-CG 3.89Å; Y164-Y184 AromaticContact CZ-CD1 3.87Å; Y164-Y184 AromaticContact CZ-CE1 3.49Å; Y164-Y184 VanDerWaalsContact CZ-CE1 3.49Å; Y164-Y184 AromaticContact CZ-CZ 3.82Å; C180-Y184 PolarHBondContact N-O 3.34Å; C182-Y184 HydrophobicContact CB-CD2 4.47Å; Y184-F186 VanDerWaalsContact CB-CZ 3.46Å; Y184-F186 HydrophobicContact CG-CZ 4.38Å
185V96.3Very high95.1Very high2 Ų268.1 Ų68.11%0.01234%0.342CS..BIsolated β-bridgetrans-117.6137.2179.3-171.50000110.8R160 C163 Y164 L170 Q175 G178R160-V185 HydrophobicContact CB-CG2 4Å; R160-V185 HydrophobicContact CG-CG2 4.04Å; C163-V185 CarbonylContact C-O 3.52Å; C163-V185 WeakPolarHBondContact CA-O 3.48Å; Y164-V185 PolarHBondContact N-O 3.26Å; L170-V185 HydrophobicContact CD1-CB 4.33Å; L170-V185 HydrophobicContact CD1-CG1 3.49Å; L170-V185 VanDerWaalsContact CD1-CG1 3.49Å; Q175-V185 HydrophobicContact CB-CG1 4.34Å; Q175-V185 WeakPolarHBondContact O-CG1 3.27Å; G178-V185 CarbonylContact O-C 3.59Å; G178-V185 WeakPolarHBondContact O-CA 3.48Å
186F97.3Very high95Very high1 Ų167.3 Ų67.30%0.00434%0.338CS..  trans-128.4160.5-172.2-58.2-78.5000113.4Y164 R165 G178 C180 Y184 H190 H196Y164-F186 HydrophobicContact CD1-CE1 4.09Å; Y164-F186 HydrophobicContact CD1-CZ 4.29Å; Y164-F186 HydrophobicContact CG-CE1 4.38Å; R165-F186 HydrophobicContact CB-CD1 4.31Å; R165-F186 HydrophobicContact CB-CE1 4.37Å; G178-F186 WeakPolarHBondContact CA-O 3.44Å; G178-F186 PolarHBondContact O-N 3.09Å; C180-F186 HydrophobicContact CB-CD2 3.93Å; C180-F186 HydrophobicContact CB-CE2 3.66Å; Y184-F186 VanDerWaalsContact CB-CZ 3.46Å; Y184-F186 HydrophobicContact CG-CZ 4.38Å; F186-H190 HydrophobicContact CB-CB 3.94Å; F186-H190 VanDerWaalsContact CB-O 3.23Å; F186-H190 WeakPolarHBondContact CB-O 3.29Å; F186-H190 HydrophobicContact CD1-CB 3.99Å; F186-H190 HydrophobicContact CG-CB 4.3Å; F186-H190 VanDerWaalsContact CG-O 3.27Å; F186-H190 WeakPolarHBondContact CG-O 3.35Å; F186-H196 HydrophobicContact CD1-CB 3.87Å; F186-H196 HydrophobicContact CE1-CB 3.36Å; F186-H196 AromaticContact CE1-CD2 3.92Å; F186-H196 AromaticContact CE1-CG 3.63Å; F186-H196 HydrophobicContact CE2-CB 4.33Å; F186-H196 AromaticContact CE2-CD2 3.43Å; F186-H196 VanDerWaalsContact CE2-CD2 3.43Å; F186-H196 WeakPolarHBondContact CE2-CD2 3.06Å; F186-H196 AromaticContact CE2-CE1 3.71Å; F186-H196 AromaticContact CE2-CG 3.65Å; F186-H196 AromaticContact CE2-ND1 3.83Å; F186-H196 AromaticContact CE2-NE2 3.46Å; F186-H196 WeakPolarHBondContact CE2-NE2 3.43Å; F186-H196 HydrophobicContact CZ-CB 3.64Å; F186-H196 AromaticContact CZ-CD2 3.18Å; F186-H196 WeakPolarHBondContact CZ-CD2 3.34Å; F186-H196 AromaticContact CZ-CG 3.36Å; F186-H196 AromaticContact CZ-NE2 3.76Å
187C97.1Very high94.9Very high12 Ų1266.6 Ų66.68%0.08134%0.338CS..  trans-78.8174.5167.864.70000110.4C163 C166 L170 L189 H190 R191C163-C187 HydrophobicContact CB-CB 4.2Å; C163-C187 PolarHBondContact SG-N 3.02Å; C166-C187 VanDerWaalsContact SG-SG 3.66Å; L170-C187 HydrophobicContact CD2-CB 3.63Å; C187-L189 PolarHBondContact O-N 3.33Å; C187-L189 VanDerWaalsContact O-N 3.11Å; C187-H190 CarbonylContact O-C 3.57Å; C187-H190 PolarHBondContact O-N 3.41Å; C187-H190 PolarHBondContact SG-ND1 2.92Å; C187-R191 PolarHBondContact O-N 3.26Å; C187-R191 VanDerWaalsContact O-N 3.12Å
188M95.4Very high94.8Very high117 Ų11762.2 Ų62.258%0.57632%0.317SS*.THydrogen-bonded Turntrans-60-25.9-178.9-61-153.7-58.900114
189L96.7Very high94.6Very high130 Ų13070.1 Ų70.168%0.68136%0.357SS*.THydrogen-bonded Turntrans-81.4-14.4177.8-58.7178.9000113.7C187 Q195C187-L189 PolarHBondContact O-N 3.33Å; C187-L189 VanDerWaalsContact O-N 3.11Å; L189-Q195 VanDerWaalsContact C-OE1 3.32Å; L189-Q195 PolarHBondContact O-NE2 3.5Å; L189-Q195 VanDerWaalsContact O-NE2 3.14Å; L189-Q195 PolarHBondContact O-OE1 2.87Å
190H96.8Very high94.5Very high42 Ų4269.4 Ų69.419%0.19435%0.347CS..SBendtrans-122.513.7-178.2-60.9120.3000112.9R165 C166 F186 C187 Q195 H196R165-H190 HydrophobicContact CB-CB 4.27Å; C166-H190 PolarHBondContact SG-ND1 3.15Å; F186-H190 HydrophobicContact CB-CB 3.94Å; F186-H190 VanDerWaalsContact CB-O 3.23Å; F186-H190 WeakPolarHBondContact CB-O 3.29Å; F186-H190 HydrophobicContact CD1-CB 3.99Å; F186-H190 HydrophobicContact CG-CB 4.3Å; F186-H190 VanDerWaalsContact CG-O 3.27Å; F186-H190 WeakPolarHBondContact CG-O 3.35Å; C187-H190 CarbonylContact O-C 3.57Å; C187-H190 PolarHBondContact O-N 3.41Å; C187-H190 PolarHBondContact SG-ND1 2.92Å; H190-Q195 HydrophobicContact CB-CB 4.49Å; H190-Q195 PolarHBondContact CD2-O 2.97Å; H190-H196 PolarHBondContact O-ND1 2.96Å; H190-H196 VanDerWaalsContact O-ND1 3.09Å
191R96.3Very high94.4Very high139 Ų13972.9 Ų72.953%0.52536%0.364SS..  trans-73.1-29.4-174.980.7178.6-172.4-165.2-0.5113C187C187-R191 PolarHBondContact O-N 3.26Å; C187-R191 VanDerWaalsContact O-N 3.12Å
192L94.9Very high94.4Very high80 Ų8069.4 Ų69.442%0.41935%0.354SS..SBendtrans-78.1147-176.7-65.5162.4000109.9E194 Q195 H196L192-E194 PolarHBondContact O-N 2.9Å; L192-Q195 HydrophobicContact CB-CG 3.99Å; L192-Q195 WeakPolarHBondContact O-CB 3.34Å; L192-Q195 PolarHBondContact O-N 3.33Å; L192-H196 PolarHBondContact O-CE1 2.9Å; L192-H196 PolarHBondContact O-ND1 3.5Å
193P94.3Very high94.4Very high49 Ų4974.7 Ų74.732%0.31838%0.379SS..G310 helixtrans-53.5-37.7-178.5-28.836.6000114.3Q195 H196 D197 C198P193-Q195 VanDerWaalsContact C-N 3.26Å; P193-Q195 PolarHBondContact O-N 3.38Å; P193-H196 PolarHBondContact O-N 3.06Å; P193-D197 PolarHBondContact O-N 2.96Å; P193-C198 HydrophobicContact CB-CB 3.69Å; P193-C198 PolarHBondContact O-N 3.37Å; P193-C198 VanDerWaalsContact O-N 3.07Å
194E93.5Very high94.5Very high177 Ų17774 Ų7483%0.82737%0.373SS*.G310 helixtrans-67.9-23.8179.2-62.1172.6179.500113L192L192-E194 PolarHBondContact O-N 2.9Å
195Q95.8Very high94.4Very high69 Ų6975.4 Ų75.432%0.32238%0.378SS..G310 helixtrans-88.8-5.9-175.6-59.8170.4-36.200112.9L189 H190 L192 P193L189-Q195 VanDerWaalsContact C-OE1 3.32Å; L189-Q195 PolarHBondContact O-NE2 3.5Å; L189-Q195 VanDerWaalsContact O-NE2 3.14Å; L189-Q195 PolarHBondContact O-OE1 2.87Å; H190-Q195 HydrophobicContact CB-CB 4.49Å; H190-Q195 PolarHBondContact CD2-O 2.97Å; L192-Q195 HydrophobicContact CB-CG 3.99Å; L192-Q195 WeakPolarHBondContact O-CB 3.34Å; L192-Q195 PolarHBondContact O-N 3.33Å; P193-Q195 VanDerWaalsContact C-N 3.26Å; P193-Q195 PolarHBondContact O-N 3.38Å
196H93.1Very high94.3Very high8 Ų877.1 Ų77.14%0.03740%0.396CS..THydrogen-bonded Turntrans-140.719.8-178.568.7-94.3000114.1R165 C180 F186 H190 L192 P193 C198R165-H196 PolarHBondContact NH2-O 3.14Å; C180-H196 VanDerWaalsContact SG-CE1 3.59Å; C180-H196 PolarHBondContact SG-NE2 3.19Å; F186-H196 HydrophobicContact CD1-CB 3.87Å; F186-H196 HydrophobicContact CE1-CB 3.36Å; F186-H196 AromaticContact CE1-CD2 3.92Å; F186-H196 AromaticContact CE1-CG 3.63Å; F186-H196 HydrophobicContact CE2-CB 4.33Å; F186-H196 AromaticContact CE2-CD2 3.43Å; F186-H196 VanDerWaalsContact CE2-CD2 3.43Å; F186-H196 WeakPolarHBondContact CE2-CD2 3.06Å; F186-H196 AromaticContact CE2-CE1 3.71Å; F186-H196 AromaticContact CE2-CG 3.65Å; F186-H196 AromaticContact CE2-ND1 3.83Å; F186-H196 AromaticContact CE2-NE2 3.46Å; F186-H196 WeakPolarHBondContact CE2-NE2 3.43Å; F186-H196 HydrophobicContact CZ-CB 3.64Å; F186-H196 AromaticContact CZ-CD2 3.18Å; F186-H196 WeakPolarHBondContact CZ-CD2 3.34Å; F186-H196 AromaticContact CZ-CG 3.36Å; F186-H196 AromaticContact CZ-NE2 3.76Å; H190-H196 PolarHBondContact O-ND1 2.96Å; H190-H196 VanDerWaalsContact O-ND1 3.09Å; L192-H196 PolarHBondContact O-CE1 2.9Å; L192-H196 PolarHBondContact O-ND1 3.5Å; P193-H196 PolarHBondContact O-N 3.06Å; H196-C198 VanDerWaalsContact C-N 3.31Å; H196-C198 VanDerWaalsContact NE2-CB 3.32Å; H196-C198 WeakPolarHBondContact NE2-CB 3.25Å; H196-C198 PolarHBondContact NE2-SG 2.88Å; H196-C198 PolarHBondContact O-N 3.27Å
197D91.3Very high94.2Very high106 Ų10685.6 Ų85.657%0.56743%0.428SS*.THydrogen-bonded Turntrans47.355.9-179.2-49.8-51.9000110.8R165 P193 L199R165-D197 IonicContact CZ-OD2 2.75Å; R165-D197 VanDerWaalsContact CZ-OD2 3.24Å; R165-D197 IonicContact NH1-OD2 3.98Å; R165-D197 PolarHBondContact NH1-OD2 3.2Å; R165-D197 IonicContact NH2-OD2 2.85Å; R165-D197 PolarHBondContact NH2-OD2 2.89Å; P193-D197 PolarHBondContact O-N 2.96Å; D197-L199 PolarHBondContact O-N 3.45Å; D197-L199 VanDerWaalsContact O-N 3.08Å
198C93.8Very high94.2Very high25 Ų2590.7 Ų90.717%0.16945%0.45CS..  trans-58.9117-175-168.50000110.9C180 P193 H196 F200 H202C180-C198 VanDerWaalsContact SG-SG 3.69Å; P193-C198 HydrophobicContact CB-CB 3.69Å; P193-C198 PolarHBondContact O-N 3.37Å; P193-C198 VanDerWaalsContact O-N 3.07Å; H196-C198 VanDerWaalsContact C-N 3.31Å; H196-C198 VanDerWaalsContact NE2-CB 3.32Å; H196-C198 WeakPolarHBondContact NE2-CB 3.25Å; H196-C198 PolarHBondContact NE2-SG 2.88Å; H196-C198 PolarHBondContact O-N 3.27Å; C198-F200 PolarHBondContact O-N 3.27Å; C198-F200 VanDerWaalsContact SG-CB 3.57Å; C198-H202 PolarHBondContact SG-NE2 2.94Å
199L90.9Very high94.1Very high170 Ų17088.7 Ų88.789%0.8944%0.44SS*.  trans-78.91.3176.5-58.9178.7000113.1D197D197-L199 PolarHBondContact O-N 3.45Å; D197-L199 VanDerWaalsContact O-N 3.08Å
200F93.3Very high94Very high44 Ų4484.9 Ų84.919%0.19343%0.427CS..SBendtrans-86.1128.1-178.4-179.4-96.1000110.9R181 C182 C198 H202 R205R181-F200 HydrophobicContact CB-CD1 3.98Å; R181-F200 HydrophobicContact CB-CG 4.27Å; C182-F200 HydrophobicContact CB-CB 3.8Å; C198-F200 PolarHBondContact O-N 3.27Å; C198-F200 VanDerWaalsContact SG-CB 3.57Å; F200-H202 AromaticContact CD1-CD2 3.99Å; F200-H202 AromaticContact CD1-CE1 3.86Å; F200-H202 AromaticContact CD1-ND1 3.94Å; F200-H202 AromaticContact CD1-NE2 3.88Å; F200-H202 PolarHBondContact O-CD2 3.36Å; F200-H202 PolarHBondContact O-N 3.44Å; F200-R205 HydrophobicContact CE1-CB 4.07Å; F200-R205 HydrophobicContact CE1-CG 4.32Å; F200-R205 VanDerWaalsContact CG-NH2 3.29Å; F200-R205 HydrophobicContact CZ-CB 3.82Å; F200-R205 HydrophobicContact CZ-CG 3.69Å
201D94Very high93.9Very high95 Ų9586.9 Ų86.951%0.50844%0.442SS..  trans-74.487.7179.2-177.89.9000112.4L203 G204 R205D201-L203 VanDerWaalsContact C-N 3.27Å; D201-L203 PolarHBondContact O-N 3.34Å; D201-L203 PolarHBondContact OD1-N 3.4Å; D201-G204 VanDerWaalsContact CG-N 3.34Å; D201-G204 PolarHBondContact OD1-N 2.67Å; D201-G204 WeakPolarHBondContact OD2-CA 3.32Å; D201-G204 PolarHBondContact OD2-N 3.34Å; D201-R205 PolarHBondContact O-N 3.08Å
202H90.8Very high93.7Very high76 Ų7686.8 Ų86.835%0.35245%0.451SS..Hα-helixtrans-63.7-31.2176.6-69.3-86.4000113.2C198 F200 G206C198-H202 PolarHBondContact SG-NE2 2.94Å; F200-H202 AromaticContact CD1-CD2 3.99Å; F200-H202 AromaticContact CD1-CE1 3.86Å; F200-H202 AromaticContact CD1-ND1 3.94Å; F200-H202 AromaticContact CD1-NE2 3.88Å; F200-H202 PolarHBondContact O-CD2 3.36Å; F200-H202 PolarHBondContact O-N 3.44Å; H202-G206 PolarHBondContact O-N 2.83Å
203L92.6Very high93.6Very high141 Ų14190 Ų9074%0.73846%0.461SS*.Hα-helixtrans-79.3-45.7-173.5-138.771000110.9D201 G206 R207D201-L203 VanDerWaalsContact C-N 3.27Å; D201-L203 PolarHBondContact O-N 3.34Å; D201-L203 PolarHBondContact OD1-N 3.4Å; L203-G206 PolarHBondContact O-N 3.28Å; L203-R207 WeakPolarHBondContact O-CB 3.18Å; L203-R207 PolarHBondContact O-N 2.88Å
204G95.2Very high93.4Very high21 Ų2193.6 Ų93.622%0.21648%0.476CS..Hα-helixtrans-59.6-49.5173.800000111.7D201 G206 R207 E208D201-G204 VanDerWaalsContact CG-N 3.34Å; D201-G204 PolarHBondContact OD1-N 2.67Å; D201-G204 WeakPolarHBondContact OD2-CA 3.32Å; D201-G204 PolarHBondContact OD2-N 3.34Å; G204-G206 VanDerWaalsContact C-N 3.35Å; G204-G206 PolarHBondContact O-N 2.92Å; G204-R207 PolarHBondContact O-N 3.16Å; G204-E208 WeakPolarHBondContact O-CB 3.35Å; G204-E208 PolarHBondContact O-N 3.31Å
205R93.4Very high93.2Very high80 Ų8091.2 Ų91.230%0.30247%0.473SS..Hα-helixtrans-62.8-39.6176.6-109.8-150.9-71.4-112.34.3112.8R181 F200 D201 R207 E208 E209R181-R205 VanDerWaalsContact CB-NH2 3.3Å; F200-R205 HydrophobicContact CE1-CB 4.07Å; F200-R205 HydrophobicContact CE1-CG 4.32Å; F200-R205 VanDerWaalsContact CG-NH2 3.29Å; F200-R205 HydrophobicContact CZ-CB 3.82Å; F200-R205 HydrophobicContact CZ-CG 3.69Å; D201-R205 PolarHBondContact O-N 3.08Å; R205-R207 VanDerWaalsContact C-N 3.33Å; R205-E208 PolarHBondContact O-N 3.07Å; R205-E209 VanDerWaalsContact O-CB 3.25Å; R205-E209 WeakPolarHBondContact O-CB 3.2Å; R205-E209 PolarHBondContact O-N 3.28Å
206G94.5Very high92.7Very high38 Ų3897.2 Ų97.239%0.39250%0.498SS..Hα-helixtrans-62.7-40.917700000112.2H202 L203 G204 A210H202-G206 PolarHBondContact O-N 2.83Å; L203-G206 PolarHBondContact O-N 3.28Å; G204-G206 VanDerWaalsContact C-N 3.35Å; G204-G206 PolarHBondContact O-N 2.92Å; G206-A210 VanDerWaalsContact O-CB 3.29Å; G206-A210 WeakPolarHBondContact O-CB 3.43Å; G206-A210 PolarHBondContact O-N 3.15Å
207R95.6Very high92Very high179 Ų179103.9 Ų103.968%0.67553%0.533SS*.Hα-helixtrans-64.3-48.7174.5-179-174.9-68.2156.1-1.3111.5L203 G204 R205 A210 V211L203-R207 WeakPolarHBondContact O-CB 3.18Å; L203-R207 PolarHBondContact O-N 2.88Å; G204-R207 PolarHBondContact O-N 3.16Å; R205-R207 VanDerWaalsContact C-N 3.33Å; R207-A210 PolarHBondContact O-N 3.37Å; R207-V211 HydrophobicContact CG-CG2 4.44Å; R207-V211 VanDerWaalsContact O-CG2 3.29Å; R207-V211 WeakPolarHBondContact O-CG2 3.47Å; R207-V211 PolarHBondContact O-N 2.95Å
208E95.3Very high91.4Very high118 Ų118105.5 Ų105.555%0.55154%0.541SS*.Hα-helixtrans-59.9-48179.3-178.6177.2-156.100111.4G204 R205 A210 V211 L212G204-E208 WeakPolarHBondContact O-CB 3.35Å; G204-E208 PolarHBondContact O-N 3.31Å; R205-E208 PolarHBondContact O-N 3.07Å; E208-A210 VanDerWaalsContact C-N 3.3Å; E208-A210 PolarHBondContact O-N 2.96Å; E208-V211 PolarHBondContact O-N 3.07Å; E208-L212 HydrophobicContact CG-CD1 4.15Å; E208-L212 WeakPolarHBondContact O-CG 3.49Å; E208-L212 PolarHBondContact O-N 3.28Å
209E94.8Very high90.5Very high76 Ų76114.3 Ų114.336%0.35557%0.571SS.*Hα-helixtrans-61-39.5177.3-172.4177.3166.500111.6R181 R205 K213R181-E209 IonicContact NH1-OE2 3.24Å; R205-E209 VanDerWaalsContact O-CB 3.25Å; R205-E209 WeakPolarHBondContact O-CB 3.2Å; R205-E209 PolarHBondContact O-N 3.28Å; E209-K213 HydrophobicContact CG-CD 4.29Å; E209-K213 WeakPolarHBondContact O-CB 3.5Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.37Å; E209-K213 PolarHBondContact O-N 3.08Å; E209-K213 VanDerWaalsContact O-N 3.08Å; E209-K213 WeakPolarHBondContact OE1-CE 3.42Å; E209-K213 IonicContact OE1-NZ 2.6Å; E209-K213 PolarHBondContact OE1-NZ 3.37Å
210A93.9Very high89.7Confident49 Ų49115.3 Ų115.341%0.40557%0.568SS.*Hα-helixtrans-64.8-46.2174.700000111.8G206 R207 E208 L212 K213 M214G206-A210 VanDerWaalsContact O-CB 3.29Å; G206-A210 WeakPolarHBondContact O-CB 3.43Å; G206-A210 PolarHBondContact O-N 3.15Å; R207-A210 PolarHBondContact O-N 3.37Å; E208-A210 VanDerWaalsContact C-N 3.3Å; E208-A210 PolarHBondContact O-N 2.96Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.88Å; A210-K213 CarbonylContact O-C 3.57Å; A210-K213 PolarHBondContact O-N 3.16Å; A210-M214 WeakPolarHBondContact O-CG 3.28Å; A210-M214 PolarHBondContact O-N 2.98Å
211V93.8Very high88.4Confident85 Ų85118 Ų11852%0.51559%0.588SS.*Hα-helixtrans-61.1-42.6177.9168.90000111.3R207 E208 K213 M214R207-V211 HydrophobicContact CG-CG2 4.44Å; R207-V211 VanDerWaalsContact O-CG2 3.29Å; R207-V211 WeakPolarHBondContact O-CG2 3.47Å; R207-V211 PolarHBondContact O-N 2.95Å; E208-V211 PolarHBondContact O-N 3.07Å; V211-K213 VanDerWaalsContact C-N 3.3Å; V211-K213 PolarHBondContact O-N 2.82Å; V211-M214 WeakPolarHBondContact O-CB 3.17Å; V211-M214 PolarHBondContact O-N 2.79Å
212L92.3Very high87Confident137 Ų137115.7 Ų115.772%0.71759%0.586SS**Hα-helixtrans-64.9-34.9177.3-71.3173.5000112.3E208 A210E208-L212 HydrophobicContact CG-CD1 4.15Å; E208-L212 WeakPolarHBondContact O-CG 3.49Å; E208-L212 PolarHBondContact O-N 3.28Å; A210-L212 VanDerWaalsContact C-N 3.34Å; A210-L212 PolarHBondContact O-N 2.88Å
213K93.9Very high85.5Confident147 Ų147124.1 Ų124.164%0.63962%0.615SS**Hα-helixtrans-84.4-8.1177.6-69.4178.2-171.5174.40113.9E209 A210 V211 V215E209-K213 HydrophobicContact CG-CD 4.29Å; E209-K213 WeakPolarHBondContact O-CB 3.5Å; E209-K213 VanDerWaalsContact O-CG 3.32Å; E209-K213 WeakPolarHBondContact O-CG 3.37Å; E209-K213 PolarHBondContact O-N 3.08Å; E209-K213 VanDerWaalsContact O-N 3.08Å; E209-K213 WeakPolarHBondContact OE1-CE 3.42Å; E209-K213 IonicContact OE1-NZ 2.6Å; E209-K213 PolarHBondContact OE1-NZ 3.37Å; A210-K213 CarbonylContact O-C 3.57Å; A210-K213 PolarHBondContact O-N 3.16Å; V211-K213 VanDerWaalsContact C-N 3.3Å; V211-K213 PolarHBondContact O-N 2.82Å; K213-V215 PolarHBondContact O-N 2.77Å
214M90Very high84.2Confident125 Ų125122.3 Ų122.362%0.61662%0.615SS**SBendtrans-63.7126.4175-79.8177.4-173.800109.6A210 V211 K216A210-M214 WeakPolarHBondContact O-CG 3.28Å; A210-M214 PolarHBondContact O-N 2.98Å; V211-M214 WeakPolarHBondContact O-CB 3.17Å; V211-M214 PolarHBondContact O-N 2.79Å; M214-K216 PolarHBondContact O-N 2.99Å
215V89.7Confident82.4Confident126 Ų126127.1 Ų127.176%0.76464%0.644SS**  trans-63.3106.1171179.20000107.5K213 L217K213-V215 PolarHBondContact O-N 2.77Å; V215-L217 HydrophobicContact CG1-CD2 4.32Å; V215-L217 PolarHBondContact O-N 2.9Å
216K84.7Confident80.9Confident196 Ų196131.6 Ų131.685%0.85267%0.668SS**  trans-66.6100.1170.4-81.7176.7178.4171.40107.8M214 D218M214-K216 PolarHBondContact O-N 2.99Å; K216-D218 PolarHBondContact O-N 2.82Å; K216-D218 VanDerWaalsContact O-N 3.07Å
217L79.1Confident79.1Confident148 Ų148140.4 Ų140.478%0.77569%0.689SS**  trans-68.4105.1163.5-67.4-177.8000107V215 R219V215-L217 HydrophobicContact CG1-CD2 4.32Å; V215-L217 PolarHBondContact O-N 2.9Å; L217-R219 PolarHBondContact O-N 3.47Å
218D78.8Confident77.5Confident139 Ų139140.4 Ų140.474%0.74370%0.701SS**  trans-63.2106171.4-164.6-2.7000107.6K216 K220K216-D218 PolarHBondContact O-N 2.82Å; K216-D218 VanDerWaalsContact O-N 3.07Å; D218-K220 PolarHBondContact O-N 3.09Å
219R75.1Confident75.9Confident211 Ų211138 Ų13880%0.79671%0.707SS**  trans-70.588.4178.5-76.2176.167.2-178.81.1107.1L217 V221L217-R219 PolarHBondContact O-N 3.47Å; R219-V221 HydrophobicContact CB-CG2 4.39Å; R219-V221 PolarHBondContact O-N 3.14Å
220K73.9Confident74.5Confident191 Ų191142.9 Ų142.983%0.8373%0.73SS**  trans-65.980159.8-79.4170.7178.1175.10108.1D218 G222D218-K220 PolarHBondContact O-N 3.09Å; K220-G222 VanDerWaalsContact C-N 3.29Å; K220-G222 PolarHBondContact O-N 3.22Å
221V65.8Low72.9Confident100 Ų100149.9 Ų149.961%0.60676%0.755SS**  trans-67.298.1161.8-1800000105.1R219R219-V221 HydrophobicContact CB-CG2 4.39Å; R219-V221 PolarHBondContact O-N 3.14Å
222G63Low70.9Confident46 Ų46152.2 Ų152.247%0.47477%0.773SS.*  trans-54.4141.8167.500000108.9K220 S224K220-G222 VanDerWaalsContact C-N 3.29Å; K220-G222 PolarHBondContact O-N 3.22Å; G222-S224 PolarHBondContact O-N 2.9Å
223R60.4Low69.5Low253 Ų253155 Ų15596%0.95580%0.804SS**SBendtrans-62.414.8-176.9-65.6-176.1-170.9-167.52.4115
224S64.7Low68.3Low104 Ų104155.4 Ų155.473%0.72781%0.812SS**  trans-11055.7-169.965.10000112.5G222G222-S224 PolarHBondContact O-N 2.9Å
225C57Low67.2Low122 Ų122157 Ų15782%0.82482%0.823SS**  trans-106.752.3155.5-63.20000108.9R227C225-R227 PolarHBondContact O-N 2.84Å
226Q62Low65.9Low173 Ų173158.7 Ų158.781%0.80883%0.826SS**  trans-79.3115.8164-93.4161.20.200107.7I228Q226-I228 PolarHBondContact O-N 3.02Å; Q226-I228 VanDerWaalsContact O-N 3.09Å
227R58.2Low64.8Low223 Ų223156.5 Ų156.584%0.84282%0.824SS**  trans-61.9105.2175.1-177.8-175.5-67.3166.5-2.1107.9C225 G229C225-R227 PolarHBondContact O-N 2.84Å; R227-G229 PolarHBondContact O-N 3.32Å; R227-G229 VanDerWaalsContact O-N 3.14Å
228I62.2Low63.9Low179 Ų179157.1 Ų157.192%0.91883%0.828SS**SBendtrans-72.5101.2167.4-55.5165.8000105.6Q226Q226-I228 PolarHBondContact O-N 3.02Å; Q226-I228 VanDerWaalsContact O-N 3.09Å
229G60.6Low62.9Low67 Ų67158.3 Ų158.369%0.69183%0.833SS**  trans172.923.5178.500000116.5R227R227-G229 PolarHBondContact O-N 3.32Å; R227-G229 VanDerWaalsContact O-N 3.14Å
230E64.9Low62Low180 Ų180154.5 Ų154.584%0.84184%0.836SS**  trans-143.855.3178.1-146.6176.2160.800110.9
231E60.3Low61.1Low196 Ų196151.7 Ų151.792%0.91684%0.836SS**  trans-153.192.3153.2-147.7179.7101.200109.3
232C51.9Low60.7Low134 Ų134156 Ų15691%0.90586%0.855SS**  trans-14493.8156.5-158.30000104.9
233S63.6Low60.5Low195 Ų195166 Ų166100%1.36489%0.89SS**  trans-138.90169.8-71.60000108.3

Retrieved 233 of 233 residues in 453.8 ms (Link to these results)