A0A096NEH4_PAPAN Loading...

SERTA domain containing 2

AlphaFold DB , UniProt , Accession A0A096NEH4, Species PAPAN (Papio anubis, Olive baboon), Gene SERTAD2, Length 314 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
1M53.1Low60.9Low247 Ų247165.2 Ų165.2100%1.21787%0.868SS**  0138.30-72.1145.464.200108
2L52.3Low59.8Low174 Ų174165.1 Ų165.191%0.91186%0.859SS**  trans-93.3108.7-176-171.466.7000110.4K4L2-K4 PolarHBondContact O-N 3.01Å
3G62.2Low58.7Low72 Ų72163.4 Ų163.474%0.74284%0.844SS**  trans-68.8124179.600000112G5G3-G5 PolarHBondContact O-N 3.22Å
4K64.6Low57.9Low209 Ų209164.7 Ų164.791%0.90985%0.845SS**  trans-80.8105.4176.2-71.2-176177.4-179.60110.4L2 G6L2-K4 PolarHBondContact O-N 3.01Å; K4-G6 PolarHBondContact O-N 2.97Å
5G64.1Low56.9Low75 Ų75161.9 Ų161.977%0.77383%0.832SS**  trans-68.2111.1170.500000111.7G3 K7G3-G5 PolarHBondContact O-N 3.22Å; G5-K7 PolarHBondContact O-N 3.34Å
6G65.9Low56.5Low78 Ų78156.2 Ų156.280%0.80483%0.825SS**  trans-76.8100.2178.500000112.5K4 R8K4-G6 PolarHBondContact O-N 2.97Å; G6-R8 PolarHBondContact O-N 3.45Å
7K71.8Confident56Low207 Ų207156.2 Ų156.290%0.983%0.825SS**  trans-75.8107171.3-69.6-167176.6-171.70110.2G5G5-K7 PolarHBondContact O-N 3.34Å
8R73.6Confident55.3Low246 Ų246158.3 Ų158.393%0.92883%0.83SS**PPolyproline II helixtrans-65.7131.3164.8-69-174.1-72.3163-2.3108.9G6G6-R8 PolarHBondContact O-N 3.45Å
9K62.4Low55Low197 Ų197154.2 Ų154.286%0.85783%0.829SS**PPolyproline II helixtrans-79.4141166.6-74.8-75.9-164.8159.30108.5
10F45.6Very low54.1Low171 Ų171156.4 Ų156.475%0.7583%0.83SS**PPolyproline II helixtrans-75.3133.6157.3-174.6-109000106.6E12F10-E12 HydrophobicContact CD1-CB 4.06Å; F10-E12 HydrophobicContact CD1-CG 4.5Å; F10-E12 HydrophobicContact CE1-CB 4.02Å; F10-E12 HydrophobicContact CE1-CG 4.02Å; F10-E12 WeakPolarHBondContact CE1-OE2 3.45Å
11D53.9Low53.9Low141 Ų141157 Ų15775%0.75483%0.832SS**  trans-106.5117.6179.9-162.765000107.6
12E48.3Very low53.5Low164 Ų164151.4 Ų151.477%0.76681%0.812SS**  trans-12274.9-167.6-164.7172.5148.100108.4F10F10-E12 HydrophobicContact CD1-CB 4.06Å; F10-E12 HydrophobicContact CD1-CG 4.5Å; F10-E12 HydrophobicContact CE1-CB 4.02Å; F10-E12 HydrophobicContact CE1-CG 4.02Å; F10-E12 WeakPolarHBondContact CE1-OE2 3.45Å
13H45.2Very low53.3Low143 Ų143147.1 Ų147.166%0.66280%0.796SS**  trans-96.889.8-178.1-161-60.2000110.8D15H13-D15 IonicContact CE1-OD2 3.41Å; H13-D15 PolarHBondContact O-N 2.97Å
14E47.3Very low52.6Low182 Ų182149.3 Ų149.385%0.8580%0.797SS**  trans-59.4123.6156-90.3-117.899.500109.3
15D43Very low51.7Low123 Ų123145.2 Ų145.266%0.65879%0.794SS**  trans-149.5111.9152.3-144.5-19.4000109.1H13 L17H13-D15 IonicContact CE1-OD2 3.41Å; H13-D15 PolarHBondContact O-N 2.97Å; D15-L17 PolarHBondContact O-N 2.55Å
16G51.5Low51.1Low70 Ų70146.2 Ų146.272%0.72278%0.781SS**  trans-91.198.7-169.200000112.2
17L46.5Very low50.9Low156 Ų156144.7 Ų144.782%0.81777%0.766SS**  trans-122.8138.2175.6-62.6177.1000112.8D15D15-L17 PolarHBondContact O-N 2.55Å
18E43.9Very low49.9Very low195 Ų195140.7 Ų140.791%0.91176%0.761SS**  trans-49.5140-164.8-55.9175.8106.800117.8
19G50Low49.6Very low79 Ų79131.4 Ų131.481%0.81473%0.734SS**  76.756.311600000118.7
20K36.8Very low50.3Low198 Ų198126.1 Ų126.186%0.86171%0.711SS**  trans-140.6132.3148.2-122.4174.6-173.1178.10113.3V22K20-V22 VanDerWaalsContact C-N 3.31Å; K20-V22 PolarHBondContact O-N 2.88Å
21I50Low51.8Low169 Ų169123.2 Ų123.287%0.86771%0.707SS**  trans-74.186179.9-53.9170.4000108.5S23I21-S23 VanDerWaalsContact C-N 3.3Å; I21-S23 PolarHBondContact O-N 3.24Å
22V44Very low53.3Low130 Ų130119.4 Ų119.479%0.78869%0.691SS**  trans-72.893.7161.1179.30000106.5K20K20-V22 VanDerWaalsContact C-N 3.31Å; K20-V22 PolarHBondContact O-N 2.88Å
23S48.9Very low55.4Low84 Ų84116.6 Ų116.659%0.58767%0.674SS**PPolyproline II helixtrans-46.8141.3163178.40000108.8I21 C25I21-S23 VanDerWaalsContact C-N 3.3Å; I21-S23 PolarHBondContact O-N 3.24Å; S23-C25 PolarHBondContact O-N 3.03Å
24P47.9Very low57.6Low118 Ų118111.8 Ų111.877%0.76666%0.655SS**PPolyproline II helixtrans-49.8118.3168.8-23.933.4000108.4D26P24-D26 PolarHBondContact O-N 3.47Å
25C45Very low59.7Low124 Ų124108.5 Ų108.584%0.83864%0.643SS**PPolyproline II helixtrans-68.7116.9179.7-172.90000107S23 G27S23-C25 PolarHBondContact O-N 3.03Å; C25-G27 PolarHBondContact O-N 3.19Å
26D52.4Low62.2Low95 Ų95108 Ų10851%0.50864%0.637SS.*  trans-73.374.9-174.3-163.739.8000110.4P24 S29 K30P24-D26 PolarHBondContact O-N 3.47Å; D26-S29 VanDerWaalsContact OD2-CA 3.23Å; D26-S29 WeakPolarHBondContact OD2-CA 3.23Å; D26-S29 WeakPolarHBondContact OD2-CB 3.18Å; D26-S29 PolarHBondContact OD2-OG 3.16Å; D26-K30 WeakPolarHBondContact OD1-CB 3.15Å; D26-K30 PolarHBondContact OD1-N 3.13Å; D26-K30 PolarHBondContact OD2-N 3.21Å
27G60.7Low64.1Low47 Ų47105.5 Ų105.549%0.48561%0.605SS.*THydrogen-bonded Turntrans-52.9154165.600000110.3C25 S29C25-G27 PolarHBondContact O-N 3.19Å; G27-S29 VanDerWaalsContact O-CA 3.27Å; G27-S29 WeakPolarHBondContact O-CA 3.01Å; G27-S29 PolarHBondContact O-N 3.26Å
28P51Low66.4Low123 Ų123101.5 Ų101.580%0.79958%0.582SS**THydrogen-bonded Turntrans-22.697.3-150.510.8-29.9000113S32P28-S32 PolarHBondContact O-OG 3.21Å
29S68.2Low68.8Low50 Ų5095.3 Ų95.335%0.3556%0.558SS.*  trans-28.2138.8-144-177.80000116.7D26 G27 V31 S32 Y33D26-S29 VanDerWaalsContact OD2-CA 3.23Å; D26-S29 WeakPolarHBondContact OD2-CA 3.23Å; D26-S29 WeakPolarHBondContact OD2-CB 3.18Å; D26-S29 PolarHBondContact OD2-OG 3.16Å; G27-S29 VanDerWaalsContact O-CA 3.27Å; G27-S29 WeakPolarHBondContact O-CA 3.01Å; G27-S29 PolarHBondContact O-N 3.26Å; S29-V31 PolarHBondContact O-N 3.41Å; S29-S32 WeakPolarHBondContact O-CA 3.22Å; S29-S32 WeakPolarHBondContact O-CB 3.26Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact O-OG 2.75Å; S29-Y33 PolarHBondContact O-N 2.92Å
30K75.2Confident71Confident86 Ų8694.7 Ų94.737%0.37454%0.535SS..Hα-helixtrans-39.1-37.9171.8179179.4178.5-176.40113.8D26 S32 Y33 T34D26-K30 WeakPolarHBondContact OD1-CB 3.15Å; D26-K30 PolarHBondContact OD1-N 3.13Å; D26-K30 PolarHBondContact OD2-N 3.21Å; K30-S32 VanDerWaalsContact C-N 3.31Å; K30-S32 PolarHBondContact O-N 2.97Å; K30-Y33 PolarHBondContact O-N 3.33Å; K30-Y33 VanDerWaalsContact O-N 3.13Å; K30-T34 PolarHBondContact O-N 3.13Å; K30-T34 PolarHBondContact O-OG1 3.46Å; K30-T34 VanDerWaalsContact O-OG1 3.1Å
31V78.4Confident73.7Confident110 Ų11086.7 Ų86.767%0.66750%0.501SS*.Hα-helixtrans-58-39.7175.9-177.80000112.6S29 L35S29-V31 PolarHBondContact O-N 3.41Å; V31-L35 WeakPolarHBondContact O-CB 3.47Å; V31-L35 PolarHBondContact O-N 2.74Å
32S85.3Confident75.8Confident61 Ų6182.5 Ų82.543%0.42748%0.48SS..Hα-helixtrans-69.6-35.417683.80000112.2P28 S29 K30 L35 Q36P28-S32 PolarHBondContact O-OG 3.21Å; S29-S32 WeakPolarHBondContact O-CA 3.22Å; S29-S32 WeakPolarHBondContact O-CB 3.26Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-S32 PolarHBondContact O-OG 2.75Å; K30-S32 VanDerWaalsContact C-N 3.31Å; K30-S32 PolarHBondContact O-N 2.97Å; S32-L35 PolarHBondContact O-N 2.9Å; S32-Q36 WeakPolarHBondContact O-CB 3.45Å; S32-Q36 PolarHBondContact O-N 3.48Å
33Y91.5Very high78.2Confident105 Ų10580.4 Ų80.441%0.41246%0.464SS..Hα-helixtrans-69.6-43.8173.1-175.9-124.7000111.6S29 K30 L35 Q36 R37S29-Y33 PolarHBondContact O-N 2.92Å; K30-Y33 PolarHBondContact O-N 3.33Å; K30-Y33 VanDerWaalsContact O-N 3.13Å; Y33-L35 VanDerWaalsContact C-N 3.31Å; Y33-L35 PolarHBondContact O-N 2.78Å; Y33-Q36 PolarHBondContact O-N 2.8Å; Y33-R37 HydrophobicContact CD2-CG 4.11Å; Y33-R37 HydrophobicContact CE1-CG 4.41Å; Y33-R37 HydrophobicContact CE2-CG 3.87Å; Y33-R37 HydrophobicContact CG-CG 4.48Å; Y33-R37 WeakPolarHBondContact O-CB 3.46Å; Y33-R37 VanDerWaalsContact O-CG 3.23Å; Y33-R37 WeakPolarHBondContact O-CG 3.32Å; Y33-R37 PolarHBondContact O-N 2.81Å
34T92.4Very high80.2Confident42 Ų4277.8 Ų77.826%0.25845%0.445SS..Hα-helixtrans-52.3-49.4169.1-59.60000111K30 R37 Q38 L76 E79K30-T34 PolarHBondContact O-N 3.13Å; K30-T34 PolarHBondContact O-OG1 3.46Å; K30-T34 VanDerWaalsContact O-OG1 3.1Å; T34-R37 PolarHBondContact O-N 3.42Å; T34-Q38 WeakPolarHBondContact O-CB 3.44Å; T34-Q38 PolarHBondContact O-N 3.45Å; T34-L76 HydrophobicContact CG2-CD2 3.93Å; T34-E79 WeakPolarHBondContact CB-OE2 3.49Å; T34-E79 WeakPolarHBondContact CG2-OE2 3.27Å; T34-E79 VanDerWaalsContact OG1-CD 3.3Å; T34-E79 PolarHBondContact OG1-OE2 2.83Å
35L91.6Very high82.3Confident114 Ų11474.9 Ų74.960%0.59742%0.423SS*.Hα-helixtrans-63.9-45.9179-176.160.5000112.1V31 S32 Y33 R37 Q38 T39V31-L35 WeakPolarHBondContact O-CB 3.47Å; V31-L35 PolarHBondContact O-N 2.74Å; S32-L35 PolarHBondContact O-N 2.9Å; Y33-L35 VanDerWaalsContact C-N 3.31Å; Y33-L35 PolarHBondContact O-N 2.78Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.16Å; L35-Q38 PolarHBondContact O-N 3.23Å; L35-T39 WeakPolarHBondContact O-CB 3.39Å; L35-T39 PolarHBondContact O-N 2.83Å; L35-T39 PolarHBondContact O-OG1 3.06Å
36Q93.9Very high84.4Confident113 Ų11374.1 Ų74.153%0.52841%0.409SS..Hα-helixtrans-57.6-45.4175.6-173-1723000111.5S32 Y33 T39 I40S32-Q36 WeakPolarHBondContact O-CB 3.45Å; S32-Q36 PolarHBondContact O-N 3.48Å; Y33-Q36 PolarHBondContact O-N 2.8Å; Q36-T39 PolarHBondContact O-N 3.35Å; Q36-I40 HydrophobicContact CG-CD1 4.03Å; Q36-I40 VanDerWaalsContact O-CG1 3.31Å; Q36-I40 WeakPolarHBondContact O-CG1 3.23Å; Q36-I40 PolarHBondContact O-N 2.89Å
37R93.3Very high86Confident16 Ų1675.6 Ų75.66%0.0641%0.41CS..Hα-helixtrans-65.2-43.1178.5-68-137.3-83.62.1-173.3111.9Y33 T34 L35 T39 I40 F41 I72 E75 E79Y33-R37 HydrophobicContact CD2-CG 4.11Å; Y33-R37 HydrophobicContact CE1-CG 4.41Å; Y33-R37 HydrophobicContact CE2-CG 3.87Å; Y33-R37 HydrophobicContact CG-CG 4.48Å; Y33-R37 WeakPolarHBondContact O-CB 3.46Å; Y33-R37 VanDerWaalsContact O-CG 3.23Å; Y33-R37 WeakPolarHBondContact O-CG 3.32Å; Y33-R37 PolarHBondContact O-N 2.81Å; T34-R37 PolarHBondContact O-N 3.42Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.16Å; R37-T39 VanDerWaalsContact C-N 3.34Å; R37-T39 PolarHBondContact O-N 3.2Å; R37-I40 PolarHBondContact O-N 3.06Å; R37-F41 WeakPolarHBondContact O-CB 3.5Å; R37-F41 PolarHBondContact O-N 2.78Å; R37-I72 HydrophobicContact CB-CG2 4.07Å; R37-E75 IonicContact CZ-OE2 3.15Å; R37-E75 VanDerWaalsContact CZ-OE2 3.24Å; R37-E75 IonicContact NE-OE2 2.68Å; R37-E75 PolarHBondContact NE-OE2 3.03Å; R37-E75 IonicContact NH1-OE2 2.73Å; R37-E75 PolarHBondContact NH1-OE2 2.62Å; R37-E79 IonicContact CZ-OE1 2.68Å; R37-E79 IonicContact CZ-OE2 2.75Å; R37-E79 IonicContact NH1-OE1 3.03Å; R37-E79 PolarHBondContact NH1-OE1 3.01Å; R37-E79 IonicContact NH1-OE2 2.82Å; R37-E79 IonicContact NH2-OE1 3.8Å; R37-E79 PolarHBondContact NH2-OE1 3.46Å; R37-E79 VanDerWaalsContact NH2-OE1 3.15Å; R37-E79 IonicContact NH2-OE2 3.24Å; R37-E79 PolarHBondContact NH2-OE2 3.39Å
38Q94.4Very high87.1Confident72 Ų7275 Ų7534%0.33640%0.396SS..Hα-helixtrans-61.4-40.3173.7-175.265.178.200112.2T34 L35 F41 N42 L76T34-Q38 WeakPolarHBondContact O-CB 3.44Å; T34-Q38 PolarHBondContact O-N 3.45Å; L35-Q38 PolarHBondContact O-N 3.23Å; Q38-F41 PolarHBondContact O-N 2.97Å; Q38-N42 PolarHBondContact NE2-OD1 2.93Å; Q38-N42 WeakPolarHBondContact O-CB 3.28Å; Q38-N42 PolarHBondContact O-N 3.38Å; Q38-N42 PolarHBondContact O-OD1 3.24Å; Q38-L76 HydrophobicContact CB-CD1 4.47Å; Q38-L76 HydrophobicContact CB-CD2 4.49Å
39T94.4Very high88.4Confident66 Ų6677.1 Ų77.141%0.40539%0.389SS..Hα-helixtrans-64.6-45.6175.5-60.50000111.7L35 Q36 R37 F41 N42 I43L35-T39 WeakPolarHBondContact O-CB 3.39Å; L35-T39 PolarHBondContact O-N 2.83Å; L35-T39 PolarHBondContact O-OG1 3.06Å; Q36-T39 PolarHBondContact O-N 3.35Å; R37-T39 VanDerWaalsContact C-N 3.34Å; R37-T39 PolarHBondContact O-N 3.2Å; T39-F41 VanDerWaalsContact C-N 3.34Å; T39-F41 PolarHBondContact O-N 3.41Å; T39-N42 PolarHBondContact O-N 2.76Å; T39-I43 HydrophobicContact CG2-CD1 3.73Å; T39-I43 HydrophobicContact CG2-CG1 4.47Å; T39-I43 WeakPolarHBondContact O-CB 3.29Å; T39-I43 VanDerWaalsContact O-CG1 3.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.45Å; T39-I43 PolarHBondContact O-N 3.04Å
40I94.8Very high88.9Confident65 Ų6580.1 Ų80.133%0.33340%0.401SS..Hα-helixtrans-62.4-41.3176.4-69.3165.7000111Q36 R37 S44 I72Q36-I40 HydrophobicContact CG-CD1 4.03Å; Q36-I40 VanDerWaalsContact O-CG1 3.31Å; Q36-I40 WeakPolarHBondContact O-CG1 3.23Å; Q36-I40 PolarHBondContact O-N 2.89Å; R37-I40 PolarHBondContact O-N 3.06Å; I40-S44 VanDerWaalsContact O-CB 3.23Å; I40-S44 WeakPolarHBondContact O-CB 3.43Å; I40-S44 PolarHBondContact O-N 2.97Å; I40-S44 PolarHBondContact O-OG 3.41Å; I40-I72 HydrophobicContact CG2-CD1 3.97Å
41F95Very high88.4Confident31 Ų3181.4 Ų81.414%0.13641%0.408CS..Hα-helixtrans-58.9-53.1175.5-177-89.9000111R37 Q38 T39 I43 S44 L45 L69 I72 Q73R37-F41 WeakPolarHBondContact O-CB 3.5Å; R37-F41 PolarHBondContact O-N 2.78Å; Q38-F41 PolarHBondContact O-N 2.97Å; T39-F41 VanDerWaalsContact C-N 3.34Å; T39-F41 PolarHBondContact O-N 3.41Å; F41-I43 PolarHBondContact O-N 2.86Å; F41-S44 PolarHBondContact O-N 3.18Å; F41-L45 HydrophobicContact CE1-CD2 4.35Å; F41-L45 WeakPolarHBondContact O-CB 3.38Å; F41-L45 PolarHBondContact O-N 3.1Å; F41-L69 HydrophobicContact CB-CD2 4.5Å; F41-L69 HydrophobicContact CD2-CB 4.42Å; F41-L69 HydrophobicContact CD2-CD2 3.43Å; F41-L69 VanDerWaalsContact CD2-CD2 3.43Å; F41-L69 HydrophobicContact CE2-CB 4.16Å; F41-L69 HydrophobicContact CE2-CD2 3.7Å; F41-L69 HydrophobicContact CG-CD2 3.98Å; F41-L69 HydrophobicContact CZ-CD2 4.44Å; F41-I72 HydrophobicContact CB-CG2 3.89Å; F41-I72 HydrophobicContact CD2-CB 4.3Å; F41-I72 HydrophobicContact CD2-CG2 4.06Å; F41-I72 HydrophobicContact CG-CG2 4.38Å; F41-Q73 HydrophobicContact CE2-CB 3.98Å
42N94Very high87.7Confident80 Ų8086.1 Ų86.143%0.42841%0.414SS..Hα-helixtrans-61.5-43.9-178.7-68.8-1.3000112.1Q38 T39 M46Q38-N42 PolarHBondContact NE2-OD1 2.93Å; Q38-N42 WeakPolarHBondContact O-CB 3.28Å; Q38-N42 PolarHBondContact O-N 3.38Å; Q38-N42 PolarHBondContact O-OD1 3.24Å; T39-N42 PolarHBondContact O-N 2.76Å; N42-M46 WeakPolarHBondContact O-CB 3.34Å; N42-M46 WeakPolarHBondContact O-CG 3.2Å; N42-M46 PolarHBondContact O-N 3.4Å
43I93.9Very high86.5Confident87 Ų8788.2 Ų88.245%0.44643%0.426SS..Hα-helixtrans-64.9-41.7177.1-68.2169.3000111.2T39 F41 M46 K47T39-I43 HydrophobicContact CG2-CD1 3.73Å; T39-I43 HydrophobicContact CG2-CG1 4.47Å; T39-I43 WeakPolarHBondContact O-CB 3.29Å; T39-I43 VanDerWaalsContact O-CG1 3.29Å; T39-I43 WeakPolarHBondContact O-CG1 3.45Å; T39-I43 PolarHBondContact O-N 3.04Å; F41-I43 PolarHBondContact O-N 2.86Å; I43-M46 PolarHBondContact O-N 2.99Å; I43-K47 HydrophobicContact CG2-CD 4.32Å; I43-K47 WeakPolarHBondContact O-CB 3.48Å; I43-K47 WeakPolarHBondContact O-CG 3.38Å; I43-K47 PolarHBondContact O-N 3.19Å
44S91.3Very high84.9Confident29 Ų2990.3 Ų90.320%0.20344%0.444CS..Hα-helixtrans-69.4-38.6-179.6-58.20000111.7I40 F41 K47 L48I40-S44 VanDerWaalsContact O-CB 3.23Å; I40-S44 WeakPolarHBondContact O-CB 3.43Å; I40-S44 PolarHBondContact O-N 2.97Å; I40-S44 PolarHBondContact O-OG 3.41Å; F41-S44 PolarHBondContact O-N 3.18Å; S44-K47 PolarHBondContact O-N 3.24Å; S44-L48 VanDerWaalsContact O-CB 3.3Å; S44-L48 WeakPolarHBondContact O-CB 3.42Å; S44-L48 PolarHBondContact O-N 2.82Å
45L91.2Very high83.7Confident56 Ų5694.1 Ų94.129%0.29347%0.467SS..Hα-helixtrans-63.3-49.6172.6-159.978.9000110.7F41 K47 L48 Y49 L69F41-L45 HydrophobicContact CE1-CD2 4.35Å; F41-L45 WeakPolarHBondContact O-CB 3.38Å; F41-L45 PolarHBondContact O-N 3.1Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.98Å; L45-L48 PolarHBondContact O-N 2.74Å; L45-Y49 HydrophobicContact CD1-CD2 3.97Å; L45-Y49 HydrophobicContact CD1-CE2 3.62Å; L45-Y49 HydrophobicContact CG-CD2 3.98Å; L45-Y49 HydrophobicContact CG-CE2 4.16Å; L45-Y49 WeakPolarHBondContact O-CD2 3.5Å; L45-Y49 PolarHBondContact O-N 3.26Å; L45-L69 HydrophobicContact CD1-CD1 4.34Å
46M89Confident82.8Confident109 Ų10996.1 Ų96.154%0.53747%0.473SS..Hα-helixtrans-62-36.3177.7-75.6-72.798.700112.7N42 I43 N50N42-M46 WeakPolarHBondContact O-CB 3.34Å; N42-M46 WeakPolarHBondContact O-CG 3.2Å; N42-M46 PolarHBondContact O-N 3.4Å; I43-M46 PolarHBondContact O-N 2.99Å; M46-N50 WeakPolarHBondContact O-CB 3.48Å; M46-N50 PolarHBondContact O-N 2.97Å; M46-N50 PolarHBondContact O-ND2 3.47Å; M46-N50 PolarHBondContact SD-ND2 3.41Å; M46-N50 VanDerWaalsContact SD-ND2 3.4Å
47K86.1Confident81.9Confident125 Ų12593 Ų9354%0.54346%0.463SS..Hα-helixtrans-64.1-55.9170.1-78.2-179.4178.3-177.20111.2I43 S44 L45 Y49 N50 H51I43-K47 HydrophobicContact CG2-CD 4.32Å; I43-K47 WeakPolarHBondContact O-CB 3.48Å; I43-K47 WeakPolarHBondContact O-CG 3.38Å; I43-K47 PolarHBondContact O-N 3.19Å; S44-K47 PolarHBondContact O-N 3.24Å; L45-K47 VanDerWaalsContact C-N 3.31Å; L45-K47 PolarHBondContact O-N 2.98Å; K47-Y49 VanDerWaalsContact C-N 3.27Å; K47-Y49 PolarHBondContact O-N 3.25Å; K47-N50 PolarHBondContact O-N 3.09Å; K47-H51 VanDerWaalsContact C-CD2 3.48Å; K47-H51 WeakPolarHBondContact O-CB 3.33Å; K47-H51 PolarHBondContact O-CD2 3.15Å; K47-H51 PolarHBondContact O-N 2.75Å
48L83.4Confident81.5Confident36 Ų3695 Ų9519%0.18848%0.48CS..Hα-helixtrans-53.8-40.5-176-175.563.2000113.2S44 L45 I65 L69S44-L48 VanDerWaalsContact O-CB 3.3Å; S44-L48 WeakPolarHBondContact O-CB 3.42Å; S44-L48 PolarHBondContact O-N 2.82Å; L45-L48 PolarHBondContact O-N 2.74Å; L48-I65 HydrophobicContact CD2-CG2 4.26Å; L48-L69 HydrophobicContact CD2-CD1 4.04Å
49Y79.9Confident81.3Confident167 Ų16798.1 Ų98.166%0.65550%0.498SS*.Hα-helixtrans-98.7-14.5-175.6-68.8-81.8000115.7L45 K47L45-Y49 HydrophobicContact CD1-CD2 3.97Å; L45-Y49 HydrophobicContact CD1-CE2 3.62Å; L45-Y49 HydrophobicContact CG-CD2 3.98Å; L45-Y49 HydrophobicContact CG-CE2 4.16Å; L45-Y49 WeakPolarHBondContact O-CD2 3.5Å; L45-Y49 PolarHBondContact O-N 3.26Å; K47-Y49 VanDerWaalsContact C-N 3.27Å; K47-Y49 PolarHBondContact O-N 3.25Å
50N77.3Confident81Confident112 Ų112102.6 Ų102.660%0.59951%0.514SS*.Hα-helixtrans-102.81.9172.7-62.2-90.4000113.5M46 K47 R52M46-N50 WeakPolarHBondContact O-CB 3.48Å; M46-N50 PolarHBondContact O-N 2.97Å; M46-N50 PolarHBondContact O-ND2 3.47Å; M46-N50 PolarHBondContact SD-ND2 3.41Å; M46-N50 VanDerWaalsContact SD-ND2 3.4Å; K47-N50 PolarHBondContact O-N 3.09Å; N50-R52 PolarHBondContact O-N 2.73Å
51H65.8Low80.7Confident113 Ų113105.5 Ų105.552%0.52352%0.524SS..  trans-66.7101.7173-82.1-38.7000110.8K47K47-H51 VanDerWaalsContact C-CD2 3.48Å; K47-H51 WeakPolarHBondContact O-CB 3.33Å; K47-H51 PolarHBondContact O-CD2 3.15Å; K47-H51 PolarHBondContact O-N 2.75Å
52R62.5Low80.5Confident210 Ų210105.9 Ų105.979%0.79253%0.529SS*.  trans-47.9130.9167.8-173.9177.8-175.9175.51.2109.2N50 L54N50-R52 PolarHBondContact O-N 2.73Å; R52-L54 PolarHBondContact O-N 3.46Å
53P61.7Low80.5Confident104 Ų104105.4 Ų105.468%0.67553%0.529SS*.THydrogen-bonded Turntrans-73.730.9-166.229.9-38000115.3
54L57.3Low80.5Confident149 Ų149106.5 Ų106.578%0.7854%0.535SS*.THydrogen-bonded Turntrans-83.8-15.6178-161.565.6000112.5R52R52-L54 PolarHBondContact O-N 3.46Å
55T66.6Low80.6Confident122 Ų122107.7 Ų107.775%0.74854%0.539SS*.SBendtrans-152.192.7167.8-55.90000108.6
56E73.1Confident80.7Confident156 Ų156107.8 Ų107.873%0.72954%0.54SS*.PPolyproline II helixtrans-67.4138.4173.8-65.3-151.8153.700111
57P75.6Confident81Confident47 Ų47106.1 Ų106.131%0.30553%0.533SS..PPolyproline II helixtrans-64.7139.9173.124.9-30.9000110.7K61 T62P57-K61 HydrophobicContact CB-CB 4.05Å; P57-T62 WeakPolarHBondContact CG-OG1 3.41Å; P57-T62 PolarHBondContact O-OG1 3.4Å
58S84.6Confident81.4Confident60 Ų60104.5 Ų104.542%0.4253%0.528SS..PPolyproline II helixtrans-56147.8175.459.70000111.3Q60 K61 T62S58-Q60 PolarHBondContact O-N 3Å; S58-K61 WeakPolarHBondContact O-CA 3.48Å; S58-K61 WeakPolarHBondContact O-CB 3.29Å; S58-K61 PolarHBondContact O-N 2.81Å; S58-T62 PolarHBondContact O-N 3.49Å; S58-T62 PolarHBondContact O-OG1 2.92Å
59L89Confident82Confident136 Ų136103.3 Ų103.371%0.71252%0.522SS*.Hα-helixtrans-48.9-39.3-175.7-17862.9000113K61 T62 V63L59-K61 PolarHBondContact O-N 3.23Å; L59-T62 PolarHBondContact O-N 2.83Å; L59-V63 HydrophobicContact CD1-CG2 4.02Å; L59-V63 HydrophobicContact CG-CG2 4.27Å; L59-V63 WeakPolarHBondContact O-CB 3.46Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 3.47Å
60Q90.1Very high82.7Confident160 Ų160102 Ų10275%0.74852%0.516SS*.Hα-helixtrans-56.7-45.5173.7-172.7-169.621.900113S58 L64S58-Q60 PolarHBondContact O-N 3Å; Q60-L64 VanDerWaalsContact O-CB 3.23Å; Q60-L64 WeakPolarHBondContact O-CB 3.32Å; Q60-L64 PolarHBondContact O-N 3.31Å
61K87.9Confident83.5Confident126 Ų126104.5 Ų104.555%0.54852%0.517SS..Hα-helixtrans-66.9-44.2176.8-68.5175.4-179.9176.40110.6P57 S58 L59 L64 I65P57-K61 HydrophobicContact CB-CB 4.05Å; S58-K61 WeakPolarHBondContact O-CA 3.48Å; S58-K61 WeakPolarHBondContact O-CB 3.29Å; S58-K61 PolarHBondContact O-N 2.81Å; L59-K61 PolarHBondContact O-N 3.23Å; K61-L64 PolarHBondContact O-N 2.91Å; K61-I65 WeakPolarHBondContact O-CB 3.21Å; K61-I65 WeakPolarHBondContact O-CD1 3.38Å; K61-I65 VanDerWaalsContact O-CG1 3.23Å; K61-I65 WeakPolarHBondContact O-CG1 3.3Å; K61-I65 PolarHBondContact O-N 2.81Å
62T90.2Very high84.9Confident39 Ų3999.8 Ų99.824%0.23950%0.496CS..Hα-helixtrans-61.4-45.9178.4-52.40000111.7P57 S58 L59 I65 N66P57-T62 WeakPolarHBondContact CG-OG1 3.41Å; P57-T62 PolarHBondContact O-OG1 3.4Å; S58-T62 PolarHBondContact O-N 3.49Å; S58-T62 PolarHBondContact O-OG1 2.92Å; L59-T62 PolarHBondContact O-N 2.83Å; T62-I65 PolarHBondContact O-N 3.4Å; T62-N66 WeakPolarHBondContact O-CB 3.18Å; T62-N66 PolarHBondContact O-N 3.16Å; T62-N66 PolarHBondContact O-ND2 2.86Å
63V93.9Very high86.4Confident71 Ų7195.3 Ų95.343%0.4348%0.484SS..Hα-helixtrans-65.7-41.8176170.50000111.4L59 N66 N67L59-V63 HydrophobicContact CD1-CG2 4.02Å; L59-V63 HydrophobicContact CG-CG2 4.27Å; L59-V63 WeakPolarHBondContact O-CB 3.46Å; L59-V63 VanDerWaalsContact O-CG2 3.3Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 3.47Å; V63-N66 PolarHBondContact O-N 3.33Å; V63-N67 WeakPolarHBondContact O-CB 3.23Å; V63-N67 PolarHBondContact O-N 3.46Å; V63-N67 PolarHBondContact O-ND2 3.11Å
64L94.5Very high87.9Confident109 Ų10995 Ų9557%0.57147%0.474SS*.Hα-helixtrans-62.4-44.4176.4-179.961.3000112Q60 K61 N67 M68Q60-L64 VanDerWaalsContact O-CB 3.23Å; Q60-L64 WeakPolarHBondContact O-CB 3.32Å; Q60-L64 PolarHBondContact O-N 3.31Å; K61-L64 PolarHBondContact O-N 2.91Å; L64-N67 PolarHBondContact O-N 3.42Å; L64-M68 WeakPolarHBondContact O-CB 3.1Å; L64-M68 PolarHBondContact O-N 2.84Å
65I92.3Very high89.5Confident54 Ų5489.6 Ų89.628%0.27744%0.444SS..Hα-helixtrans-62.3-46.8176-69.3163.5000110.3L48 K61 T62 N67 M68 L69L48-I65 HydrophobicContact CD2-CG2 4.26Å; K61-I65 WeakPolarHBondContact O-CB 3.21Å; K61-I65 WeakPolarHBondContact O-CD1 3.38Å; K61-I65 VanDerWaalsContact O-CG1 3.23Å; K61-I65 WeakPolarHBondContact O-CG1 3.3Å; K61-I65 PolarHBondContact O-N 2.81Å; T62-I65 PolarHBondContact O-N 3.4Å; I65-N67 PolarHBondContact O-N 2.85Å; I65-M68 PolarHBondContact O-N 3.28Å; I65-L69 HydrophobicContact CG2-CD1 3.85Å; I65-L69 HydrophobicContact CG2-CG 4.33Å; I65-L69 WeakPolarHBondContact O-CB 3.37Å; I65-L69 VanDerWaalsContact O-CG 3.29Å; I65-L69 WeakPolarHBondContact O-CG 3.22Å; I65-L69 PolarHBondContact O-N 3.23Å
66N92.9Very high90.6Very high59 Ų5985.2 Ų85.232%0.31642%0.416SS..Hα-helixtrans-65.6-36178.4-82.2-86.2000113T62 V63 R70T62-N66 WeakPolarHBondContact O-CB 3.18Å; T62-N66 PolarHBondContact O-N 3.16Å; T62-N66 PolarHBondContact O-ND2 2.86Å; V63-N66 PolarHBondContact O-N 3.33Å; N66-R70 WeakPolarHBondContact O-CB 3.36Å; N66-R70 WeakPolarHBondContact O-CG 3.23Å; N66-R70 PolarHBondContact O-N 2.77Å
67N96.1Very high91.4Very high73 Ų7385.2 Ų85.239%0.3941%0.413SS..Hα-helixtrans-67.9-40.6173.8-72.8-13.1000111.9V63 L64 I65 R70 R71V63-N67 WeakPolarHBondContact O-CB 3.23Å; V63-N67 PolarHBondContact O-N 3.46Å; V63-N67 PolarHBondContact O-ND2 3.11Å; L64-N67 PolarHBondContact O-N 3.42Å; I65-N67 PolarHBondContact O-N 2.85Å; N67-R70 PolarHBondContact OD1-NH2 3.26Å; N67-R71 WeakPolarHBondContact O-CB 3.4Å; N67-R71 PolarHBondContact O-N 2.95Å
68M95.2Very high91.8Very high91 Ų9188.7 Ų88.745%0.44843%0.426SS..Hα-helixtrans-64.6-44.2174.3-173.8-174.9-64.200111.6L64 I65 R71 I72L64-M68 WeakPolarHBondContact O-CB 3.1Å; L64-M68 PolarHBondContact O-N 2.84Å; I65-M68 PolarHBondContact O-N 3.28Å; M68-R71 PolarHBondContact O-N 2.76Å; M68-I72 HydrophobicContact CG-CD1 3.87Å; M68-I72 WeakPolarHBondContact O-CB 3.4Å; M68-I72 VanDerWaalsContact O-CG1 3.3Å; M68-I72 WeakPolarHBondContact O-CG1 3.43Å; M68-I72 PolarHBondContact O-N 2.9Å
69L95.3Very high91.6Very high12 Ų1287.3 Ų87.36%0.06341%0.413CS..Hα-helixtrans-60.8-47.5176.1-75.4171.1000111.6F41 L45 L48 I65 I72 Q73F41-L69 HydrophobicContact CB-CD2 4.5Å; F41-L69 HydrophobicContact CD2-CB 4.42Å; F41-L69 HydrophobicContact CD2-CD2 3.43Å; F41-L69 VanDerWaalsContact CD2-CD2 3.43Å; F41-L69 HydrophobicContact CE2-CB 4.16Å; F41-L69 HydrophobicContact CE2-CD2 3.7Å; F41-L69 HydrophobicContact CG-CD2 3.98Å; F41-L69 HydrophobicContact CZ-CD2 4.44Å; L45-L69 HydrophobicContact CD1-CD1 4.34Å; L48-L69 HydrophobicContact CD2-CD1 4.04Å; I65-L69 HydrophobicContact CG2-CD1 3.85Å; I65-L69 HydrophobicContact CG2-CG 4.33Å; I65-L69 WeakPolarHBondContact O-CB 3.37Å; I65-L69 VanDerWaalsContact O-CG 3.29Å; I65-L69 WeakPolarHBondContact O-CG 3.22Å; I65-L69 PolarHBondContact O-N 3.23Å; L69-I72 PolarHBondContact O-N 3.13Å; L69-Q73 VanDerWaalsContact O-CB 3.32Å; L69-Q73 WeakPolarHBondContact O-CB 3.31Å; L69-Q73 PolarHBondContact O-N 3.1Å
70R95.4Very high90.5Very high140 Ų14083 Ų8353%0.52840%0.401SS..Hα-helixtrans-58.3-49.6175.4-78.9-168.8-71.8-166.60.1112N66 N67 I72 Q73 E74N66-R70 WeakPolarHBondContact O-CB 3.36Å; N66-R70 WeakPolarHBondContact O-CG 3.23Å; N66-R70 PolarHBondContact O-N 2.77Å; N67-R70 PolarHBondContact OD1-NH2 3.26Å; R70-I72 PolarHBondContact O-N 3.37Å; R70-Q73 CarbonylContact O-C 3.07Å; R70-Q73 WeakPolarHBondContact O-CB 3.35Å; R70-Q73 PolarHBondContact O-N 2.83Å; R70-Q73 VanDerWaalsContact O-N 3.16Å; R70-E74 WeakPolarHBondContact O-CB 3.46Å; R70-E74 VanDerWaalsContact O-CG 3.29Å; R70-E74 WeakPolarHBondContact O-CG 3.37Å; R70-E74 PolarHBondContact O-N 3.21Å
71R94.5Very high88.6Confident163 Ų16380.4 Ų80.462%0.61540%0.401SS*.Hα-helixtrans-58-46.3177.1178.8175.9172.6150.67.4112.2N67 M68 Q73 E74 E75N67-R71 WeakPolarHBondContact O-CB 3.4Å; N67-R71 PolarHBondContact O-N 2.95Å; M68-R71 PolarHBondContact O-N 2.76Å; R71-Q73 VanDerWaalsContact C-N 3.34Å; R71-Q73 PolarHBondContact O-N 2.68Å; R71-E74 PolarHBondContact O-N 2.68Å; R71-E75 WeakPolarHBondContact CG-OE1 3.23Å; R71-E75 IonicContact CZ-OE1 3.1Å; R71-E75 IonicContact NE-OE1 3.38Å; R71-E75 PolarHBondContact NE-OE1 2.59Å; R71-E75 IonicContact NH2-OE1 3.83Å; R71-E75 PolarHBondContact NH2-OE1 3.43Å; R71-E75 VanDerWaalsContact NH2-OE1 3.1Å; R71-E75 WeakPolarHBondContact O-CB 3.23Å; R71-E75 WeakPolarHBondContact O-CG 3.47Å; R71-E75 PolarHBondContact O-N 2.85Å
72I94.3Very high86.8Confident14 Ų1479.7 Ų79.77%0.07240%0.402CS..Hα-helixtrans-64.9-40178-67.7168.3000110.7R37 I40 F41 M68 L69 R70 E75 L76R37-I72 HydrophobicContact CB-CG2 4.07Å; I40-I72 HydrophobicContact CG2-CD1 3.97Å; F41-I72 HydrophobicContact CB-CG2 3.89Å; F41-I72 HydrophobicContact CD2-CB 4.3Å; F41-I72 HydrophobicContact CD2-CG2 4.06Å; F41-I72 HydrophobicContact CG-CG2 4.38Å; M68-I72 HydrophobicContact CG-CD1 3.87Å; M68-I72 WeakPolarHBondContact O-CB 3.4Å; M68-I72 VanDerWaalsContact O-CG1 3.3Å; M68-I72 WeakPolarHBondContact O-CG1 3.43Å; M68-I72 PolarHBondContact O-N 2.9Å; L69-I72 PolarHBondContact O-N 3.13Å; R70-I72 PolarHBondContact O-N 3.37Å; I72-E75 PolarHBondContact O-N 3.15Å; I72-L76 HydrophobicContact CG2-CD1 3.68Å; I72-L76 HydrophobicContact CG2-CG 4.13Å; I72-L76 VanDerWaalsContact O-CB 3.29Å; I72-L76 WeakPolarHBondContact O-CB 3.44Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.36Å
73Q93.1Very high84.6Confident116 Ų11686.4 Ų86.454%0.54242%0.423SS..Hα-helixtrans-64.9-38175.4-174180-0.400112.4F41 L69 R70 R71 K77F41-Q73 HydrophobicContact CE2-CB 3.98Å; L69-Q73 VanDerWaalsContact O-CB 3.32Å; L69-Q73 WeakPolarHBondContact O-CB 3.31Å; L69-Q73 PolarHBondContact O-N 3.1Å; R70-Q73 CarbonylContact O-C 3.07Å; R70-Q73 WeakPolarHBondContact O-CB 3.35Å; R70-Q73 PolarHBondContact O-N 2.83Å; R70-Q73 VanDerWaalsContact O-N 3.16Å; R71-Q73 VanDerWaalsContact C-N 3.34Å; R71-Q73 PolarHBondContact O-N 2.68Å; Q73-K77 VanDerWaalsContact O-CB 3.23Å; Q73-K77 WeakPolarHBondContact O-CB 3.29Å; Q73-K77 PolarHBondContact O-N 2.92Å
74E94.1Very high82.1Confident99 Ų9987.1 Ų87.146%0.46343%0.429SS..Hα-helixtrans-66.8-43174.9-73.9159-156.900111.7R70 R71 K77 Q78R70-E74 WeakPolarHBondContact O-CB 3.46Å; R70-E74 VanDerWaalsContact O-CG 3.29Å; R70-E74 WeakPolarHBondContact O-CG 3.37Å; R70-E74 PolarHBondContact O-N 3.21Å; R71-E74 PolarHBondContact O-N 2.68Å; E74-K77 PolarHBondContact O-N 3.05Å; E74-Q78 VanDerWaalsContact O-CG 3.32Å; E74-Q78 WeakPolarHBondContact O-CG 3.4Å; E74-Q78 PolarHBondContact O-N 2.92Å; E74-Q78 PolarHBondContact O-NE2 2.94Å
75E91.8Very high79.3Confident35 Ų3589.3 Ų89.316%0.16444%0.438CS..Hα-helixtrans-67.2-42.4175.1-71.4-176.5-15200111.5R37 R71 I72 K77 Q78 E79R37-E75 IonicContact CZ-OE2 3.15Å; R37-E75 VanDerWaalsContact CZ-OE2 3.24Å; R37-E75 IonicContact NE-OE2 2.68Å; R37-E75 PolarHBondContact NE-OE2 3.03Å; R37-E75 IonicContact NH1-OE2 2.73Å; R37-E75 PolarHBondContact NH1-OE2 2.62Å; R71-E75 WeakPolarHBondContact CG-OE1 3.23Å; R71-E75 IonicContact CZ-OE1 3.1Å; R71-E75 IonicContact NE-OE1 3.38Å; R71-E75 PolarHBondContact NE-OE1 2.59Å; R71-E75 IonicContact NH2-OE1 3.83Å; R71-E75 PolarHBondContact NH2-OE1 3.43Å; R71-E75 VanDerWaalsContact NH2-OE1 3.1Å; R71-E75 WeakPolarHBondContact O-CB 3.23Å; R71-E75 WeakPolarHBondContact O-CG 3.47Å; R71-E75 PolarHBondContact O-N 2.85Å; I72-E75 PolarHBondContact O-N 3.15Å; E75-K77 VanDerWaalsContact C-N 3.33Å; E75-K77 PolarHBondContact O-N 2.98Å; E75-Q78 PolarHBondContact O-N 3.1Å; E75-E79 WeakPolarHBondContact O-CB 3.3Å; E75-E79 WeakPolarHBondContact O-CG 3.49Å; E75-E79 PolarHBondContact O-N 3.37Å
76L89.1Confident76.8Confident29 Ų2994.9 Ų94.915%0.15246%0.461CS..Hα-helixtrans-65.8-32.4173.5-72171.2000112.4T34 Q38 I72 G80T34-L76 HydrophobicContact CG2-CD2 3.93Å; Q38-L76 HydrophobicContact CB-CD1 4.47Å; Q38-L76 HydrophobicContact CB-CD2 4.49Å; I72-L76 HydrophobicContact CG2-CD1 3.68Å; I72-L76 HydrophobicContact CG2-CG 4.13Å; I72-L76 VanDerWaalsContact O-CB 3.29Å; I72-L76 WeakPolarHBondContact O-CB 3.44Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.36Å; L76-G80 PolarHBondContact O-N 3.29Å
77K89Confident73.9Confident156 Ų15696.9 Ų96.968%0.67848%0.475SS*.Hα-helixtrans-70.4-36.9172.7-171.817968.9178.10111.6Q73 E74 E75 G80 S81Q73-K77 VanDerWaalsContact O-CB 3.23Å; Q73-K77 WeakPolarHBondContact O-CB 3.29Å; Q73-K77 PolarHBondContact O-N 2.92Å; E74-K77 PolarHBondContact O-N 3.05Å; E75-K77 VanDerWaalsContact C-N 3.33Å; E75-K77 PolarHBondContact O-N 2.98Å; K77-G80 CarbonylContact O-C 3.6Å; K77-G80 PolarHBondContact O-N 3.41Å; K77-S81 PolarHBondContact O-N 3.47Å
78Q84.6Confident71.1Confident120 Ų12098.8 Ų98.856%0.56149%0.491SS*.Hα-helixtrans-67.9-40.7172.4-74165.783.900111.5E74 E75 G80 S81 L82E74-Q78 VanDerWaalsContact O-CG 3.32Å; E74-Q78 WeakPolarHBondContact O-CG 3.4Å; E74-Q78 PolarHBondContact O-N 2.92Å; E74-Q78 PolarHBondContact O-NE2 2.94Å; E75-Q78 PolarHBondContact O-N 3.1Å; Q78-G80 VanDerWaalsContact C-N 3.32Å; Q78-S81 CarbonylContact O-C 3.6Å; Q78-S81 PolarHBondContact O-N 3.28Å; Q78-L82 WeakPolarHBondContact O-CG 3.34Å; Q78-L82 PolarHBondContact O-N 2.88Å
79E81.4Confident68.1Low32 Ų3299.9 Ų99.915%0.1551%0.508CS..Hα-helixtrans-67.6-32172.4-72.2174.717800112.1T34 R37 E75 L82T34-E79 WeakPolarHBondContact CB-OE2 3.49Å; T34-E79 WeakPolarHBondContact CG2-OE2 3.27Å; T34-E79 VanDerWaalsContact OG1-CD 3.3Å; T34-E79 PolarHBondContact OG1-OE2 2.83Å; R37-E79 IonicContact CZ-OE1 2.68Å; R37-E79 IonicContact CZ-OE2 2.75Å; R37-E79 IonicContact NH1-OE1 3.03Å; R37-E79 PolarHBondContact NH1-OE1 3.01Å; R37-E79 IonicContact NH1-OE2 2.82Å; R37-E79 IonicContact NH2-OE1 3.8Å; R37-E79 PolarHBondContact NH2-OE1 3.46Å; R37-E79 VanDerWaalsContact NH2-OE1 3.15Å; R37-E79 IonicContact NH2-OE2 3.24Å; R37-E79 PolarHBondContact NH2-OE2 3.39Å; E75-E79 WeakPolarHBondContact O-CB 3.3Å; E75-E79 WeakPolarHBondContact O-CG 3.49Å; E75-E79 PolarHBondContact O-N 3.37Å; E79-L82 CarbonylContact O-C 3.58Å; E79-L82 PolarHBondContact O-N 3.32Å; E79-L82 VanDerWaalsContact O-O 3.08Å
80G64.4Low65.2Low45 Ų45104.4 Ų104.446%0.46454%0.541SS..Hα-helixtrans-70-29.9169.800000113.7L76 K77 Q78 R83L76-G80 PolarHBondContact O-N 3.29Å; K77-G80 CarbonylContact O-C 3.6Å; K77-G80 PolarHBondContact O-N 3.41Å; Q78-G80 VanDerWaalsContact C-N 3.32Å; G80-R83 WeakPolarHBondContact O-CG 3.42Å
81S50.3Low62.6Low106 Ų106105.8 Ų105.874%0.74155%0.553SS**Hα-helixtrans-76.3-33.5169.7-169.20000111.7K77 Q78 R83K77-S81 PolarHBondContact O-N 3.47Å; Q78-S81 CarbonylContact O-C 3.6Å; Q78-S81 PolarHBondContact O-N 3.28Å; S81-R83 PolarHBondContact O-N 3.37Å
82L49.8Very low59.9Low111 Ų111103.8 Ų103.858%0.58156%0.562SS**SBendtrans-79.749.5164.1-62.9177.1000110.8Q78 E79Q78-L82 WeakPolarHBondContact O-CG 3.34Å; Q78-L82 PolarHBondContact O-N 2.88Å; E79-L82 CarbonylContact O-C 3.58Å; E79-L82 PolarHBondContact O-N 3.32Å; E79-L82 VanDerWaalsContact O-O 3.08Å
83R45.2Very low56.9Low180 Ų180108.3 Ų108.368%0.67959%0.59SS**  trans-43132.6162.9-80.3-63.4-65.5165.5-2.1107.8G80 S81 M85G80-R83 WeakPolarHBondContact O-CG 3.42Å; S81-R83 PolarHBondContact O-N 3.37Å; R83-M85 PolarHBondContact O-N 2.82Å
84P41.2Very low54.3Low86 Ų86109.2 Ų109.256%0.55860%0.603SS**  trans-52.7113.6162.3-23.333.5000106.9F86P84-F86 HydrophobicContact CB-CD2 4.15Å; P84-F86 HydrophobicContact CB-CE2 4.05Å; P84-F86 PolarHBondContact O-N 3.06Å
85M34.9Very low51.7Low155 Ų155112.2 Ų112.276%0.76462%0.618SS**  trans-72.979.8171.6-170.4166.9-174.200106.4R83 T87R83-M85 PolarHBondContact O-N 2.82Å; M85-T87 HydrophobicContact CG-CG2 4.47Å; M85-T87 PolarHBondContact O-N 2.96Å
86F40.7Very low49.5Very low171 Ų171115.7 Ų115.775%0.7564%0.643SS**  trans-53.792.7148.5-74-79000105.5P84 P88P84-F86 HydrophobicContact CB-CD2 4.15Å; P84-F86 HydrophobicContact CB-CE2 4.05Å; P84-F86 PolarHBondContact O-N 3.06Å; F86-P88 WeakPolarHBondContact O-CD 3.34Å
87T32.6Very low46.8Very low101 Ų101119.8 Ų119.862%0.6267%0.674SS**  trans-50.7122.3173.147.60000106.8M85 S89M85-T87 HydrophobicContact CG-CG2 4.47Å; M85-T87 PolarHBondContact O-N 2.96Å; T87-S89 PolarHBondContact O-N 2.84Å
88P36.5Very low44.4Very low112 Ų112118.6 Ų118.673%0.72768%0.675SS**  trans-61.3100.1162.126-30.9000105.8F86 S90F86-P88 WeakPolarHBondContact O-CD 3.34Å; P88-S90 PolarHBondContact O-N 2.9Å
89S31.4Very low42Very low114 Ų114118.3 Ų118.380%0.79769%0.687SS**PPolyproline II helixtrans-54.8126.3179.9-172.70000107.5T87 Q91T87-S89 PolarHBondContact O-N 2.84Å; S89-Q91 PolarHBondContact O-N 3.43Å
90S35.6Very low40Very low108 Ų108125.6 Ų125.676%0.75571%0.714SS**PPolyproline II helixtrans-54.1134.3-156.7-54.50000113P88P88-S90 PolarHBondContact O-N 2.9Å
91Q40.3Very low39Very low168 Ų168133.6 Ų133.679%0.78573%0.73SS**PPolyproline II helixtrans-57.2137.6161.8-66.1175.4-69.500109.5S89S89-Q91 PolarHBondContact O-N 3.43Å
92P36.9Very low38.2Very low122 Ų122136 Ų13679%0.79273%0.729SS**  trans-79.8108.4147.11.517.7000107.5
93T33.2Very low37.5Very low109 Ų109133.8 Ų133.867%0.66973%0.734SS**  trans-76.2127.1174.1-500000110.2E95T93-E95 HydrophobicContact CG2-CG 4.33Å
94T36.9Very low37.8Very low134 Ų134131.2 Ų131.282%0.82274%0.741SS**  trans-130.488.1167.354.90000110.8
95E40.8Very low38Very low163 Ų163133.4 Ų133.476%0.76276%0.755SS**  trans-64.8173157.1-75.5-94.312300110.9T93T93-E95 HydrophobicContact CG2-CG 4.33Å
96P45.8Very low37.9Very low108 Ų108129.9 Ų129.970%0.70175%0.751SS**  -129.8176.5-5637.2-21.5000110.6
97S32.3Very low37.6Very low115 Ų115131.2 Ų131.280%0.80476%0.756SS**  trans-146.3108.2168.765.10000113.3
98D38.7Very low37.5Very low131 Ų131131.6 Ų131.670%0.70176%0.763SS**  trans-58.7132169.3-88-52.9000112.4Y100D98-Y100 HydrophobicContact CB-CE1 4.37Å; D98-Y100 HydrophobicContact CB-CE2 3.95Å; D98-Y100 PolarHBondContact OD2-OH 3.28Å
99S33.7Very low37.3Very low114 Ų114134 Ų13480%0.79776%0.764SS**  trans-15382.5162.2-178.10000111.6
100Y39.2Very low37.3Very low184 Ų184135.1 Ų135.172%0.72276%0.76SS**  trans-45.5138.6176.5-34.8-91.5000115.6D98D98-Y100 HydrophobicContact CB-CE1 4.37Å; D98-Y100 HydrophobicContact CB-CE2 3.95Å; D98-Y100 PolarHBondContact OD2-OH 3.28Å
101R42.4Very low37.2Very low213 Ų213134.1 Ų134.180%0.80476%0.759SS**  trans145.5115.5152-82.5-64.8-158.1-169.56.8108.3
102E33.6Very low38Very low156 Ų156131.8 Ų131.873%0.72976%0.759SS**  cis101124.237-177.6-177.2171.400112.9
103G34.6Very low38.4Very low66 Ų66132 Ų13268%0.6876%0.76SS**  trans101.5109.416100000117.6
104P53.1Low38.5Very low126 Ų126131.9 Ų131.982%0.81876%0.764SS**  trans-90.6164.9165.337.3-34.1000112.3
105P43.9Very low38.3Very low131 Ų131131.2 Ų131.285%0.85176%0.764SS**  trans-130.8174.4134.937.8-28.7000112.7
106A33.6Very low38.2Very low82 Ų82131.5 Ų131.568%0.67877%0.765SS**  trans-136-179.5-171.500000113.2
107F33.9Very low38.2Very low199 Ų199131.8 Ų131.887%0.87377%0.767SS**  trans82149.3169.4-70.1-84.7000120.1
108S31.7Very low38.2Very low108 Ų108132 Ų13276%0.75577%0.767SS**  trans75.5140.5157.5-65.30000117.7
109H31.4Very low37.7Very low163 Ų163132.4 Ų132.476%0.75577%0.77SS**  cis-161.2159.8-5.5-149-143.5000111.9
110L31.6Very low37.9Very low137 Ų137134.7 Ų134.772%0.71777%0.772SS**  trans24.7122.8155.4-67.3-179.9000123.5
111A34Very low37.5Very low88 Ų88129 Ų12973%0.72777%0.769SS**  60.6153.3113.400000123.1
112P56.3Low37Very low119 Ų119124.4 Ų124.477%0.77377%0.77SS**  trans-94.9-178.6-171.540.5-38.3000114.5
113P46.5Very low37.2Very low126 Ų126122.8 Ų122.882%0.81877%0.77SS**  -145178.5109.140.3-26.3000116.7
114S34.8Very low37.4Very low107 Ų107125.7 Ų125.775%0.74878%0.775SS**  trans-77.2162.9-176.255.90000117.2
115S32Very low37.2Very low120 Ų120125.1 Ų125.184%0.83977%0.772SS**  trans-168.4140.1130.149.60000114.9
116H38.4Very low37Very low168 Ų168127 Ų12778%0.77877%0.773SS**  trans-110.6159.3157.746.5-112.5000107.8
117P46.9Very low37.1Very low114 Ų114131.4 Ų131.474%0.7478%0.78SS**  -158-155.488.738.8-15.3000114.7
118C31.5Very low37Very low120 Ų120126.2 Ų126.281%0.81177%0.774SS**  trans103.674.7161.2-64.30000119.6
119D29Very low37.2Very low140 Ų140127 Ų12775%0.74978%0.778SS**  trans-39151.3145.2178.530000116.8
120L36.8Very low37.9Very low162 Ų162126.9 Ų126.985%0.84878%0.782SS**  161.3125128.7-87.8167.1000116
121G30.6Very low38.1Very low64 Ų64127 Ų12766%0.6679%0.789SS**  112.9129.9128.100000121.7
122S32.9Very low38.6Very low117 Ų117128.9 Ų128.982%0.81879%0.793SS**  trans70.7143.9155.5-60.90000119
123T37.3Very low37.8Very low121 Ų121127.7 Ų127.774%0.74279%0.794SS**  cis-174.1156.3-1128.80000106.6
124T39.9Very low37.4Very low127 Ų127127 Ų12778%0.77979%0.792SS**  cis-160.2160.20.38.90000109.1
125P47.7Very low37.9Very low115 Ų115127.8 Ų127.875%0.74779%0.787SS**  trans-107.6144.3-173.838.2-30.8000116.1
126L40.7Very low38.2Very low169 Ų169130.3 Ų130.389%0.88579%0.79SS**  trans-149.4137.3152.6-68.8178.6000106.5
127E35.3Very low38.5Very low176 Ų176129.3 Ų129.382%0.82279%0.786SS**  cis79.4134.239.5-86.9-62.2168.700117
128A31.3Very low38.7Very low90 Ų90131.5 Ų131.574%0.74479%0.791SS**  trans57.3144.4-16900000116.4
129C35.2Very low39.3Very low124 Ų124133.2 Ų133.284%0.83879%0.792SS**  cis-135143.89.546.10000113.3
130L46.3Very low40.2Very low161 Ų161133.8 Ų133.884%0.84380%0.795SS**  trans-98.6165.6167.4-73.2169.5000110.4
131T37.2Very low40.5Very low139 Ų139133 Ų13385%0.85379%0.792SS**  trans64.9159.4170.940.50000117.2
132P44.5Very low41.3Very low127 Ų127134.7 Ų134.783%0.82579%0.79SS**  cis-120.1-179.13.938.9-23.7000115.4
133A39.6Very low41.5Very low94 Ų94138 Ų13878%0.77779%0.79SS**  trans-79.6161.8-177.800000114.7
134S36.5Very low41.4Very low112 Ų112137.1 Ų137.178%0.78379%0.788SS**  trans-156.9125.5143.5-104.60000107.2
135L46.3Very low41Very low123 Ų123136.6 Ų136.664%0.64478%0.784SS**  78.391.487.5-162.279000110.9E137L135-E137 HydrophobicContact CD1-CG 4.32Å; L135-E137 VanDerWaalsContact CD2-CD 3.44Å; L135-E137 HydrophobicContact CD2-CG 3.61Å; L135-E137 HydrophobicContact CG-CG 3.59Å
136L38.6Very low40.4Very low174 Ų174136.7 Ų136.791%0.91179%0.788SS**PPolyproline II helixtrans-86.6116.1155.4-81.9170.3000106.1
137E44.3Very low40.1Very low147 Ų147137.7 Ų137.769%0.68779%0.788SS**PPolyproline II helixtrans-96.5134.4169.6-54.9-172.697.100107.5L135 D139L135-E137 HydrophobicContact CD1-CG 4.32Å; L135-E137 VanDerWaalsContact CD2-CD 3.44Å; L135-E137 HydrophobicContact CD2-CG 3.61Å; L135-E137 HydrophobicContact CG-CG 3.59Å; E137-D139 PolarHBondContact O-N 3.34Å
138D51Low39.9Very low159 Ų159134.1 Ų134.185%0.8579%0.788SS**PPolyproline II helixtrans-73.3116.2173.2-53.1-86.8000108.9
139D45.1Very low39.9Very low156 Ų156138.6 Ų138.683%0.83480%0.796SS**  trans-129.469.6179.3-139.4-66.8000110.1E137E137-D139 PolarHBondContact O-N 3.34Å
140D48.3Very low40.1Very low152 Ų152141.4 Ų141.481%0.81380%0.797SS**  trans-75.8107.1159.7-72.5-63.9000108.6
141D42.9Very low39.6Very low147 Ų147138.8 Ų138.879%0.78679%0.789SS**  trans-174.9156.4132-120.9-36.9000118.4
142T46.6Very low39.2Very low98 Ų98138.5 Ų138.560%0.60179%0.788SS**  trans80137.11563.60000124.1
143F36.8Very low38.9Very low187 Ų187137 Ų13782%0.8279%0.786SS**  trans76.3128.8161.9-61.1-64.1000118.8
144C34.4Very low39.2Very low103 Ų103138.3 Ų138.370%0.69679%0.786SS**  cis-153.5124.2-0.3-159.80000115.3
145T33.3Very low38.9Very low115 Ų115139.4 Ų139.471%0.70679%0.789SS**  trans36.4119.8139.8-44.30000122.6
146S34.1Very low38.6Very low118 Ų118142.9 Ų142.983%0.82580%0.799SS**  trans-173.186.5133.8-800000110.1
147Q34.7Very low38.3Very low189 Ų189142.5 Ų142.588%0.88380%0.797SS**  63.699.592.6-166.3-171.1110.700116
148A30.3Very low38.2Very low101 Ų101140.6 Ų140.684%0.83580%0.799SS**  trans-157.3144.5148.500000110.1
149M32.4Very low37.6Very low184 Ų184138.7 Ų138.791%0.90680%0.796SS**  trans-76.2144.4-174.2-70.1148.166.900113.4
150Q38.3Very low37.3Very low184 Ų184136.2 Ų136.286%0.8679%0.788SS**  trans-98.1159.5144.7-74.4-158.1-2.900109.8
151P35.5Very low37.2Very low105 Ų105135.9 Ų135.968%0.68279%0.792SS**  -139.7154.5114.537.8-27.4000115.3
152T29.5Very low37.1Very low133 Ų133135.8 Ų135.882%0.81679%0.791SS**  trans6212315351.40000120.8
153A38.9Very low37.2Very low95 Ų95135.4 Ų135.479%0.78579%0.792SS**  trans-126.9173.9150.400000107.9
154P44.8Very low37.8Very low122 Ų122132.5 Ų132.579%0.79279%0.792SS**  cis-125.4153.6-32.334.5-21000112.2
155T31.8Very low38.6Very low135 Ų135135.9 Ų135.983%0.82880%0.797SS**  trans-127.595.4172.2-52.20000113.1
156K39.9Very low39.8Very low196 Ų196136.3 Ų136.385%0.85279%0.79SS**  trans-6.3116.3150.3-178.9-177.6-179.4179.20116.1
157L31.6Very low41.1Very low167 Ų167136.3 Ų136.387%0.87478%0.78SS**  trans-122.4153.7160.6-71.8176.2000110.5
158S42.6Very low43Very low106 Ų106132.6 Ų132.674%0.74178%0.775SS**PPolyproline II helixtrans-76.6154.8-172.7-54.60000113.1
159P37.8Very low45.1Very low120 Ų120136.1 Ų136.178%0.77977%0.772SS**PPolyproline II helixtrans-69.7134.4171.329.8-34.3000111
160P39.7Very low47.1Very low104 Ų104129.8 Ų129.868%0.67575%0.746SS**PPolyproline II helixtrans-78.5132.7163.231.8-30.9000109.8L162P160-L162 PolarHBondContact O-N 3.25Å
161T45.1Very low48.9Very low145 Ų145124 Ų12489%0.8973%0.726SS**  trans-68.5112.6168.5-52.30000109
162L41.5Very low51Low145 Ų145120.9 Ų120.976%0.75971%0.708SS**  trans-119.9157.3169-69.6175.5000110P160P160-L162 PolarHBondContact O-N 3.25Å
163S47.5Very low53.5Low90 Ų90119.4 Ų119.463%0.62970%0.695SS**  trans-59.5157.8-176.142.20000112.8E165S163-E165 VanDerWaalsContact C-N 3.29Å; S163-E165 PolarHBondContact O-N 3.45Å
164P49.8Very low55.4Low125 Ų125118 Ų11881%0.81268%0.675SS**  trans-63.695.9159.729.5-33000108.3K166P164-K166 PolarHBondContact O-N 3.05Å; P164-K166 VanDerWaalsContact O-N 3.08Å
165E51.8Low57.1Low174 Ų174118.1 Ų118.181%0.81366%0.664SS**  trans-59.3110.6156.1-68.9-169.2117.600106S163 D167S163-E165 VanDerWaalsContact C-N 3.29Å; S163-E165 PolarHBondContact O-N 3.45Å; E165-D167 PolarHBondContact O-N 2.87Å; E165-D167 VanDerWaalsContact O-N 3.08Å
166K58.6Low59.4Low125 Ų125116.8 Ų116.854%0.54365%0.651SS.*  trans-55.6117.8165.6-83.4-172.6170.8-173.20106P164 D174P164-K166 PolarHBondContact O-N 3.05Å; P164-K166 VanDerWaalsContact O-N 3.08Å; K166-D174 WeakPolarHBondContact CD-OD2 3.49Å; K166-D174 IonicContact NZ-OD1 3.71Å; K166-D174 PolarHBondContact NZ-OD1 2.91Å; K166-D174 IonicContact NZ-OD2 3.69Å; K166-D174 PolarHBondContact NZ-OD2 3.47Å
167D62Low60.8Low118 Ų118113.5 Ų113.563%0.63164%0.639SS**  trans-46.8149.2175.4-70.1-81.6000110E165 F169 S170 S171E165-D167 PolarHBondContact O-N 2.87Å; E165-D167 VanDerWaalsContact O-N 3.08Å; D167-F169 CarbonylContact O-C 3.57Å; D167-F169 PolarHBondContact O-N 2.83Å; D167-S170 WeakPolarHBondContact O-CA 3.4Å; D167-S170 WeakPolarHBondContact O-CB 3.44Å; D167-S170 PolarHBondContact O-N 2.72Å; D167-S171 PolarHBondContact O-N 3.01Å
168S74Confident62.6Low110 Ų110114 Ų11477%0.76964%0.636SS**Hα-helixtrans-50.2-30.5177.6-174.10000112.3A172S168-A172 WeakPolarHBondContact O-CB 3.41Å; S168-A172 PolarHBondContact O-N 2.87Å; S168-A172 VanDerWaalsContact O-N 3.1Å
169F73Confident63.7Low176 Ų176115.4 Ų115.477%0.77264%0.635SS**Hα-helixtrans-69.1-40173.4-142.6-85.9000114.3D167 L173D167-F169 CarbonylContact O-C 3.57Å; D167-F169 PolarHBondContact O-N 2.83Å; F169-L173 PolarHBondContact O-N 3.3Å; F169-L173 VanDerWaalsContact O-N 3.15Å
170S76.1Confident64.4Low51 Ų51113.1 Ų113.136%0.35762%0.621SS.*Hα-helixtrans-68.6-45.4175.7-63.90000110.8D167 A172 L173 D174D167-S170 WeakPolarHBondContact O-CA 3.4Å; D167-S170 WeakPolarHBondContact O-CB 3.44Å; D167-S170 PolarHBondContact O-N 2.72Å; S170-A172 VanDerWaalsContact C-N 3.29Å; S170-A172 PolarHBondContact O-N 3.41Å; S170-L173 WeakPolarHBondContact O-CA 3.42Å; S170-L173 VanDerWaalsContact O-CB 3.31Å; S170-L173 WeakPolarHBondContact O-CB 3.31Å; S170-L173 PolarHBondContact O-N 2.85Å; S170-D174 PolarHBondContact O-N 2.96Å
171S76.3Confident64.7Low63 Ų63114 Ų11444%0.44163%0.627SS.*Hα-helixtrans-62.8-35.1177.8-168.60000112.7D167 L173 E175D167-S171 PolarHBondContact O-N 3.01Å; S171-L173 VanDerWaalsContact C-N 3.31Å; S171-E175 PolarHBondContact O-N 3.44Å
172A79.1Confident64.6Low38 Ų38112.6 Ų112.631%0.31462%0.618SS.*Hα-helixtrans-71.2-25.8172.900000112.7S168 S170 I176S168-A172 WeakPolarHBondContact O-CB 3.41Å; S168-A172 PolarHBondContact O-N 2.87Å; S168-A172 VanDerWaalsContact O-N 3.1Å; S170-A172 VanDerWaalsContact C-N 3.29Å; S170-A172 PolarHBondContact O-N 3.41Å; A172-I176 WeakPolarHBondContact O-CD1 3.42Å; A172-I176 WeakPolarHBondContact O-CG1 3.38Å; A172-I176 PolarHBondContact O-N 2.9Å; A172-I176 VanDerWaalsContact O-N 3.09Å
173L82.8Confident64.6Low102 Ų102110.9 Ų110.953%0.53462%0.618SS.*Hα-helixtrans-72.8-44.5175.4-138.5172.7000110.7F169 S170 S171 E175 I176 E177F169-L173 PolarHBondContact O-N 3.3Å; F169-L173 VanDerWaalsContact O-N 3.15Å; S170-L173 WeakPolarHBondContact O-CA 3.42Å; S170-L173 VanDerWaalsContact O-CB 3.31Å; S170-L173 WeakPolarHBondContact O-CB 3.31Å; S170-L173 PolarHBondContact O-N 2.85Å; S171-L173 VanDerWaalsContact C-N 3.31Å; L173-E175 VanDerWaalsContact C-N 3.3Å; L173-E175 PolarHBondContact O-N 3.4Å; L173-I176 PolarHBondContact O-N 3.43Å; L173-E177 PolarHBondContact O-N 3.33Å
174D78.5Confident64.4Low67 Ų67112.8 Ų112.836%0.35863%0.626SS.*Hα-helixtrans-55.4-45.1171-64.9-83.6000111.3K166 S170 I176 E177 E178K166-D174 WeakPolarHBondContact CD-OD2 3.49Å; K166-D174 IonicContact NZ-OD1 3.71Å; K166-D174 PolarHBondContact NZ-OD1 2.91Å; K166-D174 IonicContact NZ-OD2 3.69Å; K166-D174 PolarHBondContact NZ-OD2 3.47Å; S170-D174 PolarHBondContact O-N 2.96Å; D174-I176 PolarHBondContact O-N 2.75Å; D174-E177 PolarHBondContact O-N 2.93Å; D174-E178 PolarHBondContact O-N 3.46Å
175E79.5Confident63.9Low123 Ų123112.5 Ų112.558%0.57563%0.627SS**Hα-helixtrans-63.2-38.6179.1-173.1179.4173.300112.6S171 L173 L179S171-E175 PolarHBondContact O-N 3.44Å; L173-E175 VanDerWaalsContact C-N 3.3Å; L173-E175 PolarHBondContact O-N 3.4Å; E175-L179 HydrophobicContact CG-CD1 4.48Å; E175-L179 VanDerWaalsContact O-CG 3.28Å; E175-L179 WeakPolarHBondContact O-CG 3.23Å; E175-L179 PolarHBondContact O-N 2.89Å
176I79.4Confident63.3Low108 Ų108109.3 Ų109.355%0.55462%0.62SS**Hα-helixtrans-71.7-33.9176.5-69.2164000111.6A172 L173 D174 C180A172-I176 WeakPolarHBondContact O-CD1 3.42Å; A172-I176 WeakPolarHBondContact O-CG1 3.38Å; A172-I176 PolarHBondContact O-N 2.9Å; A172-I176 VanDerWaalsContact O-N 3.09Å; L173-I176 PolarHBondContact O-N 3.43Å; D174-I176 PolarHBondContact O-N 2.75Å; I176-C180 PolarHBondContact O-N 3Å; I176-C180 PolarHBondContact O-SG 2.87Å
177E71.1Confident62.5Low127 Ų127112.4 Ų112.459%0.59364%0.636SS**Hα-helixtrans-70.6-40.7176.6-169.6166.3-162.500111.7L173 D174 L179 C180L173-E177 PolarHBondContact O-N 3.33Å; D174-E177 PolarHBondContact O-N 2.93Å; E177-L179 VanDerWaalsContact C-N 3.31Å; E177-L179 PolarHBondContact O-N 3.29Å; E177-C180 WeakPolarHBondContact O-CB 3.34Å; E177-C180 PolarHBondContact O-N 2.78Å; E177-C180 VanDerWaalsContact O-N 3.16Å
178E68.2Low61.2Low176 Ų176111.6 Ų111.682%0.82265%0.646SS**Hα-helixtrans-65.4-31.3175.2-170.8173.1-171.600112.9D174 C180D174-E178 PolarHBondContact O-N 3.46Å; E178-C180 VanDerWaalsContact C-N 3.29Å; E178-C180 PolarHBondContact O-N 3.32Å
179L65.3Low59.5Low136 Ų136111.3 Ų111.371%0.71265%0.65SS**THydrogen-bonded Turntrans-76.4-12.6175.3-71.2171.6000113.9E175 E177 P181E175-L179 HydrophobicContact CG-CD1 4.48Å; E175-L179 VanDerWaalsContact O-CG 3.28Å; E175-L179 WeakPolarHBondContact O-CG 3.23Å; E175-L179 PolarHBondContact O-N 2.89Å; E177-L179 VanDerWaalsContact C-N 3.31Å; E177-L179 PolarHBondContact O-N 3.29Å; L179-P181 WeakPolarHBondContact O-CD 3.32Å
180C52.7Low57.7Low72 Ų72107.2 Ų107.249%0.48665%0.649SS.*SBendtrans-85.8118173.4-69.10000110I176 E177 E178 T182I176-C180 PolarHBondContact O-N 3Å; I176-C180 PolarHBondContact O-SG 2.87Å; E177-C180 WeakPolarHBondContact O-CB 3.34Å; E177-C180 PolarHBondContact O-N 2.78Å; E177-C180 VanDerWaalsContact O-N 3.16Å; E178-C180 VanDerWaalsContact C-N 3.29Å; E178-C180 PolarHBondContact O-N 3.32Å; C180-T182 VanDerWaalsContact C-N 3.33Å; C180-T182 PolarHBondContact O-N 2.74Å
181P46.4Very low55.8Low123 Ų123109.8 Ų109.880%0.79967%0.673SS**  trans-68.692.217628.2-33.9000110L179 S183L179-P181 WeakPolarHBondContact O-CD 3.32Å; P181-S183 PolarHBondContact O-N 3.23Å
182T42.7Very low54.1Low116 Ų116111.4 Ų111.471%0.71269%0.691SS**  trans-57.9105.8173.2-67.70000108.2C180 T184C180-T182 VanDerWaalsContact C-N 3.33Å; C180-T182 PolarHBondContact O-N 2.74Å; T182-T184 PolarHBondContact O-N 3.43Å
183S42.6Very low52.2Low108 Ų108116.5 Ų116.576%0.75572%0.718SS**  trans-64.4119.7175.6-69.50000108.5P181 S185P181-S183 PolarHBondContact O-N 3.23Å; S183-S185 PolarHBondContact O-N 2.92Å
184T42.7Very low49.8Very low130 Ų130119 Ų11980%0.79873%0.731SS**  trans-61.687.4172.9-590000109.8T182 T186T182-T184 PolarHBondContact O-N 3.43Å; T184-T186 PolarHBondContact O-N 2.96Å; T184-T186 VanDerWaalsContact O-N 3.16Å
185S39.4Very low48Very low119 Ų119120.5 Ų120.583%0.83275%0.747SS**  trans-8287.6168.9-175.70000108.2S183S183-S185 PolarHBondContact O-N 2.92Å
186T38.2Very low45.8Very low107 Ų107120.6 Ų120.666%0.65676%0.756SS**  trans-48.1143.7174.7-54.30000112.1T184 A188T184-T186 PolarHBondContact O-N 2.96Å; T184-T186 VanDerWaalsContact O-N 3.16Å; T186-A188 PolarHBondContact O-N 3.33Å
187E42Very low43.6Very low191 Ų191125.3 Ų125.389%0.89377%0.773SS**  trans-45.2117.3171-176.8-172.8146.800112.9
188A34.8Very low41.6Very low100 Ų100122.2 Ų122.283%0.82677%0.774SS**  trans-154.865176.800000111.9T186T186-A188 PolarHBondContact O-N 3.33Å
189A38.5Very low39.9Very low104 Ų104120.4 Ų120.486%0.8678%0.776SS**  trans-126.956.9-174.600000114.1
190A35.9Very low38.4Very low91 Ų91118.3 Ų118.375%0.75277%0.772SS**  trans-143.9101.4161.400000107.8
191A35.5Very low37.6Very low104 Ų104119.9 Ų119.986%0.8678%0.784SS**  72.9113.485.900000112
192A41Very low37.1Very low98 Ų98122.1 Ų122.181%0.8178%0.784SS**  trans-84.6143.2-175.200000112.6
193T38.5Very low36.7Very low145 Ų145120.9 Ų120.989%0.8979%0.786SS**  trans-157.2153.3144.912.10000113.7
194D33.2Very low36.2Very low153 Ų153119.8 Ų119.882%0.81879%0.792SS**  trans84.9157.5154-141.65.9000120.1
195S40.1Very low35.8Very low99 Ų99117.9 Ų117.969%0.69279%0.789SS**  trans-101.9178-160-50.30000112.2
196V34.7Very low35.6Very low125 Ų125121.5 Ų121.576%0.75879%0.793SS**  trans144.8107.2130.8168.10000112.7
197K32.1Very low35.3Very low208 Ų208124.9 Ų124.990%0.90480%0.799SS**  trans72.4126.6137.3-175.3-174.7178.6-176.10121.3
198G29.6Very low34.8Very low61 Ų61122 Ų12263%0.62979%0.789SS**  trans142.2108.2163.400000109.7
199T31.7Very low34.5Very low138 Ų138124.5 Ų124.585%0.84779%0.788SS**  63.712365.7-141.90000111.9
200S35.4Very low34.1Very low92 Ų92123 Ų12364%0.64378%0.783SS**  cis-171.6166-433.60000110
201S34.8Very low34.2Very low106 Ų106124.7 Ų124.774%0.74179%0.786SS**  trans69.6155.3153.8-68.50000117.6
202E35.8Very low34.2Very low169 Ų169128.4 Ų128.479%0.7979%0.785SS**  cis-148.1133.2-12.3-99.7-103.1117.100106.3
203A35.3Very low33.6Very low90 Ų90132.5 Ų132.574%0.74479%0.788SS**  68.5127.8104.400000116.6
204G31.8Very low33.2Very low86 Ų86130.2 Ų130.289%0.88778%0.777SS**  trans175.280.7179.200000111.6
205A33.5Very low33.2Very low90 Ų90134.3 Ų134.374%0.74478%0.781SS**  trans-116.4139.3-169.400000113.4
206Q34.7Very low32.8Very low195 Ų195134.2 Ų134.291%0.91179%0.787SS**  trans172.6149.8147.6-94.4149.95100108.6
207K32Very low32.8Very low178 Ų178135.5 Ų135.577%0.77479%0.79SS**  cis142.6129.4-22-177.6-140.4-176.4-1580108.1
208L32Very low33.2Very low130 Ų130132.7 Ų132.768%0.68179%0.785SS**  trans101.5130.9156.1-141.879.2000119
209D29Very low33.6Very low153 Ų153135.7 Ų135.782%0.81880%0.796SS**  trans23.7148.9151-69.5-125.9000124.9
210G30.1Very low33.9Very low72 Ų72137.8 Ų137.874%0.74279%0.793SS**  trans146.3118.6150.500000114.7
211P38.5Very low34.2Very low126 Ų126139.6 Ų139.682%0.81880%0.795SS**  trans-95.8141.3-178.235.7-33.4000114.9
212Q33.9Very low34.4Very low183 Ų183142 Ų14286%0.85580%0.797SS**  trans26.1114.2136.2-178.9-174.4-14.400119.4
213E28.8Very low34.9Very low184 Ų184140.7 Ų140.786%0.8680%0.795SS**  -163.9158.8121.3-125-171.994.800115.5
214S30.3Very low35.3Very low96 Ų96142.2 Ų142.267%0.67180%0.8SS**  trans55.3108.4155.1-1480000123.2
215R33.4Very low35.7Very low239 Ų239145.3 Ų145.390%0.90280%0.795SS**  trans20.5130.3138.3-54.9-177.4-177.2-137.53120.9
216A31.2Very low36Very low98 Ų98147.7 Ų147.781%0.8180%0.803SS**  -170.1164.2106.100000112
217D35.5Very low36.7Very low152 Ų152141.9 Ų141.981%0.81380%0.796SS**  trans-73.1172.2-163-63.4-100.5000118.9
218D39.3Very low37Very low149 Ų149139.2 Ų139.280%0.79779%0.79SS**  trans66.199.7156.2-97.4-54.7000120.7
219S38.6Very low37.3Very low124 Ų124142.3 Ų142.387%0.86780%0.798SS**  trans-156.793.2145.5-83.10000112.9
220K38.2Very low37.9Very low181 Ų181142.3 Ų142.379%0.78779%0.793SS**  trans-26.2145160.3172.9-172.3178.3-173.60117.4
221L41.3Very low38.9Very low131 Ų131146.3 Ų146.369%0.68680%0.796SS**  trans68.8153.2173.8-76.1160.4000114
222M39.5Very low39.3Very low157 Ų157145.7 Ų145.777%0.77379%0.79SS**  cis-147.2166.912.833-90.1135.400111.6
223D46.2Very low39.7Very low141 Ų141143.3 Ų143.375%0.75479%0.788SS**  trans34111160.2-87.1-105.8000121.1
224S42.7Very low40.3Very low121 Ų121138.9 Ų138.985%0.84678%0.778SS**  trans-153.6141.2139.7-79.80000109.8
225L40.9Very low40.9Very low151 Ų151140.8 Ų140.879%0.79179%0.785SS**  trans-74.2148.7-168.2-7471.3000112.5G227L225-G227 PolarHBondContact O-N 2.91Å
226P40.8Very low41.8Very low140 Ų140132.6 Ų132.691%0.90978%0.775SS**  trans-71.297.2170.430-33.4000110.2
227G48.5Very low42.6Very low73 Ų73137.3 Ų137.375%0.75378%0.778SS**  trans-138.57.4-169.800000116.8L225L225-G227 PolarHBondContact O-N 2.91Å
228N37.5Very low43.2Very low122 Ų122136.9 Ų136.965%0.65278%0.775SS**  trans-150.3127.8172.1-16429.7000109.8E230N228-E230 WeakPolarHBondContact ND2-CG 3.35Å; N228-E230 PolarHBondContact ND2-OE1 3.38Å
229F39.7Very low43.8Very low196 Ų196136.4 Ų136.486%0.8678%0.777SS**  trans-11271.9-177.4-140-76.8000110.2I231F229-I231 HydrophobicContact CD1-CG1 4.18Å; F229-I231 PolarHBondContact O-N 2.98Å
230E40.8Very low44.5Very low153 Ų153138 Ų13872%0.71578%0.776SS**  trans-76.1110.4176.3-81.1169.7173.900110.8N228 T232N228-E230 WeakPolarHBondContact ND2-CG 3.35Å; N228-E230 PolarHBondContact ND2-OE1 3.38Å; E230-T232 PolarHBondContact O-N 3.22Å
231I52.2Low44.9Very low155 Ų155135.2 Ų135.280%0.79577%0.769SS**  trans-86.790.6-179.2-54.9174.7000109.1F229F229-I231 HydrophobicContact CD1-CG1 4.18Å; F229-I231 PolarHBondContact O-N 2.98Å
232T47.1Very low45.6Very low113 Ų113132.4 Ų132.469%0.69376%0.758SS**  trans-142.8129.2170.5-6.80000113E230E230-T232 PolarHBondContact O-N 3.22Å
233T41.9Very low46.4Very low133 Ų133129.3 Ų129.382%0.81674%0.744SS**  trans69.2146.7-179.884.40000114.1
234S40Very low46.8Very low92 Ų92127.8 Ų127.864%0.64374%0.736SS**  cis-142158.414.2-70.60000113.1
235T43.5Very low47.5Very low135 Ų135127 Ų12783%0.82872%0.722SS**  trans57.5135.3155.548.70000119.5
236G53.3Low48.5Very low67 Ų67124.5 Ų124.569%0.69171%0.709SS**  cis14019.4500000115.6
237F47.5Very low49.5Very low197 Ų197123 Ų12386%0.86469%0.692SS**  trans-138.46.5-168.8-83.2-78000115.7
238L47.9Very low49.8Very low144 Ų144125.4 Ų125.475%0.75468%0.682SS**SBendtrans-115.824.6-166.3-97.7166.6000114.8L243L238-L243 HydrophobicContact CD2-CD1 4.3Å
239T51.8Low50.9Low138 Ų138123.4 Ų123.485%0.84768%0.683SS**SBendtrans-125.83-171.756.90000115.2
240D52.2Low51.9Low158 Ų158121 Ų12185%0.84568%0.679SS**SBendtrans-125.723.9-172.4-156.936000113.6
241L47.8Very low53.1Low123 Ų123117.9 Ų117.964%0.64467%0.666SS**SBendtrans-146.3123153.2-164.656.1000106.7L243 I246L241-L243 PolarHBondContact O-N 2.99Å; L241-I246 HydrophobicContact CD2-CD1 3.52Å; L241-I246 HydrophobicContact CG-CD1 3.75Å
242T55.9Low53.3Low72 Ų72116.5 Ų116.544%0.44266%0.66SS.*  trans-60.9102.9-174.3240000110.2D244 D245 I246T242-D244 PolarHBondContact O-N 3.08Å; T242-D245 WeakPolarHBondContact CB-OD2 3.48Å; T242-D245 PolarHBondContact O-N 2.91Å; T242-D245 PolarHBondContact OG1-OD2 2.87Å; T242-I246 PolarHBondContact O-N 3.36Å
243L55.6Low54Low91 Ų91116.1 Ų116.148%0.47666%0.658SS.*Hα-helixtrans-59.4-29.8174.1-76.9173.8000110.9L238 L241 I246 L247L238-L243 HydrophobicContact CD2-CD1 4.3Å; L241-L243 PolarHBondContact O-N 2.99Å; L243-I246 PolarHBondContact O-N 3.47Å; L243-L247 HydrophobicContact CB-CD1 4.32Å; L243-L247 WeakPolarHBondContact O-CB 3.29Å; L243-L247 VanDerWaalsContact O-CG 3.23Å; L243-L247 WeakPolarHBondContact O-CG 3.47Å; L243-L247 PolarHBondContact O-N 3.45Å
244D55.8Low54.9Low109 Ų109114 Ų11458%0.58365%0.648SS**Hα-helixtrans-62.8-42.3172.4-53.3-83.3000112.4T242 F248T242-D244 PolarHBondContact O-N 3.08Å; D244-F248 HydrophobicContact CB-CD2 4.45Å; D244-F248 VanDerWaalsContact O-CB 3.22Å; D244-F248 WeakPolarHBondContact O-CB 3.3Å; D244-F248 VanDerWaalsContact O-CD2 3.26Å; D244-F248 WeakPolarHBondContact O-CD2 3.46Å; D244-F248 PolarHBondContact O-N 2.89Å
245D57.6Low55.7Low104 Ų104117.1 Ų117.156%0.55666%0.655SS**Hα-helixtrans-68.8-38.6177.6-70.7-42.5000111.7T242 A249T242-D245 WeakPolarHBondContact CB-OD2 3.48Å; T242-D245 PolarHBondContact O-N 2.91Å; T242-D245 PolarHBondContact OG1-OD2 2.87Å; D245-A249 WeakPolarHBondContact O-CB 3.37Å; D245-A249 PolarHBondContact O-N 3.08Å; D245-A249 VanDerWaalsContact O-N 3.13Å
246I62.1Low56.1Low100 Ų100119.3 Ų119.351%0.51365%0.649SS.*Hα-helixtrans-79.3-29.1-178.5-66.7179.7000112.9L241 T242 L243L241-I246 HydrophobicContact CD2-CD1 3.52Å; L241-I246 HydrophobicContact CG-CD1 3.75Å; T242-I246 PolarHBondContact O-N 3.36Å; L243-I246 PolarHBondContact O-N 3.47Å
247L61.5Low55.6Low107 Ų107122.4 Ų122.456%0.5665%0.65SS**Hα-helixtrans-94.6-14.8-179.5-61.9173.2000113.6L243 I251L243-L247 HydrophobicContact CB-CD1 4.32Å; L243-L247 WeakPolarHBondContact O-CB 3.29Å; L243-L247 VanDerWaalsContact O-CG 3.23Å; L243-L247 WeakPolarHBondContact O-CG 3.47Å; L243-L247 PolarHBondContact O-N 3.45Å; L247-I251 WeakPolarHBondContact O-CD1 3.42Å
248F53.6Low55.6Low125 Ų125121.3 Ų121.355%0.54865%0.645SS.*Hα-helixtrans-123-12.3-176.5-58.4-109.4000115.1D244 D250 I251D244-F248 HydrophobicContact CB-CD2 4.45Å; D244-F248 VanDerWaalsContact O-CB 3.22Å; D244-F248 WeakPolarHBondContact O-CB 3.3Å; D244-F248 VanDerWaalsContact O-CD2 3.26Å; D244-F248 WeakPolarHBondContact O-CD2 3.46Å; D244-F248 PolarHBondContact O-N 2.89Å; F248-D250 PolarHBondContact O-N 3.06Å; F248-I251 HydrophobicContact CB-CD1 4.26Å; F248-I251 HydrophobicContact CD1-CD1 3.74Å; F248-I251 HydrophobicContact CE1-CD1 4.4Å; F248-I251 HydrophobicContact CG-CD1 4.11Å; F248-I251 PolarHBondContact O-N 3.47Å; F248-I251 VanDerWaalsContact O-N 3.13Å
249A62.1Low55.4Low80 Ų80120 Ų12066%0.66164%0.639SS**THydrogen-bonded Turntrans-63.6-28.8173.200000113.3D245 I251D245-A249 WeakPolarHBondContact O-CB 3.37Å; D245-A249 PolarHBondContact O-N 3.08Å; D245-A249 VanDerWaalsContact O-N 3.13Å; A249-I251 VanDerWaalsContact C-N 3.27Å; A249-I251 PolarHBondContact O-N 2.95Å
250D59.3Low55.4Low145 Ų145118.5 Ų118.578%0.77563%0.631SS**THydrogen-bonded Turntrans-82.3-0177.2-68.56.9000112.9F248 D252F248-D250 PolarHBondContact O-N 3.06Å; D250-D252 PolarHBondContact O-N 3.18Å
251I66.9Low55.1Low88 Ų88116.8 Ų116.845%0.45163%0.63SS.*  trans-94.497.4-177.7-58-178.9000109.8L247 F248 A249 T253L247-I251 WeakPolarHBondContact O-CD1 3.42Å; F248-I251 HydrophobicContact CB-CD1 4.26Å; F248-I251 HydrophobicContact CD1-CD1 3.74Å; F248-I251 HydrophobicContact CE1-CD1 4.4Å; F248-I251 HydrophobicContact CG-CD1 4.11Å; F248-I251 PolarHBondContact O-N 3.47Å; F248-I251 VanDerWaalsContact O-N 3.13Å; A249-I251 VanDerWaalsContact C-N 3.27Å; A249-I251 PolarHBondContact O-N 2.95Å; I251-T253 HydrophobicContact CG2-CG2 4.08Å; I251-T253 PolarHBondContact O-N 3.04Å
252D56.5Low54.5Low125 Ų125117.6 Ų117.667%0.66864%0.641SS**  trans-62.573175.1-82.5-51000113.2D250 S254 M255D250-D252 PolarHBondContact O-N 3.18Å; D252-S254 PolarHBondContact O-N 3.37Å; D252-M255 PolarHBondContact O-N 2.82Å
253T60.6Low54Low106 Ų106120.2 Ų120.265%0.6566%0.662SS**G310 helixtrans-66.9-13.8173.251.30000113.2I251 M255 Y256I251-T253 HydrophobicContact CG2-CG2 4.08Å; I251-T253 PolarHBondContact O-N 3.04Å; T253-M255 PolarHBondContact O-N 3.4Å; T253-Y256 PolarHBondContact O-N 2.75Å
254S60.7Low53.1Low88 Ų88121.2 Ų121.262%0.61568%0.676SS**G310 helixtrans-58-23.517357.10000114.1D252 Y256D252-S254 PolarHBondContact O-N 3.37Å; S254-Y256 VanDerWaalsContact C-N 3.34Å
255M56.7Low52.7Low157 Ų157121.9 Ų121.977%0.77369%0.69SS**G310 helixtrans-84.7-2.6175.2-77.8-64.3-55.800114.2D252 T253D252-M255 PolarHBondContact O-N 2.82Å; T253-M255 PolarHBondContact O-N 3.4Å
256Y52.5Low51.8Low182 Ų182120.2 Ų120.271%0.71470%0.697SS**G310 helixtrans-117.524.6179.7-90.5-83.2000113.4T253 S254 F258T253-Y256 PolarHBondContact O-N 2.75Å; S254-Y256 VanDerWaalsContact C-N 3.34Å; Y256-F258 HydrophobicContact CD1-CD2 4.42Å; Y256-F258 HydrophobicContact CD1-CE2 4.4Å; Y256-F258 PolarHBondContact O-N 2.96Å
257D44Very low50.6Low131 Ų131121.9 Ų121.970%0.70171%0.712SS**  trans-70.697.4166.8-168.310.8000110.4D259D257-D259 PolarHBondContact O-N 2.97Å; D257-D259 VanDerWaalsContact O-N 3.11Å
258F47.3Very low49.5Very low175 Ų175121.7 Ų121.777%0.76873%0.726SS**  trans-8652.2-179-114.1-84.6000111.2Y256 P260Y256-F258 HydrophobicContact CD1-CD2 4.42Å; Y256-F258 HydrophobicContact CD1-CE2 4.4Å; Y256-F258 PolarHBondContact O-N 2.96Å; F258-P260 WeakPolarHBondContact O-CD 3.21Å; F258-P260 WeakPolarHBondContact O-CG 3.46Å
259D43.8Very low48.7Very low116 Ų116121.3 Ų121.362%0.6274%0.739SS**  trans-66.3109.6-174.8-168.823.1000111.9D257 C261D257-D259 PolarHBondContact O-N 2.97Å; D257-D259 VanDerWaalsContact O-N 3.11Å; D259-C261 PolarHBondContact O-N 3.43Å
260P51.1Low47.9Very low107 Ų107126.6 Ų126.670%0.69575%0.747SS**  trans-85109.9-171.6-4.924.2000111.1F258F258-P260 WeakPolarHBondContact O-CD 3.21Å; F258-P260 WeakPolarHBondContact O-CG 3.46Å
261C45.3Very low47.3Very low121 Ų121128.5 Ų128.582%0.81875%0.753SS**  trans9875.6167.6-50.10000117.6D259D259-C261 PolarHBondContact O-N 3.43Å
262T35.5Very low46.6Very low141 Ų141127.6 Ų127.687%0.86576%0.759SS**  -124.3153129.962.50000110.5
263S44.7Very low46.2Very low126 Ų126127.9 Ų127.988%0.88177%0.767SS**  trans-135.3112.2-176.7179.50000110.6
264S38.6Very low46Very low112 Ų112128 Ų12878%0.78377%0.768SS**  trans-164.4117.1167.7176.40000112.9
265S46.3Very low45.9Very low124 Ų124127.3 Ų127.387%0.86776%0.763SS**  trans16.3124.4146.9-163.20000120.5
266G39.2Very low45.9Very low69 Ų69122.8 Ų122.871%0.71175%0.751SS**  trans-17077.5171.100000115.7
267T35.8Very low46.2Very low135 Ų135118.9 Ų118.983%0.82874%0.742SS**  trans26.6110.9161.254.90000119.9S269T267-S269 PolarHBondContact O-N 3.36Å
268A38.9Very low47Very low102 Ų102117.5 Ų117.584%0.84374%0.735SS**  trans-74.3119.516700000112.4K270A268-K270 PolarHBondContact O-N 2.97Å
269S37.8Very low47.9Very low118 Ų118114.2 Ų114.283%0.82573%0.725SS**  trans-70.590.6174.1-71.10000112T267 M271T267-S269 PolarHBondContact O-N 3.36Å; S269-M271 PolarHBondContact O-N 3.23Å
270K43.5Very low48.7Very low191 Ų191114.5 Ų114.583%0.8373%0.726SS**  trans-71.885177.5-174.5-175176.9-178.70111.5A268 A272A268-K270 PolarHBondContact O-N 2.97Å; K270-A272 PolarHBondContact O-N 3.29Å
271M48.6Very low49.1Very low184 Ų184117 Ų11791%0.90673%0.726SS**  trans-65.3115.1158.9-73.3-164.8-73.300108.6S269S269-M271 PolarHBondContact O-N 3.23Å
272A51.2Low49.6Very low70 Ų70116.3 Ų116.358%0.57972%0.718SS**PPolyproline II helixtrans-73.5147.6174.300000110.3K270 V274K270-A272 PolarHBondContact O-N 3.29Å; A272-V274 PolarHBondContact O-N 3.2Å
273P47.9Very low50.5Low130 Ų130116.5 Ų116.584%0.84471%0.713SS**PPolyproline II helixtrans-65.4119.817427.5-33.5000109.9S275P273-S275 PolarHBondContact O-N 3.17Å
274V57Low50.6Low109 Ų109113.3 Ų113.366%0.66169%0.694SS**PPolyproline II helixtrans-70.6123.5170.1176.30000108.1A272A272-V274 PolarHBondContact O-N 3.2Å
275S58.6Low51Low74 Ų74112.6 Ų112.652%0.51769%0.686SS.*PPolyproline II helixtrans-70.6143178.6-154.80000111P273 D277 D278P273-S275 PolarHBondContact O-N 3.17Å; S275-D277 WeakPolarHBondContact CB-OD2 3.41Å; S275-D277 PolarHBondContact O-N 3.34Å; S275-D277 VanDerWaalsContact O-N 3.12Å; S275-D277 PolarHBondContact OG-OD2 3.05Å; S275-D278 PolarHBondContact O-N 3.5Å
276A56.5Low51Low62 Ų62116.8 Ų116.851%0.51269%0.685SS.*Hα-helixtrans-61.1-24.5-176.100000113.3D278 L279 L280A276-D278 VanDerWaalsContact C-N 3.27Å; A276-D278 PolarHBondContact O-N 3.21Å; A276-L279 PolarHBondContact O-N 3.34Å; A276-L280 WeakPolarHBondContact O-CG 3.25Å; A276-L280 PolarHBondContact O-N 3.32Å
277D58.2Low51.6Low99 Ų99118.9 Ų118.953%0.52969%0.688SS.*Hα-helixtrans-59.9-33.7-179.4-44.2-92.1000113.3S275 L280 K281S275-D277 WeakPolarHBondContact CB-OD2 3.41Å; S275-D277 PolarHBondContact O-N 3.34Å; S275-D277 VanDerWaalsContact O-N 3.12Å; S275-D277 PolarHBondContact OG-OD2 3.05Å; D277-L280 PolarHBondContact O-N 2.77Å; D277-K281 WeakPolarHBondContact O-CG 3.48Å; D277-K281 PolarHBondContact O-N 3.29Å
278D60.4Low52.2Low102 Ų102117.5 Ų117.555%0.54568%0.684SS.*Hα-helixtrans-81.4-31.9-176-142.538.6000111.4S275 A276 K281 T282S275-D278 PolarHBondContact O-N 3.5Å; A276-D278 VanDerWaalsContact C-N 3.27Å; A276-D278 PolarHBondContact O-N 3.21Å; D278-K281 PolarHBondContact O-N 2.97Å; D278-T282 WeakPolarHBondContact O-CB 3.31Å; D278-T282 PolarHBondContact O-N 3.42Å; D278-T282 PolarHBondContact O-OG1 3.12Å
279L66Low52.3Low106 Ų106120.2 Ų120.256%0.55568%0.679SS**Hα-helixtrans-65.3-42.5168.2-60.1176.4000110.9A276 K281 T282 L283A276-L279 PolarHBondContact O-N 3.34Å; L279-K281 VanDerWaalsContact C-N 3.32Å; L279-K281 PolarHBondContact O-N 3.44Å; L279-T282 PolarHBondContact O-N 3.06Å; L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.46Å
280L62.5Low52.6Low123 Ų123120.9 Ų120.964%0.64468%0.681SS**Hα-helixtrans-63.3-35.2175.9-76.2164.3000112.6A276 D277A276-L280 WeakPolarHBondContact O-CG 3.25Å; A276-L280 PolarHBondContact O-N 3.32Å; D277-L280 PolarHBondContact O-N 2.77Å
281K58.8Low52.4Low159 Ų159118 Ų11869%0.69168%0.679SS**Hα-helixtrans-73.3-37.5173.2-76.9179.3177.9176.30113.4D277 D278 L279 L283 A284D277-K281 WeakPolarHBondContact O-CG 3.48Å; D277-K281 PolarHBondContact O-N 3.29Å; D278-K281 PolarHBondContact O-N 2.97Å; L279-K281 VanDerWaalsContact C-N 3.32Å; L279-K281 PolarHBondContact O-N 3.44Å; K281-L283 PolarHBondContact O-N 3.22Å; K281-A284 WeakPolarHBondContact O-CB 3.46Å; K281-A284 PolarHBondContact O-N 2.94Å
282T56.1Low52.1Low106 Ų106112.9 Ų112.965%0.6567%0.667SS**Hα-helixtrans-66.7-27-179.6-56.80000112.1D278 L279 A284D278-T282 WeakPolarHBondContact O-CB 3.31Å; D278-T282 PolarHBondContact O-N 3.42Å; D278-T282 PolarHBondContact O-OG1 3.12Å; L279-T282 PolarHBondContact O-N 3.06Å; T282-A284 VanDerWaalsContact C-N 3.26Å; T282-A284 PolarHBondContact O-N 3.29Å
283L53.6Low51.7Low146 Ų146115.9 Ų115.976%0.76468%0.68SS**THydrogen-bonded Turntrans-79.75.6175.3-68.7171000114.7L279 K281 P285L279-L283 WeakPolarHBondContact O-CG 3.49Å; L279-L283 PolarHBondContact O-N 3.46Å; K281-L283 PolarHBondContact O-N 3.22Å; L283-P285 WeakPolarHBondContact O-CD 3.37Å
284A47.7Very low51.6Low58 Ų58114.7 Ų114.748%0.47968%0.675SS.*  trans-104.625.5-169.300000119.4K281 T282K281-A284 WeakPolarHBondContact O-CB 3.46Å; K281-A284 PolarHBondContact O-N 2.94Å; T282-A284 VanDerWaalsContact C-N 3.26Å; T282-A284 PolarHBondContact O-N 3.29Å
285P47.4Very low51.5Low97 Ų97116.4 Ų116.463%0.6368%0.676SS**THydrogen-bonded Turntrans-69.4141.7159.131.3-29.8000109.8L283L283-P285 WeakPolarHBondContact O-CD 3.37Å
286Y46.3Very low51.2Low213 Ų213118 Ų11884%0.83568%0.684SS**THydrogen-bonded Turntrans80.222.5-177.7-66.7-84.2000119.4S288Y286-S288 VanDerWaalsContact C-N 3.3Å; Y286-S288 PolarHBondContact O-N 3.45Å
287S49.8Very low50.9Low112 Ų112125 Ų12578%0.78370%0.703SS**  trans-88.243.8165.1-173.60000113.8
288S49.8Very low50.9Low107 Ų107128.4 Ų128.475%0.74871%0.713SS**  trans-157.949.1-171.853.50000116.5Y286Y286-S288 VanDerWaalsContact C-N 3.3Å; Y286-S288 PolarHBondContact O-N 3.45Å
289Q41.2Very low51.1Low158 Ų158129.2 Ų129.274%0.73872%0.715SS**  trans-144.1123.3168.6-159.2166.2-7.700113V291Q289-V291 PolarHBondContact O-N 3.01Å
290P44Very low51.8Low132 Ų132128.1 Ų128.186%0.85771%0.71SS**  trans-80.8109.6179.931.1-32.7000111.2
291V38.9Very low52.7Low130 Ų130128.6 Ų128.679%0.78871%0.712SS**  trans-94.5143.4169.9178.60000109.4Q289Q289-V291 PolarHBondContact O-N 3.01Å
292A41.8Very low53.8Low78 Ų78125.8 Ų125.865%0.64571%0.709SS**  trans-63.6149.9-176.300000112.7S294A292-S294 VanDerWaalsContact C-N 3.32Å; A292-S294 PolarHBondContact O-N 3.45Å
293P43.3Very low55.3Low133 Ų133126.2 Ų126.286%0.86470%0.703SS**  trans-79.470-17133.3-37.6000113.5Q295P293-Q295 PolarHBondContact O-N 3.49Å
294S45.4Very low57.1Low104 Ų104122.9 Ų122.973%0.72769%0.686SS**  trans-76.5104.6161.754.40000109.6A292 P296A292-S294 VanDerWaalsContact C-N 3.32Å; A292-S294 PolarHBondContact O-N 3.45Å; S294-P296 VanDerWaalsContact O-CD 3.31Å; S294-P296 WeakPolarHBondContact O-CD 3.43Å
295Q54.2Low59Low146 Ų146124.7 Ų124.768%0.68269%0.688SS**  trans-34.3110.4-173.9-70.6-89.911.700116.1P293P293-Q295 PolarHBondContact O-N 3.49Å
296P53.5Low61.1Low107 Ų107125.2 Ų125.270%0.69568%0.682SS**  trans-94.8105.1157.232.9-22.7000109.5S294 K298S294-P296 VanDerWaalsContact O-CD 3.31Å; S294-P296 WeakPolarHBondContact O-CD 3.43Å; P296-K298 PolarHBondContact O-N 3.46Å; P296-K298 VanDerWaalsContact O-N 3.17Å
297F50.3Low63.2Low209 Ų209119 Ų11992%0.91766%0.662SS**  trans3662.8163.5-56.3-77.4000117.1M299F297-M299 VanDerWaalsContact C-N 3.28Å; F297-M299 PolarHBondContact O-N 3.35Å
298K58.3Low65.2Low170 Ų170118.6 Ų118.674%0.73965%0.649SS**  trans-67.996.2148-79.9-168.4171.5-169.20107.9P296 D300P296-K298 PolarHBondContact O-N 3.46Å; P296-K298 VanDerWaalsContact O-N 3.17Å; K298-D300 PolarHBondContact O-N 2.87Å; K298-D300 VanDerWaalsContact O-N 3.13Å
299M64.4Low67.1Low119 Ų119119.3 Ų119.359%0.58664%0.64SS**  trans-56.5112.4156.2177.5-178.368.600106.2F297 L301 L304F297-M299 VanDerWaalsContact C-N 3.28Å; F297-M299 PolarHBondContact O-N 3.35Å; M299-L301 PolarHBondContact O-N 2.92Å; M299-L304 HydrophobicContact CE-CD2 3.89Å; M299-L304 HydrophobicContact SD-CD1 4.26Å; M299-L304 HydrophobicContact SD-CD2 4.48Å
300D80.1Confident69.5Low84 Ų84116.4 Ų116.445%0.44963%0.633SS.*  trans-70.1133.6-178.3-159.6-56.3000108.4K298 T302 E303 L304K298-D300 PolarHBondContact O-N 2.87Å; K298-D300 VanDerWaalsContact O-N 3.13Å; D300-T302 PolarHBondContact O-N 3.2Å; D300-T302 WeakPolarHBondContact OD1-CB 3.34Å; D300-T302 PolarHBondContact OD1-N 3.22Å; D300-T302 PolarHBondContact OD1-OG1 3.36Å; D300-E303 HydrophobicContact CB-CB 3.99Å; D300-E303 WeakPolarHBondContact O-CB 3.41Å; D300-E303 PolarHBondContact O-N 3.07Å; D300-E303 VanDerWaalsContact O-N 3.08Å; D300-L304 PolarHBondContact O-N 2.91Å
301L82.9Confident71.5Confident132 Ų132116.9 Ų116.969%0.69163%0.628SS**Hα-helixtrans-64.7-25.6178.3-65.8174.8000110.9M299 L304 D305M299-L301 PolarHBondContact O-N 2.92Å; L301-L304 HydrophobicContact CD2-CD2 4.48Å; L301-D305 VanDerWaalsContact O-CB 3.29Å; L301-D305 WeakPolarHBondContact O-CB 3.31Å; L301-D305 PolarHBondContact O-N 2.95Å
302T80.4Confident73.7Confident101 Ų101116.4 Ų116.462%0.6263%0.625SS**Hα-helixtrans-74.5-31.3172.562.50000113.1D300 H306D300-T302 PolarHBondContact O-N 3.2Å; D300-T302 WeakPolarHBondContact OD1-CB 3.34Å; D300-T302 PolarHBondContact OD1-N 3.22Å; D300-T302 PolarHBondContact OD1-OG1 3.36Å; T302-H306 WeakPolarHBondContact O-CB 3.42Å; T302-H306 PolarHBondContact O-N 3.08Å; T302-H306 VanDerWaalsContact O-N 3.07Å
303E88.4Confident75.2Confident114 Ų114115 Ų11553%0.53362%0.618SS.*Hα-helixtrans-70.7-42.6172.2-177.8178-149.500110.4D300 H306 I307D300-E303 HydrophobicContact CB-CB 3.99Å; D300-E303 WeakPolarHBondContact O-CB 3.41Å; D300-E303 PolarHBondContact O-N 3.07Å; D300-E303 VanDerWaalsContact O-N 3.08Å; E303-H306 PolarHBondContact O-N 3.26Å; E303-I307 HydrophobicContact CG-CD1 3.97Å; E303-I307 WeakPolarHBondContact O-CB 3.38Å; E303-I307 WeakPolarHBondContact O-CD1 3.45Å; E303-I307 VanDerWaalsContact O-CG1 3.23Å; E303-I307 WeakPolarHBondContact O-CG1 3.45Å; E303-I307 PolarHBondContact O-N 2.86Å
304L90.2Very high75.7Confident77 Ų77117.9 Ų117.940%0.40364%0.641SS.*Hα-helixtrans-61.7-43.5174.4-179.765.2000112.3M299 D300 L301 I307 M308M299-L304 HydrophobicContact CE-CD2 3.89Å; M299-L304 HydrophobicContact SD-CD1 4.26Å; M299-L304 HydrophobicContact SD-CD2 4.48Å; D300-L304 PolarHBondContact O-N 2.91Å; L301-L304 HydrophobicContact CD2-CD2 4.48Å; L304-I307 PolarHBondContact O-N 3.04Å; L304-M308 WeakPolarHBondContact O-CB 3.23Å; L304-M308 PolarHBondContact O-N 3.17Å
305D88.4Confident77.3Confident95 Ų95118.6 Ų118.651%0.50864%0.637SS.*Hα-helixtrans-64.5-42.7178.5-160.847.3000111.1L301 M308 E309L301-D305 VanDerWaalsContact O-CB 3.29Å; L301-D305 WeakPolarHBondContact O-CB 3.31Å; L301-D305 PolarHBondContact O-N 2.95Å; D305-M308 WeakPolarHBondContact O-CB 3.45Å; D305-M308 PolarHBondContact O-N 3.35Å; D305-M308 VanDerWaalsContact OD1-CE 3.23Å; D305-M308 WeakPolarHBondContact OD1-CE 3.48Å; D305-E309 WeakPolarHBondContact O-CB 3.49Å; D305-E309 PolarHBondContact O-N 2.59Å
306H91.1Very high78.5Confident109 Ų109117.1 Ų117.151%0.50564%0.635SS.*Hα-helixtrans-65.8-39.1174.1-17652.5000113.1T302 E303 M308 E309 V310T302-H306 WeakPolarHBondContact O-CB 3.42Å; T302-H306 PolarHBondContact O-N 3.08Å; T302-H306 VanDerWaalsContact O-N 3.07Å; E303-H306 PolarHBondContact O-N 3.26Å; H306-M308 VanDerWaalsContact C-N 3.3Å; H306-M308 PolarHBondContact O-N 3.13Å; H306-E309 IonicContact ND1-OE1 2.74Å; H306-E309 PolarHBondContact O-N 3.32Å; H306-V310 WeakPolarHBondContact O-CG2 3.35Å; H306-V310 PolarHBondContact O-N 2.65Å
307I90.8Very high79.9Confident83 Ų83117.7 Ų117.743%0.42663%0.631SS.*Hα-helixtrans-61.6-40.5172.8-72.4164.9000110.5E303 L304 L311E303-I307 HydrophobicContact CG-CD1 3.97Å; E303-I307 WeakPolarHBondContact O-CB 3.38Å; E303-I307 WeakPolarHBondContact O-CD1 3.45Å; E303-I307 VanDerWaalsContact O-CG1 3.23Å; E303-I307 WeakPolarHBondContact O-CG1 3.45Å; E303-I307 PolarHBondContact O-N 2.86Å; L304-I307 PolarHBondContact O-N 3.04Å; I307-L311 HydrophobicContact CG2-CD1 3.83Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.41Å; I307-L311 PolarHBondContact O-N 2.98Å; I307-L311 VanDerWaalsContact O-N 3.07Å
308M91.4Very high81.6Confident103 Ų103112.3 Ų112.351%0.50761%0.614SS.*Hα-helixtrans-65.9-44.9175.8-176.9177.262.700111.8L304 D305 H306 V310 L311 V312L304-M308 WeakPolarHBondContact O-CB 3.23Å; L304-M308 PolarHBondContact O-N 3.17Å; D305-M308 WeakPolarHBondContact O-CB 3.45Å; D305-M308 PolarHBondContact O-N 3.35Å; D305-M308 VanDerWaalsContact OD1-CE 3.23Å; D305-M308 WeakPolarHBondContact OD1-CE 3.48Å; H306-M308 VanDerWaalsContact C-N 3.3Å; H306-M308 PolarHBondContact O-N 3.13Å; M308-V310 PolarHBondContact O-N 2.85Å; M308-L311 PolarHBondContact O-N 2.87Å; M308-V312 HydrophobicContact CG-CG2 4.17Å; M308-V312 WeakPolarHBondContact O-CB 3.23Å; M308-V312 VanDerWaalsContact O-CG2 3.31Å; M308-V312 WeakPolarHBondContact O-CG2 3.29Å; M308-V312 PolarHBondContact O-N 3.46Å
309E90.7Very high83.1Confident121 Ų121108.7 Ų108.757%0.56561%0.607SS**Hα-helixtrans-56.4-47.5176.1-173.5-175.885.100111.6D305 H306 L311 V312 G313D305-E309 WeakPolarHBondContact O-CB 3.49Å; D305-E309 PolarHBondContact O-N 2.59Å; H306-E309 IonicContact ND1-OE1 2.74Å; H306-E309 PolarHBondContact O-N 3.32Å; E309-L311 VanDerWaalsContact C-N 3.35Å; E309-L311 PolarHBondContact O-N 3.42Å; E309-V312 PolarHBondContact O-N 3.07Å; E309-G313 PolarHBondContact O-N 3.41Å
310V90Very high84.3Confident98 Ų98108 Ų10859%0.59461%0.608SS**Hα-helixtrans-66.3-33.2178.2171.70000112.7H306 M308H306-V310 WeakPolarHBondContact O-CG2 3.35Å; H306-V310 PolarHBondContact O-N 2.65Å; M308-V310 PolarHBondContact O-N 2.85Å
311L87.6Confident84.6Confident142 Ų142109.7 Ų109.774%0.74362%0.619SS**Hα-helixtrans-81.6-29.9179.1-74.2172.3000113.9I307 M308 E309I307-L311 HydrophobicContact CG2-CD1 3.83Å; I307-L311 WeakPolarHBondContact O-CB 3.49Å; I307-L311 VanDerWaalsContact O-CG 3.25Å; I307-L311 WeakPolarHBondContact O-CG 3.41Å; I307-L311 PolarHBondContact O-N 2.98Å; I307-L311 VanDerWaalsContact O-N 3.07Å; M308-L311 PolarHBondContact O-N 2.87Å; E309-L311 VanDerWaalsContact C-N 3.35Å; E309-L311 PolarHBondContact O-N 3.42Å
312V85.2Confident84.7Confident119 Ų119108 Ų10872%0.72161%0.614SS**Hα-helixtrans-80.2-37.7176.1172.50000110.9M308 E309M308-V312 HydrophobicContact CG-CG2 4.17Å; M308-V312 WeakPolarHBondContact O-CB 3.23Å; M308-V312 VanDerWaalsContact O-CG2 3.31Å; M308-V312 WeakPolarHBondContact O-CG2 3.29Å; M308-V312 PolarHBondContact O-N 3.46Å; E309-V312 PolarHBondContact O-N 3.07Å
313G72.3Confident85.1Confident49 Ų49108.6 Ų108.651%0.50561%0.613SS.*  trans83.9153175.400000114.6E309E309-G313 PolarHBondContact O-N 3.41Å
314S55.3Low84.8Confident193 Ų193108.1 Ų108.1100%1.3562%0.621SS**  trans-103.90168.4-60.80000111.2

Retrieved 314 of 314 residues in 93.2 ms (Link to these results)