A0A096LS95_POEFO Loading...

RAD51 associated protein 1

AlphaFold DB , UniProt , Accession A0A096LS95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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
1M52.1Low71.2Confident231 Ų231170.5 Ų170.5100%1.13886%0.856SS**  0940-68.3-52.1-178.800108.1
2D61.1Low71.7Confident164 Ų164166.7 Ų166.788%0.87784%0.84SS**PPolyproline II helixtrans-68.9137.5177.6-65.6-61000110.9
3R72.1Confident71.4Confident235 Ų235167.8 Ų167.889%0.88783%0.83SS**PPolyproline II helixtrans-87.2132.4-179.4-70.6-177.1175-175.3-1109.6S5R3-S5 PolarHBondContact O-N 2.99Å
4P68.9Low71.4Confident124 Ų124162.9 Ų162.981%0.80582%0.818SS**PPolyproline II helixtrans-58.8130.6177.1-25.434.5000112.4R6P4-R6 PolarHBondContact O-N 3.22Å
5S71.9Confident70.8Confident122 Ų122163.7 Ų163.785%0.85382%0.818SS**PPolyproline II helixtrans-62.5132.3174.4-1800000110.9R3R3-S5 PolarHBondContact O-N 2.99Å
6R76.1Confident70.3Confident229 Ų229160.4 Ų160.486%0.86480%0.804SS**  trans-90.9115.4175.1-63.2-174.8-168165.13109.6P4 T8P4-R6 PolarHBondContact O-N 3.22Å; R6-T8 PolarHBondContact O-N 2.73Å
7K74.6Confident69.7Low209 Ų209161.6 Ų161.691%0.90980%0.804SS**  trans-49.5107.7169.750-173.3175.3-175.70111.7
8T74.3Confident69Low132 Ų132161.3 Ų161.381%0.8181%0.805SS**PPolyproline II helixtrans-83.1136.3169.347.50000109.5R6R6-T8 PolarHBondContact O-N 2.73Å
9K78.2Confident68.3Low194 Ų194161.9 Ų161.984%0.84380%0.803SS**PPolyproline II helixtrans-96.5125168.6-74.6-85.8-172167.40107.1V11K9-V11 PolarHBondContact O-N 3.25Å
10V76.2Confident67.7Low145 Ų145161.3 Ų161.388%0.87980%0.803SS**PPolyproline II helixtrans-72120.1168.7177.80000107.4
11V77.6Confident67.3Low91 Ų91161.3 Ų161.355%0.55281%0.805SS**PPolyproline II helixtrans-92.1127.5173178.80000107.4K9 Y13K9-V11 PolarHBondContact O-N 3.25Å; V11-Y13 HydrophobicContact CB-CE2 4.02Å; V11-Y13 HydrophobicContact CG1-CD2 4.42Å; V11-Y13 HydrophobicContact CG1-CE1 4.13Å; V11-Y13 HydrophobicContact CG1-CE2 3.92Å; V11-Y13 WeakPolarHBondContact O-CD2 3.22Å
12N77.8Confident67.7Low124 Ų124153.5 Ų153.566%0.66379%0.785SS**PPolyproline II helixtrans-94.7128.7177.6-168.82.1000109.3C14N12-C14 PolarHBondContact OD1-N 2.77Å; N12-C14 PolarHBondContact OD1-SG 3.3Å
13Y67.6Low67.7Low181 Ų181152.3 Ų152.371%0.7178%0.783SS**  trans-105.318.3-173.9-68-85.3000113.1V11V11-Y13 HydrophobicContact CB-CE2 4.02Å; V11-Y13 HydrophobicContact CG1-CD2 4.42Å; V11-Y13 HydrophobicContact CG1-CE1 4.13Å; V11-Y13 HydrophobicContact CG1-CE2 3.92Å; V11-Y13 WeakPolarHBondContact O-CD2 3.22Å
14C71.2Confident67.2Low99 Ų99146.8 Ų146.867%0.66977%0.771SS**THydrogen-bonded Turntrans-84.60.1-176.3-69.70000115.6N12 N16N12-C14 PolarHBondContact OD1-N 2.77Å; N12-C14 PolarHBondContact OD1-SG 3.3Å; C14-N16 VanDerWaalsContact C-N 3.33Å; C14-N16 PolarHBondContact O-N 3.33Å
15E62.4Low66.9Low175 Ų175146.6 Ų146.682%0.81876%0.76SS**THydrogen-bonded Turntrans-79.6-7.2-177.7-69.6-177.3155.300114.3K17E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 3.39Å
16N62.1Low66.8Low111 Ų111148.2 Ų148.259%0.59476%0.759SS**THydrogen-bonded Turntrans-88.630.1-173.2-64.896.8000115.2C14C14-N16 VanDerWaalsContact C-N 3.33Å; C14-N16 PolarHBondContact O-N 3.33Å
17K60.1Low66.2Low182 Ų182145.6 Ų145.679%0.79175%0.754SS**THydrogen-bonded Turntrans-96.2-8.9179.7-84.5-168.1170.5-170.70115.8E15 F19E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 3.39Å; K17-F19 VanDerWaalsContact C-N 3.34Å; K17-F19 PolarHBondContact O-N 2.75Å
18D58.5Low65.8Low155 Ų155138.4 Ų138.483%0.82973%0.734SS**  trans-98.232.6-179.6-59.6-24000112.8
19F54.2Low64.8Low173 Ų173136.8 Ų136.876%0.75973%0.727SS**  trans-111.734.5172-72.3-76.7000111.7K17K17-F19 VanDerWaalsContact C-N 3.34Å; K17-F19 PolarHBondContact O-N 2.75Å
20D57Low64Low150 Ų150132 Ų13280%0.80272%0.717SS**  trans-93.7136.8174.5-149.26.4000110
21D59Low63.5Low161 Ų161134.6 Ų134.686%0.86172%0.717SS**SBendtrans59.573.5162.3-147.447.1000118.7
22G60.4Low63Low68 Ų68134.1 Ų134.170%0.70172%0.723SS**SBendtrans178.8-12.3165.300000121.7
23T61.4Low62.4Low138 Ų138133.7 Ų133.785%0.84773%0.726SS**SBendtrans-121.713.4-170.147.40000115.8
24D62Low62.3Low120 Ų120131 Ų13164%0.64273%0.731SS**  trans-86.5-28.4176-179.7-78.5000113.3D26 F27D24-D26 PolarHBondContact O-N 2.96Å; D24-F27 PolarHBondContact O-N 3.37Å
25E62Low61.9Low120 Ų120131.5 Ų131.556%0.56174%0.736SS**Hα-helixtrans-55.3-21.4-167.9-82.4-74.9173.800116.2F27 A28 C29E25-F27 PolarHBondContact O-N 3.44Å; E25-A28 PolarHBondContact O-N 3.18Å; E25-A28 VanDerWaalsContact O-N 3.16Å; E25-C29 WeakPolarHBondContact O-CB 3.31Å; E25-C29 PolarHBondContact O-N 2.96Å
26D70.4Confident62.4Low155 Ų155133 Ų13383%0.82974%0.739SS**Hα-helixtrans-60.9-23.8174.1-81.6-25.8000113D24D24-D26 PolarHBondContact O-N 2.96Å
27F62.4Low62.6Low174 Ų174137.1 Ų137.176%0.76375%0.752SS**Hα-helixtrans-91.7-33.1171.9-71.2-82.8000113D24 E25 S30D24-F27 PolarHBondContact O-N 3.37Å; E25-F27 PolarHBondContact O-N 3.44Å; F27-S30 PolarHBondContact O-N 3.3Å; F27-S30 PolarHBondContact O-OG 3.22Å
28A66.4Low62.6Low59 Ų59133.1 Ų133.149%0.48875%0.753SS.*Hα-helixtrans-70.6-29.8179.900000113.1E25 S30E25-A28 PolarHBondContact O-N 3.18Å; E25-A28 VanDerWaalsContact O-N 3.16Å; A28-S30 PolarHBondContact O-N 3.43Å
29C53.7Low62Low98 Ų98137.1 Ų137.166%0.66276%0.757SS**THydrogen-bonded Turntrans-71.18.9176.8-79.50000115.2E25 K31E25-C29 WeakPolarHBondContact O-CB 3.31Å; E25-C29 PolarHBondContact O-N 2.96Å; C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 3.38Å
30S60.8Low61.6Low92 Ų92136.6 Ų136.664%0.64376%0.757SS**SBendtrans-67.888.4169.353.40000111.2F27 A28 A32F27-S30 PolarHBondContact O-N 3.3Å; F27-S30 PolarHBondContact O-OG 3.22Å; A28-S30 PolarHBondContact O-N 3.43Å; S30-A32 PolarHBondContact O-N 3.49Å
31K65.5Low61.1Low200 Ų200138.7 Ų138.787%0.8776%0.762SS**  trans-36.6108.3176.1-169.484.9170-169.20110.8C29C29-K31 VanDerWaalsContact C-N 3.34Å; C29-K31 PolarHBondContact O-N 3.38Å
32A67.1Low60.1Low82 Ų82135.9 Ų135.968%0.67875%0.75SS**PPolyproline II helixtrans-49.1130.9-173.700000110.9S30S30-A32 PolarHBondContact O-N 3.49Å
33P66.1Low59.4Low114 Ų114142.6 Ų142.674%0.7476%0.76SS**PPolyproline II helixtrans-56.7138.7-173.621.6-32.8000110S35P33-S35 PolarHBondContact O-N 3.12Å
34P65.8Low58.2Low124 Ų124144.7 Ų144.781%0.80576%0.76SS**PPolyproline II helixtrans-55119.2-167.820.2-32.7000110.7K36P34-K36 PolarHBondContact O-N 3.16Å; P34-K36 VanDerWaalsContact O-N 3.11Å
35S63.2Low57Low110 Ų110147.2 Ų147.277%0.76977%0.768SS**PPolyproline II helixtrans-57.1120.1-177.454.10000109.5P33 K37P33-S35 PolarHBondContact O-N 3.12Å; S35-K37 PolarHBondContact O-N 2.94Å
36K71.9Confident56.1Low206 Ų206150.3 Ų150.390%0.89678%0.783SS**PPolyproline II helixtrans-56.7116.4-178.2-71.8176.2179.4170.50108.7P34 A38P34-K36 PolarHBondContact O-N 3.16Å; P34-K36 VanDerWaalsContact O-N 3.11Å; K36-A38 PolarHBondContact O-N 2.91Å
37K67.3Low54.6Low198 Ų198152.4 Ų152.486%0.86178%0.784SS**PPolyproline II helixtrans-56.2131.5170.9-66.3-75.9-174.5171.20108.2S35 R39S35-K37 PolarHBondContact O-N 2.94Å; K37-R39 PolarHBondContact O-N 3.03Å
38A58.9Low53.8Low99 Ų99153.5 Ų153.582%0.81879%0.789SS**PPolyproline II helixtrans-60.2134.3166.500000108.6K36 E40K36-A38 PolarHBondContact O-N 2.91Å; A38-E40 PolarHBondContact O-N 3.06Å
39R47Very low53Low239 Ų239156.4 Ų156.490%0.90280%0.802SS**  trans-77.3111.1177.9-176178.6-176.4178.10.2108.4K37K37-R39 PolarHBondContact O-N 3.03Å
40E44.8Very low52.5Low162 Ų162157.8 Ų157.876%0.75781%0.811SS**  trans-68.3128.5169.8-170.9174.1163.800109.5A38 T42A38-E40 PolarHBondContact O-N 3.06Å; E40-T42 PolarHBondContact O-N 3.11Å
41E46.3Very low51.9Low193 Ų193159.9 Ų159.990%0.90282%0.819SS**  trans-77.998.2177.7-69.1-175.8-167.100110.2
42T39.5Very low50.7Low102 Ų102161.9 Ų161.963%0.62682%0.821SS**  trans-109.5112.9170.338.80000110.4E40 H44E40-T42 PolarHBondContact O-N 3.11Å; T42-H44 PolarHBondContact O-N 3.33Å
43K44Very low49.5Very low209 Ų209163.4 Ų163.491%0.90983%0.827SS**  trans-54.6132.7166-74.8-178.8174.2-179.20108.9
44H37.6Very low48.3Very low182 Ų182163 Ų16384%0.84383%0.827SS**  trans-127.5129163.7-107.7-79.1000111.8T42T42-H44 PolarHBondContact O-N 3.33Å
45E37.2Very low46.9Very low174 Ų174162.4 Ų162.481%0.81383%0.826SS**  trans-80.8150-174.7-163.7-176.713300111.3K47E45-K47 PolarHBondContact O-N 3.2Å
46Q41.4Very low45.9Very low185 Ų185166.2 Ų166.286%0.86483%0.831SS**  trans-70.5125.6-173.9-62.6-179.5-8.100113
47K40.6Very low44.2Very low198 Ų198166 Ų16686%0.86183%0.833SS**  trans-140146.8152.9-69.2-163.9177.8178.20112.2E45E45-K47 PolarHBondContact O-N 3.2Å
48K45.3Very low43Very low198 Ų198161.1 Ų161.186%0.86182%0.824SS**PPolyproline II helixtrans-75.8149.6-166.5-55.2175.6-179-179.90113.2
49P50Low41.9Very low119 Ų119164 Ų16477%0.77383%0.826SS**PPolyproline II helixtrans-87.2147.216834.9-33000112.5
50P43.2Very low41.9Very low128 Ų128158.2 Ų158.283%0.83182%0.819SS**PPolyproline II helixtrans-85.2146.5168.133.8-32.5000112.3
51V46.6Very low41.8Very low136 Ų136157.4 Ų157.482%0.82483%0.825SS**PPolyproline II helixtrans-76.6139.8179.61750000111.7
52R40.8Very low41.4Very low242 Ų242152.3 Ų152.391%0.91382%0.817SS**  trans-154.3141.5147.4-109168.4-165.3-171.53.1111.9
53S42.8Very low41.4Very low114 Ų114151.5 Ų151.580%0.79782%0.82SS**  trans-64.8174.9-177.2-27.60000113.1
54S39.2Very low41.8Very low106 Ų106151.6 Ų151.674%0.74182%0.824SS**  cis-162.7160.215.9-178.20000111.4
55S38.3Very low42.3Very low111 Ų111147.2 Ų147.278%0.77681%0.813SS**  trans121.9138.9141.5-630000116.2
56Q40.7Very low42.9Very low190 Ų190146 Ų14689%0.88881%0.812SS**  trans-94.8139-158.8-59.3158.5-87.200111.7
57E35.7Very low44Very low201 Ų201147 Ų14794%0.93981%0.814SS**  -143.3135.7128.9-167.8151.896.700107.9
58S43.7Very low45.4Very low95 Ų95142.4 Ų142.466%0.66481%0.807SS**  trans-115108.2-162.353.80000112.8
59N34.5Very low47.1Very low161 Ų161143.6 Ų143.686%0.86181%0.806SS**  -164.7127.7116.5-102.7-40.4000111.9
60P48.4Very low48.9Very low116 Ų116141.4 Ų141.475%0.75378%0.784SS**  trans-111.7121.2-17637.1-27.4000114.1
61T41.7Very low51.2Low145 Ų145139 Ų13989%0.8977%0.769SS**  trans-142.3142.2149.951.70000108.8
62A38.8Very low53.5Low87 Ų87138.3 Ų138.372%0.71976%0.76SS**  cis-150.5146.6-29.500000107.3
63A39.5Very low56.1Low85 Ų85132.4 Ų132.470%0.70275%0.746SS**  trans56.3130.6171.400000118.4S65A63-S65 PolarHBondContact O-N 3.46Å
64Q52.5Low58.6Low211 Ų211130.8 Ų130.899%0.98673%0.726SS**  trans-69.869.6147.1-63.9179.5-5700108.5
65S47.9Very low61.3Low89 Ų89129.8 Ų129.862%0.62271%0.708SS**  trans-77.9156.8172.752.70000110.3A63A63-S65 PolarHBondContact O-N 3.46Å
66D48.5Very low64.1Low148 Ų148127.8 Ų127.879%0.79169%0.689SS**  trans-53.7146.3-179.8-68.4-77.8000111.9S68D66-S68 PolarHBondContact O-N 2.97Å
67K64.8Low66.8Low208 Ų208126.5 Ų126.590%0.90468%0.677SS**  trans-73.560.6177.4-65.3151.9-175.4166.40110.1R69K67-R69 PolarHBondContact O-N 3.16Å
68S70.5Confident69.7Low101 Ų101120.6 Ų120.671%0.70665%0.649SS**  trans-55.3129.716558.30000107D66 K70D66-S68 PolarHBondContact O-N 2.97Å; S68-K70 PolarHBondContact O-N 3.47Å
69R80.8Confident72.2Confident223 Ų223121.5 Ų121.584%0.84264%0.638SS**  trans-73.6113.3173.8-68.5178.5178.8130.7-0.5105.6K67K67-R69 PolarHBondContact O-N 3.16Å
70K87.1Confident75.3Confident72 Ų72118.2 Ų118.231%0.31362%0.621SS.*  trans-41.2133.7164.1-67.9-177.2167.8-149.60109.1S68 E74 K75 E78S68-K70 PolarHBondContact O-N 3.47Å; K70-E74 HydrophobicContact CB-CB 4.42Å; K70-E74 WeakPolarHBondContact CB-OE2 3.43Å; K70-E74 VanDerWaalsContact CD-CD 3.5Å; K70-E74 HydrophobicContact CD-CG 4.23Å; K70-E74 WeakPolarHBondContact CD-OE1 3.47Å; K70-E74 WeakPolarHBondContact CE-OE1 3.43Å; K70-E74 WeakPolarHBondContact CG-OE2 3.39Å; K70-E74 IonicContact NZ-OE1 2.82Å; K70-E74 PolarHBondContact NZ-OE1 2.61Å; K70-K75 HydrophobicContact CB-CG 4.13Å; K70-K75 WeakPolarHBondContact O-CE 3.21Å; K70-K75 PolarHBondContact O-NZ 2.85Å; K70-E78 IonicContact NZ-OE1 2.76Å; K70-E78 PolarHBondContact NZ-OE1 2.76Å; K70-E78 IonicContact NZ-OE2 2.81Å; K70-E78 PolarHBondContact NZ-OE2 2.86Å
71P92.8Very high77.6Confident79 Ų79116.5 Ų116.551%0.51360%0.604SS.*  trans-55.9161.9177.224.7-34000110.7D73 E74 K75P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 3.04Å; P71-E74 WeakPolarHBondContact CD-OE2 3.46Å; P71-E74 HydrophobicContact CG-CB 4Å; P71-E74 PolarHBondContact O-N 3.02Å; P71-K75 PolarHBondContact O-N 3.47Å
72L94.8Very high80.2Confident121 Ų121115.3 Ų115.363%0.63459%0.589SS**Hα-helixtrans-60.1-40.9-174.9-177.659.4000111.3E74 K75 L76L72-E74 PolarHBondContact O-N 3.4Å; L72-K75 CarbonylContact O-C 3.55Å; L72-K75 WeakPolarHBondContact O-CB 3.46Å; L72-K75 PolarHBondContact O-N 3.27Å; L72-K75 VanDerWaalsContact O-N 3.11Å; L72-L76 HydrophobicContact CG-CD1 4.4Å; L72-L76 HydrophobicContact CG-CG 4.44Å; L72-L76 WeakPolarHBondContact O-CG 2.98Å; L72-L76 PolarHBondContact O-N 2.96Å
73D95.4Very high83Confident117 Ų117113.4 Ų113.463%0.62657%0.573SS**Hα-helixtrans-66.4-38.7-175.3-50.4-37.9000112.4P71 K75 L76 Y77P71-D73 VanDerWaalsContact C-N 3.26Å; P71-D73 PolarHBondContact O-N 3.04Å; D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 3.17Å; D73-L76 WeakPolarHBondContact O-CB 3.47Å; D73-L76 PolarHBondContact O-N 3.35Å; D73-L76 VanDerWaalsContact O-N 3.11Å; D73-Y77 WeakPolarHBondContact O-CB 3.47Å; D73-Y77 PolarHBondContact O-N 2.72Å
74E95.5Very high85.8Confident80 Ų80112 Ų11237%0.37456%0.562SS.*Hα-helixtrans-62.3-37.1173.7-167.2-169.2158.300111.3K70 P71 L72 Y77 E78K70-E74 HydrophobicContact CB-CB 4.42Å; K70-E74 WeakPolarHBondContact CB-OE2 3.43Å; K70-E74 VanDerWaalsContact CD-CD 3.5Å; K70-E74 HydrophobicContact CD-CG 4.23Å; K70-E74 WeakPolarHBondContact CD-OE1 3.47Å; K70-E74 WeakPolarHBondContact CE-OE1 3.43Å; K70-E74 WeakPolarHBondContact CG-OE2 3.39Å; K70-E74 IonicContact NZ-OE1 2.82Å; K70-E74 PolarHBondContact NZ-OE1 2.61Å; P71-E74 WeakPolarHBondContact CD-OE2 3.46Å; P71-E74 HydrophobicContact CG-CB 4Å; P71-E74 PolarHBondContact O-N 3.02Å; L72-E74 PolarHBondContact O-N 3.4Å; E74-Y77 PolarHBondContact O-N 3Å; E74-E78 VanDerWaalsContact O-CB 3.23Å; E74-E78 WeakPolarHBondContact O-CB 3.41Å; E74-E78 PolarHBondContact O-N 2.93Å
75K95.4Very high87.9Confident85 Ų85106.5 Ų106.537%0.3754%0.538SS..Hα-helixtrans-75.8-22.2174.8-65.1173.3178.7154.10113.9K70 P71 L72 D73 R79K70-K75 HydrophobicContact CB-CG 4.13Å; K70-K75 WeakPolarHBondContact O-CE 3.21Å; K70-K75 PolarHBondContact O-NZ 2.85Å; P71-K75 PolarHBondContact O-N 3.47Å; L72-K75 CarbonylContact O-C 3.55Å; L72-K75 WeakPolarHBondContact O-CB 3.46Å; L72-K75 PolarHBondContact O-N 3.27Å; L72-K75 VanDerWaalsContact O-N 3.11Å; D73-K75 VanDerWaalsContact C-N 3.28Å; D73-K75 PolarHBondContact O-N 3.17Å; K75-R79 PolarHBondContact O-NH2 2.87Å
76L96.7Very high90.2Very high70 Ų70105.9 Ų105.937%0.36653%0.53SS..Hα-helixtrans-71.4-53.2169.3-67.6173.8000108.4L72 D73 E78 R79 D80L72-L76 HydrophobicContact CG-CD1 4.4Å; L72-L76 HydrophobicContact CG-CG 4.44Å; L72-L76 WeakPolarHBondContact O-CG 2.98Å; L72-L76 PolarHBondContact O-N 2.96Å; D73-L76 WeakPolarHBondContact O-CB 3.47Å; D73-L76 PolarHBondContact O-N 3.35Å; D73-L76 VanDerWaalsContact O-N 3.11Å; L76-E78 PolarHBondContact O-N 3.46Å; L76-R79 PolarHBondContact O-N 3.21Å; L76-D80 WeakPolarHBondContact O-CB 3.42Å; L76-D80 PolarHBondContact O-N 3.45Å
77Y97.1Very high92.5Very high163 Ų163104.5 Ų104.564%0.63952%0.522SS*.Hα-helixtrans-55.7-48177.9-179.6-101.4000113.4D73 E74 R79 D80 L81D73-Y77 WeakPolarHBondContact O-CB 3.47Å; D73-Y77 PolarHBondContact O-N 2.72Å; E74-Y77 PolarHBondContact O-N 3Å; Y77-R79 PolarHBondContact O-N 3.2Å; Y77-D80 PolarHBondContact O-N 3.41Å; Y77-L81 HydrophobicContact CE1-CD2 4.27Å; Y77-L81 VanDerWaalsContact O-CB 3.22Å; Y77-L81 WeakPolarHBondContact O-CB 3.17Å; Y77-L81 PolarHBondContact O-N 2.88Å
78E97.1Very high93.8Very high76 Ų7697.8 Ų97.836%0.35550%0.502SS..Hα-helixtrans-60.6-44-179.6-171.7164-136.500111.9K70 E74 L76 E82K70-E78 IonicContact NZ-OE1 2.76Å; K70-E78 PolarHBondContact NZ-OE1 2.76Å; K70-E78 IonicContact NZ-OE2 2.81Å; K70-E78 PolarHBondContact NZ-OE2 2.86Å; E74-E78 VanDerWaalsContact O-CB 3.23Å; E74-E78 WeakPolarHBondContact O-CB 3.41Å; E74-E78 PolarHBondContact O-N 2.93Å; L76-E78 PolarHBondContact O-N 3.46Å; E78-E82 WeakPolarHBondContact O-CG 3.4Å; E78-E82 PolarHBondContact O-N 3.33Å
79R97.5Very high94.9Very high114 Ų11498.4 Ų98.443%0.4350%0.496SS..Hα-helixtrans-67.4-43.2175.8-172-151.1-47.793.218.8112.4K75 L76 Y77 L81 E82 A83K75-R79 PolarHBondContact O-NH2 2.87Å; L76-R79 PolarHBondContact O-N 3.21Å; Y77-R79 PolarHBondContact O-N 3.2Å; R79-L81 VanDerWaalsContact C-N 3.28Å; R79-L81 PolarHBondContact O-N 3.11Å; R79-E82 PolarHBondContact O-N 2.92Å; R79-A83 WeakPolarHBondContact O-CB 3.23Å; R79-A83 PolarHBondContact O-N 3.48Å
80D97.8Very high95.3Very high93 Ų9392 Ų9250%0.49748%0.478SS..Hα-helixtrans-72.1-30.7-174.4-64.33.6000110L76 Y77 A84L76-D80 WeakPolarHBondContact O-CB 3.42Å; L76-D80 PolarHBondContact O-N 3.45Å; Y77-D80 PolarHBondContact O-N 3.41Å; D80-A84 WeakPolarHBondContact O-CB 3.49Å; D80-A84 PolarHBondContact O-N 3.01Å
81L97.9Very high95Very high79 Ų7994.2 Ų94.241%0.41449%0.494SS..Hα-helixtrans-64.5-49.5167.3178.962000112.1Y77 R79 A83 A84 I85Y77-L81 HydrophobicContact CE1-CD2 4.27Å; Y77-L81 VanDerWaalsContact O-CB 3.22Å; Y77-L81 WeakPolarHBondContact O-CB 3.17Å; Y77-L81 PolarHBondContact O-N 2.88Å; R79-L81 VanDerWaalsContact C-N 3.28Å; R79-L81 PolarHBondContact O-N 3.11Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.37Å; L81-A84 PolarHBondContact O-N 3.38Å; L81-I85 HydrophobicContact CD1-CD1 4.09Å; L81-I85 HydrophobicContact CD1-CG1 4.44Å; L81-I85 HydrophobicContact CG-CD1 4.07Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 3.42Å
82E96.9Very high94Very high121 Ų12196.4 Ų96.457%0.56550%0.501SS*.Hα-helixtrans-57.6-41.3174.5-75.9174.3-173.100112E78 R79 T86E78-E82 WeakPolarHBondContact O-CG 3.4Å; E78-E82 PolarHBondContact O-N 3.33Å; R79-E82 PolarHBondContact O-N 2.92Å; E82-T86 WeakPolarHBondContact O-CB 3.35Å; E82-T86 PolarHBondContact O-N 3.47Å; E82-T86 PolarHBondContact O-OG1 3.39Å
83A97.4Very high92.5Very high47 Ų4793.4 Ų93.439%0.38849%0.49SS..Hα-helixtrans-65.6-44.1176.300000111.9R79 L81 T86 L87R79-A83 WeakPolarHBondContact O-CB 3.23Å; R79-A83 PolarHBondContact O-N 3.48Å; L81-A83 VanDerWaalsContact C-N 3.29Å; L81-A83 PolarHBondContact O-N 3.37Å; A83-T86 PolarHBondContact O-N 3.11Å; A83-L87 WeakPolarHBondContact O-CB 3.35Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 2.79Å
84A97.4Very high90.6Very high56 Ų5693.2 Ų93.246%0.46349%0.489SS..Hα-helixtrans-63.3-42.1177.300000112.5D80 L81 L87 S88D80-A84 WeakPolarHBondContact O-CB 3.49Å; D80-A84 PolarHBondContact O-N 3.01Å; L81-A84 PolarHBondContact O-N 3.38Å; A84-L87 PolarHBondContact O-N 3.1Å; A84-S88 WeakPolarHBondContact O-CB 3.33Å; A84-S88 PolarHBondContact O-N 3.05Å
85I97.1Very high88.7Confident94 Ų9492.9 Ų92.948%0.48251%0.508SS..Hα-helixtrans-61.4-45.6174.1-68165.2000110.2L81 S88 L89L81-I85 HydrophobicContact CD1-CD1 4.09Å; L81-I85 HydrophobicContact CD1-CG1 4.44Å; L81-I85 HydrophobicContact CG-CD1 4.07Å; L81-I85 WeakPolarHBondContact O-CG1 3.47Å; L81-I85 PolarHBondContact O-N 3.42Å; I85-S88 WeakPolarHBondContact O-CB 3.4Å; I85-S88 PolarHBondContact O-N 2.99Å; I85-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 WeakPolarHBondContact O-CG 3.27Å; I85-L89 PolarHBondContact O-N 2.82Å
86T96.1Very high86.6Confident76 Ų7696.1 Ų96.147%0.46653%0.528SS..Hα-helixtrans-63.1-43.8179.1-56.20000111.8E82 A83 L89 L90E82-T86 WeakPolarHBondContact O-CB 3.35Å; E82-T86 PolarHBondContact O-N 3.47Å; E82-T86 PolarHBondContact O-OG1 3.39Å; A83-T86 PolarHBondContact O-N 3.11Å; T86-L89 PolarHBondContact O-N 2.87Å; T86-L90 HydrophobicContact CG2-CD1 4.33Å; T86-L90 WeakPolarHBondContact O-CD1 3.22Å; T86-L90 PolarHBondContact O-N 3.11Å
87L95.9Very high84.2Confident119 Ų11998.9 Ų98.962%0.62354%0.543SS*.Hα-helixtrans-65.9-36.9176.5-73.1173.6000112.4A83 A84 L90 N91A83-L87 WeakPolarHBondContact O-CB 3.35Å; A83-L87 WeakPolarHBondContact O-CG 3.36Å; A83-L87 PolarHBondContact O-N 2.79Å; A84-L87 PolarHBondContact O-N 3.1Å; L87-L90 PolarHBondContact O-N 2.98Å; L87-N91 VanDerWaalsContact O-CB 3.25Å; L87-N91 WeakPolarHBondContact O-CB 3.45Å; L87-N91 PolarHBondContact O-N 2.76Å
88S93.6Very high81.7Confident67 Ų6799.2 Ų99.247%0.46956%0.556SS.*Hα-helixtrans-61.3-45.8173.6-175.60000111.3A84 I85 L90 N91 N92A84-S88 WeakPolarHBondContact O-CB 3.33Å; A84-S88 PolarHBondContact O-N 3.05Å; I85-S88 WeakPolarHBondContact O-CB 3.4Å; I85-S88 PolarHBondContact O-N 2.99Å; S88-L90 PolarHBondContact O-N 3.32Å; S88-N91 PolarHBondContact O-N 3.42Å; S88-N92 VanDerWaalsContact O-CG 3.27Å; S88-N92 PolarHBondContact O-N 2.87Å; S88-N92 PolarHBondContact O-ND2 2.81Å
89L93.2Very high78.9Confident114 Ų114100.3 Ų100.360%0.59757%0.572SS**Hα-helixtrans-60.4-42.9175.5-69.6168.7000112.4I85 T86I85-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 WeakPolarHBondContact O-CG 3.27Å; I85-L89 PolarHBondContact O-N 2.82Å; T86-L89 PolarHBondContact O-N 2.87Å
90L87.8Confident76.4Confident88 Ų88100.9 Ų100.946%0.46159%0.591SS.*Hα-helixtrans-69.1-44.4178.3-95.762.7000112.5T86 L87 S88 N92 S93 D94T86-L90 HydrophobicContact CG2-CD1 4.33Å; T86-L90 WeakPolarHBondContact O-CD1 3.22Å; T86-L90 PolarHBondContact O-N 3.11Å; L87-L90 PolarHBondContact O-N 2.98Å; S88-L90 PolarHBondContact O-N 3.32Å; L90-N92 PolarHBondContact O-N 3.03Å; L90-S93 CarbonylContact O-C 3.6Å; L90-S93 WeakPolarHBondContact O-CA 3.49Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 3.49Å; L90-S93 PolarHBondContact O-OG 2.95Å; L90-D94 PolarHBondContact O-N 3.32Å
91N81.9Confident73.6Confident120 Ų120102.5 Ų102.564%0.64260%0.604SS**Hα-helixtrans-60.8-33179.9-175.182.1000112.5L87 S88 S93L87-N91 VanDerWaalsContact O-CB 3.25Å; L87-N91 WeakPolarHBondContact O-CB 3.45Å; L87-N91 PolarHBondContact O-N 2.76Å; S88-N91 PolarHBondContact O-N 3.42Å; N91-S93 PolarHBondContact O-N 2.76Å
92N71.5Confident70.9Confident124 Ų124103.8 Ų103.866%0.66362%0.62SS**Hα-helixtrans-72.8-14173.1-66.1-32.7000113.5S88 L90S88-N92 VanDerWaalsContact O-CG 3.27Å; S88-N92 PolarHBondContact O-N 2.87Å; S88-N92 PolarHBondContact O-ND2 2.81Å; L90-N92 PolarHBondContact O-N 3.03Å
93S63Low68.5Low58 Ų58108.3 Ų108.341%0.40664%0.638SS.*Hα-helixtrans-101.2-30.6178.272.60000114L90 N91 G95 L96 N97L90-S93 CarbonylContact O-C 3.6Å; L90-S93 WeakPolarHBondContact O-CA 3.49Å; L90-S93 WeakPolarHBondContact O-CB 3.36Å; L90-S93 PolarHBondContact O-N 3.49Å; L90-S93 PolarHBondContact O-OG 2.95Å; N91-S93 PolarHBondContact O-N 2.76Å; S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact O-N 3.39Å; S93-L96 PolarHBondContact O-N 3.39Å; S93-N97 PolarHBondContact O-ND2 3.06Å
94D55.6Low65.7Low113 Ų113110.4 Ų110.460%0.60466%0.655SS**Hα-helixtrans-74.4-14.8-178.4-75.9-40.1000113.6L90 L96L90-D94 PolarHBondContact O-N 3.32Å; D94-L96 PolarHBondContact O-N 2.8Å
95G55.4Low62.8Low74 Ų74115.5 Ų115.576%0.76367%0.674SS**THydrogen-bonded Turntrans-72.2-417400000115.9S93S93-G95 VanDerWaalsContact C-N 3.27Å; S93-G95 PolarHBondContact O-N 3.39Å
96L51.9Low60.6Low152 Ų152116.9 Ų116.980%0.79669%0.687SS**THydrogen-bonded Turntrans-126.738.9-172.5-161.777.7000113.5S93 D94S93-L96 PolarHBondContact O-N 3.39Å; D94-L96 PolarHBondContact O-N 2.8Å
97N46.2Very low57.9Low129 Ų129122 Ų12269%0.6970%0.703SS**SBendtrans-123.718.3-179.2-72.9-66.8000115.6S93S93-N97 PolarHBondContact O-ND2 3.06Å
98D43.8Very low55.6Low170 Ų170122.5 Ų122.591%0.90971%0.71SS**SBendtrans-133.252.3169.7-152.913.4000112.8
99S38.9Very low53Low99 Ų99127.5 Ų127.569%0.69273%0.726SS**  trans-164.2120.5163.5178.60000111.6T101S99-T101 PolarHBondContact O-N 3.32Å
100P44.2Very low50.7Low125 Ų125125.9 Ų125.981%0.81272%0.724SS**  trans-86.3101.2167.233-28.2000109.6
101T40Very low48.8Very low128 Ų128127.9 Ų127.979%0.78574%0.742SS**  trans169.2107.7139.1-71.70000110.8S99S99-T101 PolarHBondContact O-N 3.32Å
102S40Very low46.9Very low106 Ų106127.4 Ų127.474%0.74174%0.744SS**  173143.8119.446.30000109.7
103K46.8Very low45.4Very low216 Ų216127.8 Ų127.894%0.93975%0.746SS**  trans-85.4118.1168.9-65.8-173177.9-174.10107.8
104A40.2Very low45.2Very low91 Ų91133.9 Ų133.975%0.75277%0.768SS**  trans-134.7137.4163.800000108.7
105D36.8Very low45.2Very low162 Ų162135.3 Ų135.387%0.86678%0.776SS**  trans-71.3148.4-169.6-144.1-63.6000112.1K107D105-K107 PolarHBondContact O-N 2.88Å
106V49.3Very low45.3Very low123 Ų123136.6 Ų136.675%0.74577%0.769SS**  trans-80.5105.6-179.41750000108.8V108V106-V108 HydrophobicContact CG1-CG2 4.16Å
107K40.2Very low45.5Very low185 Ų185134.3 Ų134.380%0.80476%0.757SS**  trans-123.592.7158.8-159169.5-173.5-177.40110.8D105 Q109D105-K107 PolarHBondContact O-N 2.88Å; K107-Q109 PolarHBondContact O-N 3.49Å
108V47.5Very low46.1Very low128 Ų128133.2 Ų133.278%0.77676%0.757SS**  trans-53107.4164.8176.50000107.8V106V106-V108 HydrophobicContact CG1-CG2 4.16Å
109Q39Very low46.8Very low173 Ų173127.8 Ų127.881%0.80874%0.736SS**  trans-85.2112166.9-67.4-163.920.600108K107K107-Q109 PolarHBondContact O-N 3.49Å
110S44.7Very low47.7Very low79 Ų79126.2 Ų126.255%0.55273%0.725SS**  trans-50.9145158.7-178.50000109.3V112S110-V112 VanDerWaalsContact C-N 3.32Å; S110-V112 PolarHBondContact O-N 2.92Å
111P47.3Very low48.3Very low130 Ų130125.9 Ų125.984%0.84472%0.716SS**  trans-66.197.2167.928.9-32.9000108.1
112V43.1Very low49.2Very low110 Ų110125.1 Ų125.167%0.66771%0.706SS**  trans-128.3118179.2160.90000108.2S110S110-V112 VanDerWaalsContact C-N 3.32Å; S110-V112 PolarHBondContact O-N 2.92Å
113D38.7Very low49.9Very low133 Ų133128.1 Ų128.171%0.71171%0.713SS**  trans85.2138.9152.4-14815.3000120N115D113-N115 PolarHBondContact O-N 3.3Å
114E59.1Low50.5Low186 Ų186121.4 Ų121.487%0.86969%0.693SS**SBendtrans-81.949.4-174.2-164.3174.2114.500110.3
115N56.4Low51.7Low143 Ų143125.7 Ų125.777%0.76570%0.704SS**  trans-153.829.6-176.9-133.5-106.1000116.1D113D113-N115 PolarHBondContact O-N 3.3Å
116T57.1Low52.8Low100 Ų100123.5 Ų123.561%0.61370%0.7SS**  trans-83.8121.5172.5-60.70000110.6S120T116-S120 VanDerWaalsContact CG2-OG 3.3Å; T116-S120 WeakPolarHBondContact CG2-OG 3.25Å
117D56Low53.4Low105 Ų105120.5 Ų120.556%0.56168%0.684SS**  trans-51.8121175.4176.1-1.6000110.9A119 S120D117-A119 PolarHBondContact O-N 3.45Å; D117-A119 VanDerWaalsContact O-N 3.09Å; D117-A119 VanDerWaalsContact OD1-CB 3.3Å; D117-A119 WeakPolarHBondContact OD1-CB 3.46Å; D117-A119 PolarHBondContact OD1-N 3.3Å; D117-S120 WeakPolarHBondContact O-CB 3.44Å; D117-S120 PolarHBondContact O-N 3.04Å; D117-S120 PolarHBondContact O-OG 3.18Å
118P59.1Low54.5Low105 Ų105116.5 Ų116.568%0.68268%0.675SS**G310 helixtrans-61.7-19.6-177.125.9-35.5000113.4S120 L121P118-S120 PolarHBondContact O-N 2.86Å; P118-L121 PolarHBondContact O-N 2.9Å
119A58.6Low55.5Low56 Ų56114.5 Ų114.546%0.46366%0.66SS.*G310 helixtrans-63.6-24.7173.600000113.1D117 L121 L122D117-A119 PolarHBondContact O-N 3.45Å; D117-A119 VanDerWaalsContact O-N 3.09Å; D117-A119 VanDerWaalsContact OD1-CB 3.3Å; D117-A119 WeakPolarHBondContact OD1-CB 3.46Å; D117-A119 PolarHBondContact OD1-N 3.3Å; A119-L121 VanDerWaalsContact C-N 3.29Å; A119-L121 PolarHBondContact O-N 3.11Å; A119-L122 WeakPolarHBondContact O-CB 3.4Å; A119-L122 WeakPolarHBondContact O-CD1 3.5Å; A119-L122 WeakPolarHBondContact O-CG 3.4Å; A119-L122 PolarHBondContact O-N 3.49Å
120S57.4Low56.7Low66 Ų66107.8 Ų107.846%0.46264%0.637SS.*G310 helixtrans-73.2-16.8-179.567.50000114.3T116 D117 P118 L122T116-S120 VanDerWaalsContact CG2-OG 3.3Å; T116-S120 WeakPolarHBondContact CG2-OG 3.25Å; D117-S120 WeakPolarHBondContact O-CB 3.44Å; D117-S120 PolarHBondContact O-N 3.04Å; D117-S120 PolarHBondContact O-OG 3.18Å; P118-S120 PolarHBondContact O-N 2.86Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 3.06Å
121L56.8Low57.7Low119 Ų119108.1 Ų108.162%0.62365%0.645SS**G310 helixtrans-82.8-2.3178.7-64.3174.3000113.8P118 A119 L123P118-L121 PolarHBondContact O-N 2.9Å; A119-L121 VanDerWaalsContact C-N 3.29Å; A119-L121 PolarHBondContact O-N 3.11Å; L121-L123 PolarHBondContact O-N 3.35Å
122L58.2Low58.6Low112 Ų112107.4 Ų107.459%0.58664%0.638SS**G310 helixtrans-763.1-174.6-69.3170.6000115.1A119 S120A119-L122 WeakPolarHBondContact O-CB 3.4Å; A119-L122 WeakPolarHBondContact O-CD1 3.5Å; A119-L122 WeakPolarHBondContact O-CG 3.4Å; A119-L122 PolarHBondContact O-N 3.49Å; S120-L122 VanDerWaalsContact C-N 3.3Å; S120-L122 PolarHBondContact O-N 3.06Å
123L56.5Low59.7Low169 Ų169107.2 Ų107.289%0.88563%0.632SS**G310 helixtrans-95.41.9-175.9-68.7168.5000114.6L121L121-L123 PolarHBondContact O-N 3.35Å
124S57.8Low60.8Low75 Ų75102.6 Ų102.652%0.52462%0.616SS.*SBendtrans-109.8130.2177-176.70000111.8C126 S127S124-C126 PolarHBondContact O-N 2.75Å; S124-S127 WeakPolarHBondContact O-CB 3.4Å; S124-S127 PolarHBondContact O-N 2.93Å
125N66.6Low61.1Low181 Ų18199 Ų9997%0.96860%0.602SS**THydrogen-bonded Turntrans-64.65.2-178.5-76.7-43.7000115.2
126C59.1Low61.5Low116 Ų11699.7 Ų99.778%0.78461%0.606SS**THydrogen-bonded Turntrans-107.11.3172-61.60000113.2S124 V128S124-C126 PolarHBondContact O-N 2.75Å; C126-V128 PolarHBondContact O-N 3.37Å
127S63.2Low61.7Low59 Ų59102 Ų10241%0.41361%0.61SS.*  trans-76.6105.5179.2-169.90000111S124S124-S127 WeakPolarHBondContact O-CB 3.4Å; S124-S127 PolarHBondContact O-N 2.93Å
128V62.2Low62Low102 Ų102104.1 Ų104.162%0.61862%0.619SS**  trans-81.8120.7170.3166.70000108.7C126 G130 L133C126-V128 PolarHBondContact O-N 3.37Å; V128-G130 PolarHBondContact O-N 3.28Å; V128-L133 HydrophobicContact CG1-CD1 3.4Å; V128-L133 VanDerWaalsContact CG1-CD1 3.4Å; V128-L133 HydrophobicContact CG1-CG 4.2Å
129N68.8Low62Low85 Ų85105.3 Ų105.346%0.45563%0.625SS.*  trans-70.4102.9175.8-174.6-9.6000110.2A131 V132N129-A131 PolarHBondContact O-N 2.96Å; N129-A131 VanDerWaalsContact O-N 3.17Å; N129-A131 WeakPolarHBondContact OD1-CB 3.4Å; N129-A131 PolarHBondContact OD1-N 2.76Å; N129-A131 VanDerWaalsContact OD1-N 3.14Å; N129-V132 HydrophobicContact CB-CB 4.29Å; N129-V132 HydrophobicContact CB-CG2 3.95Å; N129-V132 WeakPolarHBondContact O-CB 3.48Å; N129-V132 PolarHBondContact O-N 3.24Å
130G63.5Low61.9Low32 Ų32106.8 Ų106.833%0.3363%0.632SS.*THydrogen-bonded Turntrans-56.7-29.7-179.500000114.1V128 V132 L133 G134 L135V128-G130 PolarHBondContact O-N 3.28Å; G130-V132 VanDerWaalsContact C-N 3.32Å; G130-V132 PolarHBondContact O-N 3.38Å; G130-L133 PolarHBondContact O-N 3Å; G130-G134 PolarHBondContact O-N 3.44Å; G130-L135 PolarHBondContact O-N 3.13Å
131A65.8Low61.6Low87 Ų87112.6 Ų112.672%0.71965%0.652SS**THydrogen-bonded Turntrans-71.3-23.4176.500000113.3N129N129-A131 PolarHBondContact O-N 2.96Å; N129-A131 VanDerWaalsContact O-N 3.17Å; N129-A131 WeakPolarHBondContact OD1-CB 3.4Å; N129-A131 PolarHBondContact OD1-N 2.76Å; N129-A131 VanDerWaalsContact OD1-N 3.14Å
132V66.2Low61.2Low114 Ų114114.7 Ų114.769%0.69166%0.656SS**THydrogen-bonded Turntrans-79.5-23.2175.4173.90000111.6N129 G130N129-V132 HydrophobicContact CB-CB 4.29Å; N129-V132 HydrophobicContact CB-CG2 3.95Å; N129-V132 WeakPolarHBondContact O-CB 3.48Å; N129-V132 PolarHBondContact O-N 3.24Å; G130-V132 VanDerWaalsContact C-N 3.32Å; G130-V132 PolarHBondContact O-N 3.38Å
133L66Low60.7Low107 Ų107114.3 Ų114.356%0.5667%0.669SS**THydrogen-bonded Turntrans-1001.1179-62.9-174000113.9V128 G130 L135V128-L133 HydrophobicContact CG1-CD1 3.4Å; V128-L133 VanDerWaalsContact CG1-CD1 3.4Å; V128-L133 HydrophobicContact CG1-CG 4.2Å; G130-L133 PolarHBondContact O-N 3Å; L133-L135 HydrophobicContact CB-CD1 4.02Å; L133-L135 HydrophobicContact CB-CD2 4.45Å; L133-L135 HydrophobicContact CB-CG 3.77Å; L133-L135 HydrophobicContact CD1-CD1 4.19Å; L133-L135 PolarHBondContact O-N 2.91Å; L133-L135 VanDerWaalsContact O-N 3.15Å
134G63.3Low60.3Low36 Ų36110.2 Ų110.237%0.37165%0.654SS.*THydrogen-bonded Turntrans6317.9178.500000114.7G130 D136 E137G130-G134 PolarHBondContact O-N 3.44Å; G134-D136 PolarHBondContact O-N 2.94Å; G134-E137 PolarHBondContact O-N 2.75Å; G134-E137 VanDerWaalsContact O-N 3.13Å
135L64.6Low59.8Low110 Ų110112.4 Ų112.458%0.57667%0.667SS**THydrogen-bonded Turntrans-69.2-16.1-171.3-63.5176000113.7G130 L133G130-L135 PolarHBondContact O-N 3.13Å; L133-L135 HydrophobicContact CB-CD1 4.02Å; L133-L135 HydrophobicContact CB-CD2 4.45Å; L133-L135 HydrophobicContact CB-CG 3.77Å; L133-L135 HydrophobicContact CD1-CD1 4.19Å; L133-L135 PolarHBondContact O-N 2.91Å; L133-L135 VanDerWaalsContact O-N 3.15Å
136D64.1Low58.5Low157 Ų157108.4 Ų108.484%0.8466%0.659SS**THydrogen-bonded Turntrans-85.2-9.9178.1-148.329.9000112.6G134G134-D136 PolarHBondContact O-N 2.94Å
137E62.9Low58.1Low149 Ų149107.3 Ų107.370%0.69666%0.659SS**  trans-98.99.4-167.5-144.6171.4-150.800114.4G134 T139G134-E137 PolarHBondContact O-N 2.75Å; G134-E137 VanDerWaalsContact O-N 3.13Å; E137-T139 VanDerWaalsContact C-N 3.32Å; E137-T139 PolarHBondContact O-N 3Å
138I60.7Low57Low149 Ų149116 Ų11676%0.76468%0.682SS**THydrogen-bonded Turntrans-77.6-0.2-17453172.2000116.1
139T59.4Low56.1Low131 Ų131118.8 Ų118.880%0.80469%0.689SS**THydrogen-bonded Turntrans-125.810.5-178.6570000115.5E137 E141E137-T139 VanDerWaalsContact C-N 3.32Å; E137-T139 PolarHBondContact O-N 3Å; T139-E141 PolarHBondContact O-N 2.98Å
140S57Low54.9Low87 Ų87124.9 Ų124.961%0.60871%0.711SS**  trans-95.332.4175.878.20000114.5K142S140-K142 PolarHBondContact O-N 3.01Å
141E51Low53.7Low187 Ų187131.9 Ų131.987%0.87473%0.732SS**  trans-67.186.4167.6-166.3-173.616200110.7T139 A143T139-E141 PolarHBondContact O-N 2.98Å; E141-A143 PolarHBondContact O-N 3.11Å; E141-A143 VanDerWaalsContact O-N 3.13Å
142K48.5Very low52.7Low163 Ų163134.4 Ų134.471%0.70974%0.739SS**  trans15.388.6148.6-172174.7177.2-72.50114.4S140 S144S140-K142 PolarHBondContact O-N 3.01Å; K142-S144 PolarHBondContact O-N 3.28Å
143A46.8Very low51.2Low105 Ų105133.9 Ų133.987%0.86874%0.741SS**  trans-59.784.8160.900000110.2E141E141-A143 PolarHBondContact O-N 3.11Å; E141-A143 VanDerWaalsContact O-N 3.13Å
144S48.7Very low49.9Very low82 Ų82134.2 Ų134.257%0.57375%0.752SS**  trans-73.7129.2173.763.30000109.8K142K142-S144 PolarHBondContact O-N 3.28Å
145P47.5Very low48.8Very low122 Ų122142.4 Ų142.479%0.79278%0.777SS**  trans-75.7153.5176.731.1-34.2000111.1
146A40Very low47.7Very low96 Ų96141.5 Ų141.579%0.79379%0.785SS**  trans76.9105.8162.400000119.4
147A49.5Very low46.4Very low94 Ų94138.6 Ų138.678%0.77778%0.783SS**  67.4102.9126.300000120.2
148R40.9Very low45.1Very low241 Ų241139.1 Ų139.191%0.90979%0.786SS**  -157.7105.9121.7-112.9159.7173.4-118.4-0.9114.4
149Q42.2Very low44.4Very low161 Ų161138.5 Ų138.575%0.75279%0.788SS**  trans16.8112.1149.7-59.5-177.6-4500118.7K151Q149-K151 PolarHBondContact O-N 2.91Å
150K43.6Very low43.4Very low213 Ų213138.9 Ų138.993%0.92678%0.781SS**  trans-58.3130.4152.9-69.6180177179.60109.2
151K40Very low42.5Very low179 Ų179144.5 Ų144.578%0.77879%0.789SS**  trans-126130.4161.9-74.7-170.7177.2-176.70109.5Q149Q149-K151 PolarHBondContact O-N 2.91Å
152T42.7Very low42.4Very low139 Ų139144.9 Ų144.985%0.85379%0.788SS**  trans-95.2128.4179.347.80000110.8
153S36.5Very low41.9Very low104 Ų104145 Ų14573%0.72780%0.796SS**  trans-179.8106.6161.745.60000106.4
154S38.8Very low42.1Very low113 Ų113147.6 Ų147.679%0.7980%0.795SS**  84.6124.671.873.70000114.4
155K39.6Very low42.1Very low209 Ų209152.8 Ų152.891%0.90981%0.811SS**  trans105.6132.9149.9-156.7161.9-175.1173.90117.4
156A40.3Very low42.6Very low91 Ų91154.8 Ų154.875%0.75282%0.815SS**  trans-87.2156.7178.200000112.2
157A37.8Very low43.5Very low96 Ų96159.2 Ų159.279%0.79382%0.819SS**  179.9162124.400000113.1
158E35.3Very low44Very low159 Ų159160 Ų16074%0.74381%0.81SS**  trans95.8129.2148.7-155.3165.2162.200120.5Q160E158-Q160 HydrophobicContact CG-CG 4.47Å; E158-Q160 PolarHBondContact OE1-NE2 3.26Å
159V46Very low45Very low136 Ų136158.6 Ų158.682%0.82481%0.806SS**  trans-108.4118.9178.7168.10000108.3
160Q37.7Very low46Very low139 Ų139157.3 Ų157.365%0.6580%0.798SS**  trans-139.8102.8162.2-68.1-155.326.100114E158E158-Q160 HydrophobicContact CG-CG 4.47Å; E158-Q160 PolarHBondContact OE1-NE2 3.26Å
161R39.6Very low46.7Very low205 Ų205151.9 Ų151.977%0.77479%0.785SS**  trans36.6126.7138-51.6-171.7-167.6102.31121.9
162K47.2Very low47.4Very low195 Ų195152.2 Ų152.285%0.84879%0.786SS**  trans57.1121.2138.9-66.2-161.3173.5-157.40120.1
163N39.6Very low47.8Very low167 Ų167153.9 Ų153.989%0.89379%0.789SS**  -158.9157.7116.5-90.5-30.1000110.4
164D50.1Low48.3Very low158 Ų158154.4 Ų154.485%0.84579%0.788SS**  trans-73.7131.8166.1-84.9-80.6000109.7
165E48.6Very low48.9Very low192 Ų192154.8 Ų154.890%0.89779%0.788SS**  trans-171.6122.4142.7-107.6163.515800108.6
166D59.6Low49.7Very low163 Ų163150.7 Ų150.787%0.87278%0.776SS**  trans-64.7132.4158.5-89.9-43.7000107.8
167E58.6Low50.3Low190 Ų190151.8 Ų151.889%0.88878%0.778SS**  trans161.8148.9147.6-81.5-93.4160.400109.5
168D59.1Low51.1Low111 Ų111155.3 Ų155.359%0.59478%0.778SS**  trans68.958.9176.3-157.840000118.6K170D168-K170 VanDerWaalsContact C-N 3.29Å; D168-K170 PolarHBondContact O-N 2.86Å; D168-K170 WeakPolarHBondContact OD1-CG 3.48Å; D168-K170 IonicContact OD1-NZ 2.8Å; D168-K170 PolarHBondContact OD1-NZ 3.36Å; D168-K170 IonicContact OD2-NZ 2.59Å; D168-K170 PolarHBondContact OD2-NZ 3.43Å
169Y61.2Low51.5Low210 Ų210152.2 Ų152.282%0.82477%0.774SS**  trans-67.986.5155.8-177.1-96.9000110.4P171Y169-P171 HydrophobicContact CE1-CB 4.36Å; Y169-P171 WeakPolarHBondContact O-CD 3.38Å
170K65.1Low52Low135 Ų135153 Ų15359%0.58777%0.773SS**  trans-72119.6163.7-81.6-178.617559.40109.9D168 K172D168-K170 VanDerWaalsContact C-N 3.29Å; D168-K170 PolarHBondContact O-N 2.86Å; D168-K170 WeakPolarHBondContact OD1-CG 3.48Å; D168-K170 IonicContact OD1-NZ 2.8Å; D168-K170 PolarHBondContact OD1-NZ 3.36Å; D168-K170 IonicContact OD2-NZ 2.59Å; D168-K170 PolarHBondContact OD2-NZ 3.43Å; K170-K172 PolarHBondContact O-N 2.86Å; K170-K172 VanDerWaalsContact O-N 3.11Å
171P57.7Low52.9Low98 Ų98153 Ų15364%0.63677%0.773SS**  trans-64.2116.3171.526.8-32.6000109.1Y169 L173Y169-P171 HydrophobicContact CE1-CB 4.36Å; Y169-P171 WeakPolarHBondContact O-CD 3.38Å; P171-L173 PolarHBondContact O-N 3.34Å
172K54.3Low53.5Low187 Ų187149.2 Ų149.281%0.81377%0.769SS**  trans-73.3108.5175.6-64.8179.8-176.81750108.4K170 T174K170-K172 PolarHBondContact O-N 2.86Å; K170-K172 VanDerWaalsContact O-N 3.11Å; K172-T174 PolarHBondContact O-N 3.03Å
173L52.2Low53.5Low174 Ų174149.6 Ų149.691%0.91177%0.771SS**  trans-68.883.9163.4-72.1170000108.6P171 P175P171-L173 PolarHBondContact O-N 3.34Å; L173-P175 WeakPolarHBondContact O-CD 3.49Å
174T46.8Very low54.2Low115 Ų115145.6 Ų145.671%0.70676%0.756SS**  trans-74.5119.6160.145.30000107.8K172 D176K172-T174 PolarHBondContact O-N 3.03Å; T174-D176 PolarHBondContact O-N 2.92Å
175P51.3Low54.3Low121 Ų121146.9 Ų146.979%0.78676%0.756SS**  trans-64.4130.9168.7-1328000108.6L173L173-P175 WeakPolarHBondContact O-CD 3.49Å
176D55Low54.3Low122 Ų122142.7 Ų142.765%0.65275%0.746SS**  trans50.1115.2153.8-140.17.4000118.8T174 E178T174-D176 PolarHBondContact O-N 2.92Å; D176-E178 WeakPolarHBondContact OD1-CG 3.3Å
177S53.6Low53.9Low114 Ų114143.6 Ų143.680%0.79775%0.745SS**  trans-142.875.6163.5-720000108.7S179S177-S179 PolarHBondContact O-N 3.3Å; S177-S179 VanDerWaalsContact O-N 3.11Å
178E54.5Low53.3Low170 Ų170143.3 Ų143.379%0.79474%0.741SS**  trans-54.4104.1156.6-42.6-178.2124.500108D176D176-E178 WeakPolarHBondContact OD1-CG 3.3Å
179S44.1Very low52.7Low94 Ų94142.4 Ų142.466%0.65774%0.743SS**  trans-115.784.2170.2-166.40000107S177 E181S177-S179 PolarHBondContact O-N 3.3Å; S177-S179 VanDerWaalsContact O-N 3.11Å; S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 WeakPolarHBondContact CA-OE2 3.49Å; S179-E181 PolarHBondContact O-N 3.04Å; S179-E181 PolarHBondContact OG-OE2 2.8Å
180D55.5Low52Low152 Ų152141 Ų14181%0.81374%0.744SS**  trans-8178.6172.6-179.639.8000109
181E57.2Low51.3Low140 Ų140140.8 Ų140.865%0.65475%0.749SS**  trans-114.376176.1-94.177.5-162.900111.1S179 F183S179-E181 VanDerWaalsContact C-N 3.31Å; S179-E181 WeakPolarHBondContact CA-OE2 3.49Å; S179-E181 PolarHBondContact O-N 3.04Å; S179-E181 PolarHBondContact OG-OE2 2.8Å; E181-F183 PolarHBondContact O-N 2.59Å
182D53.1Low50.9Low126 Ų126145.3 Ų145.367%0.67476%0.762SS**  trans31.780.4144.8-167.70000116.1S184D182-S184 PolarHBondContact O-N 3.41Å; D182-S184 PolarHBondContact OD1-N 3.04Å; D182-S184 PolarHBondContact OD1-OG 3.46Å; D182-S184 VanDerWaalsContact OD1-OG 3.12Å
183F45.8Very low50.5Low203 Ų203143.2 Ų143.289%0.8976%0.755SS**  trans-76.676.6165.7-123.6-84.8000109.9E181 E185E181-F183 PolarHBondContact O-N 2.59Å; F183-E185 PolarHBondContact O-N 2.95Å
184S54.6Low50Low83 Ų83144.2 Ų144.258%0.5875%0.752SS**  trans-54.3124.5176.1-49.60000110.8D182 P186D182-S184 PolarHBondContact O-N 3.41Å; D182-S184 PolarHBondContact OD1-N 3.04Å; D182-S184 PolarHBondContact OD1-OG 3.46Å; D182-S184 VanDerWaalsContact OD1-OG 3.12Å; S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.49Å
185E52.8Low49.8Very low184 Ų184142.5 Ų142.586%0.8674%0.742SS**  trans-56.8122.3175.3-70.7-176125.900110.2F183 E187F183-E185 PolarHBondContact O-N 2.95Å; E185-E187 VanDerWaalsContact C-N 3.3Å; E185-E187 PolarHBondContact O-N 2.83Å
186P48.3Very low50Low104 Ų104142.8 Ų142.868%0.67574%0.741SS**  trans-72.995.1161.930-30.3000107.5S184 K188S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.49Å; P186-K188 VanDerWaalsContact C-N 3.25Å; P186-K188 PolarHBondContact O-N 3.25Å
187E51.7Low49.9Very low182 Ų182145.7 Ų145.785%0.8575%0.748SS**  trans-53.890.6166.6-172.4178.9-152.800109.2E185 S189E185-E187 VanDerWaalsContact C-N 3.3Å; E185-E187 PolarHBondContact O-N 2.83Å; E187-S189 PolarHBondContact O-N 2.72Å
188K45.6Very low50Low185 Ų185149.9 Ų149.980%0.80475%0.752SS**  trans-95.777.8172.6-74.2-73-175.7176.50108.1P186P186-K188 VanDerWaalsContact C-N 3.25Å; P186-K188 PolarHBondContact O-N 3.25Å
189S47.4Very low49.8Very low91 Ų91147.4 Ų147.464%0.63675%0.753SS**  trans-35.3149.3136.350.40000110E187E187-S189 PolarHBondContact O-N 2.72Å
190E44.9Very low49.7Very low181 Ų181148 Ų14885%0.84676%0.757SS**  cis173.9151.86.6160.6175.3-150.400101.6
191D52.1Low48.9Very low131 Ų131151.2 Ų151.270%0.70176%0.764SS**  trans52.4107169.7-165.721.9000118.3E193D191-E193 PolarHBondContact OD1-N 3.46Å
192E49.2Very low48.1Very low192 Ų192148.9 Ų148.990%0.89777%0.769SS**  -152.788.3125.6-116.2175.8-157.800110.4F194E192-F194 PolarHBondContact O-N 2.99Å
193E45.7Very low47.6Very low144 Ų144152.9 Ų152.967%0.67378%0.781SS**  trans-38.7117.5169-179.7-178.4-160.800113.6D191 T195D191-E193 PolarHBondContact OD1-N 3.46Å; E193-T195 HydrophobicContact CG-CG2 3.65Å; E193-T195 PolarHBondContact O-N 3.19Å; E193-T195 WeakPolarHBondContact OE1-CG2 3.49Å
194F40.9Very low47.4Very low194 Ų194155 Ų15585%0.85178%0.782SS**  trans-74.349.1177.3-147.2-92000113E192 V196E192-F194 PolarHBondContact O-N 2.99Å; F194-V196 PolarHBondContact O-N 3.26Å
195T43.4Very low46.7Very low79 Ų79159.7 Ų159.749%0.48579%0.793SS.*  trans-87.481.7171.852.60000111.6E193 K197E193-T195 HydrophobicContact CG-CG2 3.65Å; E193-T195 PolarHBondContact O-N 3.19Å; E193-T195 WeakPolarHBondContact OE1-CG2 3.49Å; T195-K197 PolarHBondContact O-N 3.29Å
196V55.3Low45.9Very low128 Ų128157.9 Ų157.978%0.77678%0.784SS**  trans-68.764.4162.3-77.50000111.8F194F194-V196 PolarHBondContact O-N 3.26Å
197K51.4Low45.4Very low182 Ų182162 Ų16279%0.79179%0.791SS**  trans-101.991.8171-88.9-175.3176.7171.20111.2T195 S199T195-K197 PolarHBondContact O-N 3.29Å; K197-S199 PolarHBondContact O-N 3.35Å
198K57.3Low44.6Very low203 Ų203159.8 Ų159.888%0.88379%0.79SS**  trans-3.6101.2153.2-174.2170.5-177.1170.80115.5
199S49.1Very low44.1Very low118 Ų118156.5 Ų156.583%0.82579%0.785SS**  trans-99.1103.3171.350.80000111.5K197K197-S199 PolarHBondContact O-N 3.35Å
200S42.1Very low43.5Very low106 Ų106161.7 Ų161.774%0.74180%0.797SS**  trans-75.8123.4169.543.30000110.6A202S200-A202 PolarHBondContact O-N 3.46Å
201K39.3Very low43.1Very low219 Ų219161.7 Ų161.795%0.95279%0.794SS**  trans-7785.8179.3-168.2172.6-174.1170.60111.4
202A40.9Very low42.2Very low92 Ų92162.4 Ų162.476%0.7680%0.798SS**  trans-97.4156.4171.400000112.2S200S200-A202 PolarHBondContact O-N 3.46Å
203K41.8Very low41.8Very low210 Ų210162.2 Ų162.291%0.91379%0.794SS**  trans-87.8148.4-166-75.4-164.8177.5-176.50115.7
204R41.4Very low41.6Very low247 Ų247161.2 Ų161.293%0.93280%0.8SS**  trans-37.2125.8163.2-174.1-168.3-160.3-165.68116.2
205K41Very low41.4Very low182 Ų182161 Ų16179%0.79180%0.799SS**  trans172.4155.2146.2-99.4176.9168.2-86.60105.5
206E34.8Very low41.4Very low145 Ų145163.2 Ų163.268%0.67881%0.814SS**  cis-177137.5-10.1176.9169.4156.200104.8
207K38.5Very low40.5Very low191 Ų191162.1 Ų162.183%0.8381%0.812SS**  trans-7.4134161.5-164.1-178.5-169.4-178.50118.2
208V35.1Very low40Very low136 Ų136159.3 Ų159.382%0.82481%0.813SS**  -177.5167.8127146.50000111.8
209T34.7Very low39.1Very low115 Ų115153.9 Ų153.971%0.70681%0.806SS**  trans-99.5165.2-150.453.60000118.3
210K34.8Very low39Very low201 Ų201153.1 Ų153.187%0.87480%0.797SS**  trans99.2158.5136.8-108.5179.7179.5-178.80120
211K36.2Very low38.6Very low181 Ų181158.2 Ų158.279%0.78780%0.801SS**  trans-67.2168.5-171.7-55.3-173.3174.8-173.10111.8
212D32.6Very low38.5Very low146 Ų146154.4 Ų154.478%0.78178%0.784SS**  cis-167174.149.2-123.8-56000114.7
213K42.4Very low38.4Very low188 Ų188157 Ų15782%0.81778%0.781SS**  trans-92.7171163.6-76.9-173.8179.6179.30108.8
214P40.2Very low38.2Very low123 Ų123155.6 Ų155.680%0.79977%0.774SS**  cis-144.1-165.421.541.7-18.9000117
215K36.5Very low37.9Very low190 Ų190152.5 Ų152.583%0.82677%0.767SS**  trans-61.7160.7169.6-126.3176.9-176.1175.30112.3
216P43.2Very low37.7Very low125 Ų125152.9 Ų152.981%0.81277%0.772SS**  -149.1-177.276.438.9-19.1000116.5
217S36.4Very low37.8Very low104 Ų104151.9 Ų151.973%0.72778%0.781SS**  trans-93.8172.8168.956.90000111.8
218P41.4Very low37.9Very low124 Ų124152.6 Ų152.681%0.80578%0.784SS**  -151.6171.992.338.3-19.3000116.7
219A37.8Very low38Very low89 Ų89152 Ų15274%0.73679%0.786SS**  trans-89.5-179.5165.100000111.1
220P47.1Very low38.1Very low101 Ų101151.4 Ų151.466%0.65679%0.787SS**  -167-17784.846.7-26000119.6
221R35.1Very low38.1Very low214 Ų214149.9 Ų149.981%0.80879%0.787SS**  trans77149155-67.4161.2-160.9-116.7-4.4118
222K36.8Very low38.1Very low139 Ų139146.5 Ų146.560%0.60479%0.786SS**  cis-166.7156.42.5-124.3172.6166.1-131.40114.2
223E39.7Very low38.4Very low147 Ų147148.9 Ų148.969%0.68779%0.79SS**  trans60.8162.3144.1-75.1157.7-176.300123.8
224K36.4Very low38.7Very low180 Ų180145 Ų14578%0.78378%0.783SS**  cis-175.4161.7-43.6-155173.2-174.4179.40110.8
225K34.8Very low38.6Very low181 Ų181147.6 Ų147.679%0.78779%0.785SS**  trans81.8134.5169.2-50176.4-176.4179.60115.2
226Q37Very low38.3Very low191 Ų191143 Ų14389%0.89378%0.782SS**  cis81.5116.827.4-71.3-169.5-38.800117.7
227S37.8Very low37.8Very low123 Ų123141.2 Ų141.286%0.8678%0.778SS**  trans-153.5147.2151.754.40000110.9
228K40.3Very low37.7Very low207 Ų207142.8 Ų142.890%0.978%0.783SS**  trans-131.2151174.4-69.4-179.8178179.20108.4
229S36.4Very low37.4Very low123 Ų123143.4 Ų143.486%0.8678%0.784SS**  trans-157.4175159.455.80000110.9
230S37.6Very low37.2Very low103 Ų103144.1 Ų144.172%0.7278%0.784SS**  -158.5163.6-129.149.70000114.1
231L34.7Very low36.6Very low168 Ų168149.3 Ų149.388%0.8880%0.796SS**  trans68.6153.5171.8-99.457.2000115.2
232S35.8Very low36.8Very low110 Ų110144.5 Ų144.577%0.76980%0.796SS**  cis-153.9164.24.144.60000112.9
233K40Very low37.7Very low197 Ų197143.2 Ų143.286%0.85780%0.801SS**  trans-96176.8164.3-110179.1-177.4177.10109.3
234P48.7Very low37.8Very low105 Ų105142.4 Ų142.468%0.68281%0.809SS**  cis-128-154.528.837.6-14.4000112.1
235Q36.5Very low37.9Very low178 Ų178138.6 Ų138.683%0.83281%0.811SS**  cis-143.2-132.86.9-163.7129.6-55.900113.7
236A31.9Very low38.2Very low93 Ų93134.3 Ų134.377%0.76981%0.809SS**  trans-166.6150.7-158.700000113.1
237A32.4Very low38.1Very low89 Ų89134.2 Ų134.274%0.73681%0.806SS**  trans172.5109.8148.600000109.4
238V33.4Very low38.1Very low136 Ų136136.3 Ų136.382%0.82481%0.806SS**  67.5144.282.9-600000118.9
239V35.8Very low38.2Very low137 Ų137132.9 Ų132.983%0.8380%0.802SS**  trans99.5144163-1660000117
240S33.9Very low38.6Very low104 Ų104132.8 Ų132.873%0.72780%0.799SS**  trans-138.9179.1-157.1-36.60000111.4
241K34.1Very low38.4Very low211 Ų211133.1 Ų133.192%0.91780%0.801SS**  trans111.7147.6158.2-62.4174.11791790117
242S38.9Very low38.7Very low113 Ų113134.4 Ų134.479%0.7980%0.8SS**  trans-113.8-159.3-17349.80000110.7
243P55.2Low38.8Very low111 Ų111135.3 Ų135.372%0.72180%0.803SS**  -119.7-170.6-88.640.6-25000112.4
244P42.3Very low38.7Very low131 Ų131129.5 Ų129.585%0.85179%0.791SS**  trans-125.1166.1154.437.3-25.9000113.8
245A37.8Very low38.4Very low99 Ų99130.3 Ų130.382%0.81880%0.8SS**  trans-129.5160.4-16500000115.6
246A41.1Very low38.7Very low91 Ų91130.7 Ų130.775%0.75280%0.799SS**  trans68.6126155.500000120.7
247K36.2Very low39.1Very low190 Ų190131.9 Ų131.983%0.82680%0.802SS**  -176129.8105.7-96.7165.9-174.5177.60114.8
248L38.3Very low39.8Very low166 Ų166133.8 Ų133.887%0.86980%0.804SS**  trans73.2155.1143.8-55.9172.5000121.5
249V41.7Very low41.2Very low135 Ų135136.7 Ų136.782%0.81881%0.806SS**  trans-136173-157.6157.60000106.5
250P45Very low41.7Very low121 Ų121135.9 Ų135.979%0.78680%0.803SS**  cis-129.3167.9-1.424.3-1.4000117
251S33.2Very low42.3Very low110 Ų110137.4 Ų137.477%0.76981%0.808SS**  trans-170.1115.2139.1-175.30000114.5
252K41.1Very low43Very low195 Ų195132.5 Ų132.585%0.84880%0.8SS**  trans54.2147.9156.3-81.9171.1175.51690121.8
253P37.7Very low43.2Very low130 Ų130131.9 Ų131.984%0.84480%0.796SS**  trans-86.7129.3-173.234-33.4000112.8
254A36.9Very low43.1Very low74 Ų74133.2 Ų133.261%0.61280%0.802SS**  trans-103.8127.1160.900000108.8F256A254-F256 HydrophobicContact CB-CD2 4.37Å; A254-F256 HydrophobicContact CB-CE2 3.86Å; A254-F256 PolarHBondContact O-N 3.41Å
255S43.2Very low43.1Very low123 Ų123130.7 Ų130.786%0.8679%0.787SS**  trans-72.3105.9-178.552.70000111.5
256F42.6Very low43.8Very low185 Ų185132.4 Ų132.481%0.81179%0.79SS**  trans-106.2109.1168.7-72.7-75000110.7A254 V258A254-F256 HydrophobicContact CB-CD2 4.37Å; A254-F256 HydrophobicContact CB-CE2 3.86Å; A254-F256 PolarHBondContact O-N 3.41Å; F256-V258 PolarHBondContact O-N 2.86Å
257S41.3Very low44.4Very low119 Ų119132.8 Ų132.883%0.83279%0.793SS**  trans-71.9105.6170.1-178.40000109.4
258V46.6Very low45.2Very low129 Ų129126.7 Ų126.778%0.78278%0.784SS**PPolyproline II helixtrans-75.5122.4166.1-74.50000108.9F256F256-V258 PolarHBondContact O-N 2.86Å
259K61.7Low46Very low196 Ų196121.9 Ų121.985%0.85278%0.775SS**PPolyproline II helixtrans-67.3127.1174.3-61.8176.9-178.1177.70108.8
260P47.4Very low47.3Very low120 Ų120126.9 Ų126.978%0.77978%0.779SS**PPolyproline II helixtrans-67.5140.5168.928.2-32.4000109.8S262P260-S262 PolarHBondContact O-N 2.97Å
261V45.3Very low48.4Very low136 Ų136128.5 Ų128.582%0.82478%0.779SS**PPolyproline II helixtrans-56.7129.2167.4162.50000108.8S263V261-S263 PolarHBondContact O-N 3.28Å
262S49.3Very low50.2Low108 Ų108128.6 Ų128.676%0.75578%0.778SS**  trans-63.8106.8172.8-63.40000110.1P260 V264P260-S262 PolarHBondContact O-N 2.97Å; S262-V264 PolarHBondContact O-N 3.47Å
263S43.1Very low51.9Low100 Ų100128.1 Ų128.170%0.69978%0.776SS**  trans-66.2114.1161.642.20000108.7V261 S265V261-S263 PolarHBondContact O-N 3.28Å; S263-S265 PolarHBondContact O-N 2.75Å
264V52.6Low53.9Low140 Ų140132 Ų13285%0.84877%0.773SS**  trans-76.279.6170.8-177.20000108.2S262S262-V264 PolarHBondContact O-N 3.47Å
265S44.1Very low55.7Low78 Ų78134.7 Ų134.755%0.54578%0.778SS.*  trans-74.5127.1166.4-64.70000108.9S263 A267S263-S265 PolarHBondContact O-N 2.75Å; S265-A267 PolarHBondContact O-N 3.13Å
266P51.3Low57.2Low134 Ų134133.1 Ų133.187%0.8776%0.764SS**SBendtrans-70.6-14.3175.929.2-34.4000112.6G268P266-G268 VanDerWaalsContact C-N 3.26Å; P266-G268 PolarHBondContact O-N 2.71Å
267A53.4Low58.8Low99 Ų99129.4 Ų129.482%0.81876%0.759SS**  trans-81.562177.300000112.4S265S265-A267 PolarHBondContact O-N 3.13Å
268G52.5Low59.4Low63 Ų63127.6 Ų127.665%0.64975%0.751SS**  trans-131.110176.200000113.9P266 R270P266-G268 VanDerWaalsContact C-N 3.26Å; P266-G268 PolarHBondContact O-N 2.71Å; G268-R270 PolarHBondContact O-N 3.21Å; G268-R270 VanDerWaalsContact O-N 3.11Å
269G55.3Low59.9Low65 Ų65129.4 Ų129.467%0.6775%0.751SS**  trans-66.5107.5178.400000110.9I271G269-I271 PolarHBondContact O-N 2.88Å
270R69Low59.6Low239 Ų239126.9 Ų126.990%0.90275%0.752SS**  trans-58.6110.2165-58179.9-165176.95.1106.7G268 P272G268-R270 PolarHBondContact O-N 3.21Å; G268-R270 VanDerWaalsContact O-N 3.11Å; R270-P272 WeakPolarHBondContact O-CD 3.41Å
271I69.2Low59.9Low155 Ų155124.3 Ų124.380%0.79575%0.747SS**  trans-51.3119.7178.8-59.4166000106.9G269 K273G269-I271 PolarHBondContact O-N 2.88Å; I271-K273 PolarHBondContact O-N 3Å
272P69.8Low60.2Low113 Ų113126.8 Ų126.873%0.73475%0.747SS**  trans-59.7117.6178.624-32.1000106.8R270 W274R270-P272 WeakPolarHBondContact O-CD 3.41Å; P272-W274 VanDerWaalsContact C-N 3.27Å; P272-W274 PolarHBondContact O-N 3.21Å
273K78.8Confident60Low185 Ų185126.8 Ų126.880%0.80475%0.747SS**  trans-67.592.6-175.4-170.8171.7179.568.40108.2I271 N275I271-K273 PolarHBondContact O-N 3Å; K273-N275 PolarHBondContact O-N 3.24Å
274W78.8Confident60.3Low210 Ų210127.6 Ų127.680%0.79575%0.75SS**  trans-62.3102.1179179.3-102.5000108.5P272 P276P272-W274 VanDerWaalsContact C-N 3.27Å; P272-W274 PolarHBondContact O-N 3.21Å; W274-P276 VanDerWaalsContact O-CD 3.27Å; W274-P276 WeakPolarHBondContact O-CD 3.42Å
275N75.6Confident60.2Low131 Ų131127.5 Ų127.570%0.70175%0.75SS**  trans-77.8110.2163.6-74.5-31.2000105.9K273K273-N275 PolarHBondContact O-N 3.24Å
276P74.8Confident60.2Low90 Ų90129 Ų12958%0.58476%0.76SS**  trans-57.7144.517426.5-34.1000108.6W274 A278W274-P276 VanDerWaalsContact O-CD 3.27Å; W274-P276 WeakPolarHBondContact O-CD 3.42Å; P276-A278 PolarHBondContact O-N 3.19Å
277P76Confident60.1Low108 Ų108127.5 Ų127.570%0.70175%0.753SS**  trans-55.4114.1177.123-32.8000108.3Q279P277-Q279 PolarHBondContact O-N 2.96Å
278A53.6Low60.3Low81 Ų81132.1 Ų132.167%0.66976%0.758SS**  trans-55136.6-175.900000109.2P276 V280P276-A278 PolarHBondContact O-N 3.19Å; A278-V280 PolarHBondContact O-N 2.96Å
279Q56.4Low60.2Low166 Ų166135.5 Ų135.578%0.77677%0.766SS**  trans-68.182.2168.8-70.6-168.64.200108.7P277 G281P277-Q279 PolarHBondContact O-N 2.96Å; Q279-G281 PolarHBondContact O-N 3.17Å; Q279-G281 VanDerWaalsContact O-N 3.13Å
280V54.9Low59.8Low144 Ų144137.8 Ų137.887%0.87377%0.769SS**  trans-64111.8170.9178.40000107.4A278A278-V280 PolarHBondContact O-N 2.96Å
281G54.4Low59.1Low66 Ų66131.1 Ų131.168%0.6877%0.765SS**  trans115.259.5168.100000116.3Q279Q279-G281 PolarHBondContact O-N 3.17Å; Q279-G281 VanDerWaalsContact O-N 3.13Å
282K52.1Low58Low187 Ų187130 Ų13081%0.81377%0.765SS**  trans-13685.5154.3-69.8-169.7-179.3178.10111.5
283S43.7Very low57.6Low109 Ų109133.9 Ų133.976%0.76277%0.77SS**  trans-147.3120161.555.80000108
284P51.3Low56.5Low116 Ų116129.5 Ų129.575%0.75376%0.763SS**  trans-75.6163.9-178.832-34.9000112
285T49.6Very low55.2Low138 Ų138125.6 Ų125.685%0.84777%0.765SS**  trans56.298.3163.151.40000118.1
286S43.7Very low54.4Low110 Ų110124.8 Ų124.877%0.76977%0.77SS**  -175.7122.2105-168.30000112.4
287S50.2Low53.8Low103 Ų103124.9 Ų124.972%0.7278%0.778SS**  trans51.7105.1141.7-44.80000120.7
288Q57Low53.2Low196 Ų196122.6 Ų122.692%0.91677%0.774SS**  trans69.684133.9-154.217227.600118.5
289T50.5Low53.6Low133 Ų133125.7 Ų125.782%0.81678%0.778SS**  trans-132.8150.9154.249.80000109.7
290P47.3Very low54Low114 Ų114124.6 Ų124.674%0.7477%0.767SS**  trans-67.3148.2-173.627.2-35000112V292P290-V292 WeakPolarHBondContact O-CG2 3.3Å; P290-V292 PolarHBondContact O-N 3.15Å
291A53.9Low54.8Low98 Ų98125.3 Ų125.381%0.8177%0.765SS**  trans-63.686.3-170.300000114K293A291-K293 PolarHBondContact O-N 3.05Å; A291-K293 VanDerWaalsContact O-N 3.1Å
292V45.7Very low55.5Low133 Ų133126.2 Ų126.281%0.80677%0.774SS**  trans-72.5101.2167.3-163.50000107.7P290 S294P290-V292 WeakPolarHBondContact O-CG2 3.3Å; P290-V292 PolarHBondContact O-N 3.15Å; V292-S294 PolarHBondContact O-N 3.4Å
293K60.3Low56.2Low193 Ų193121.3 Ų121.384%0.83976%0.757SS**  trans-59.6106.8177.5-65.8166.4-176.71720108.7A291A291-K293 PolarHBondContact O-N 3.05Å; A291-K293 VanDerWaalsContact O-N 3.1Å
294S56.4Low57.3Low94 Ų94119.9 Ų119.966%0.65775%0.747SS**  trans-59.4137.2172.445.80000109.3V292 S296V292-S294 PolarHBondContact O-N 3.4Å; S294-S296 PolarHBondContact O-N 3.29Å
295P50.8Low58.2Low127 Ų127125.4 Ų125.483%0.82575%0.753SS**  trans-67.379.7173.7-22.935.2000111.4A297P295-A297 PolarHBondContact O-N 3.21Å
296S58.7Low59.1Low115 Ų115127 Ų12780%0.80475%0.752SS**  trans-71.16.617763.40000113.8S294 G298S294-S296 PolarHBondContact O-N 3.29Å; S296-G298 PolarHBondContact O-N 3.45Å
297A62.9Low60.5Low92 Ų92125.6 Ų125.676%0.7674%0.739SS**  trans-71.977.2170.900000110P295P295-A297 PolarHBondContact O-N 3.21Å
298G63.4Low61.7Low60 Ų60132.4 Ų132.462%0.61975%0.749SS**  trans-52.3152.7172.300000111.8S296 R300S296-G298 PolarHBondContact O-N 3.45Å; G298-R300 VanDerWaalsContact C-N 3.3Å; G298-R300 PolarHBondContact O-N 3.14Å
299L62.3Low62.5Low145 Ų145126.4 Ų126.476%0.75973%0.726SS**  trans-62.787.1-178.9-79.4160.3000111.2L301L299-L301 VanDerWaalsContact C-N 3.34Å; L299-L301 PolarHBondContact O-N 3.13Å
300R64.7Low64Low144 Ų144129.1 Ų129.154%0.54373%0.726SS.*  trans-78.185.3175-167.6174.1-178.6127.33.8109.5G298 L303G298-R300 VanDerWaalsContact C-N 3.3Å; G298-R300 PolarHBondContact O-N 3.14Å; R300-L303 HydrophobicContact CG-CB 4.29Å; R300-L303 VanDerWaalsContact NE-CD1 3.26Å; R300-L303 VanDerWaalsContact NH2-CD1 3.34Å
301L72.5Confident65.3Low158 Ų158129 Ų12983%0.82773%0.725SS**THydrogen-bonded Turntrans-60139.6171.7-56.6-179.6000109.5L299L299-L301 VanDerWaalsContact C-N 3.34Å; L299-L301 PolarHBondContact O-N 3.13Å
302G67.6Low66.3Low85 Ų85131.7 Ų131.788%0.87673%0.725SS**THydrogen-bonded Turntrans86.8-9.7177.800000117.2
303L66.9Low67.7Low84 Ų84132 Ų13244%0.4472%0.718SS.*SBendtrans-133.9136.2175.3-78.2163.6000111.4R300 R305R300-L303 HydrophobicContact CG-CB 4.29Å; R300-L303 VanDerWaalsContact NE-CD1 3.26Å; R300-L303 VanDerWaalsContact NH2-CD1 3.34Å; L303-R305 PolarHBondContact O-N 3.18Å
304S67Low68.3Low79 Ų79128.7 Ų128.755%0.55272%0.716SS**  trans-57.3137.9-177.1172.70000111.7M306 V307S304-M306 PolarHBondContact O-N 3.21Å; S304-V307 PolarHBondContact O-N 3.42Å
305R70.4Confident68.4Low233 Ų233129.4 Ų129.488%0.87972%0.721SS**THydrogen-bonded Turntrans-56.4-18.4-178.5-58.9-176.2-176.4-154.91.1114L303L303-R305 PolarHBondContact O-N 3.18Å
306M69.4Low68.7Low171 Ų171129.5 Ų129.584%0.84272%0.719SS**THydrogen-bonded Turntrans-91.8-12.8179.1-58.5-174.675.700113.8S304 R308S304-M306 PolarHBondContact O-N 3.21Å; M306-R308 PolarHBondContact O-N 3.47Å; M306-R308 VanDerWaalsContact O-N 3.16Å
307V72.6Confident68.4Low80 Ų80128.5 Ų128.549%0.48572%0.717SS.*  trans-79.5100177.9177.90000108.8S304 V309S304-V307 PolarHBondContact O-N 3.42Å; V307-V309 HydrophobicContact CG1-CG2 4.23Å; V307-V309 PolarHBondContact O-N 3.48Å
308R75.5Confident67.7Low246 Ų246130.1 Ų130.193%0.92872%0.718SS**  trans-63.9118.6170.5-78.5179.2-86128.9-6.9109.4M306M306-R308 PolarHBondContact O-N 3.47Å; M306-R308 VanDerWaalsContact O-N 3.16Å
309V73.8Confident66.7Low71 Ų71139.2 Ų139.243%0.4374%0.744SS.*  trans-104.9136.6173.5-176.50000108.9V307V307-V309 HydrophobicContact CG1-CG2 4.23Å; V307-V309 PolarHBondContact O-N 3.48Å
310K80.8Confident66.9Low189 Ų189139 Ų13982%0.82274%0.743SS**  trans-61.5131.4177.8-66.3172.767.5175.30109L312K310-L312 PolarHBondContact O-N 3.39Å
311P74.9Confident67.1Low112 Ų112138.7 Ų138.773%0.72775%0.754SS**  trans-61.8132.7170.327.2-33000108.6H313P311-H313 PolarHBondContact O-N 3.35Å
312L75.7Confident66.7Low155 Ų155137.6 Ų137.681%0.81275%0.75SS**SBendtrans-70.5-23.9-176.6-174.360.4000112.3K310K310-L312 PolarHBondContact O-N 3.39Å
313H74.6Confident66.7Low139 Ų139140.7 Ų140.764%0.64474%0.742SS**SBendtrans-118.1134.1177.8-52.7-65.4000109.4P311 S315P311-H313 PolarHBondContact O-N 3.35Å; H313-S315 PolarHBondContact O-N 3.29Å
314P73.6Confident66.7Low124 Ų124144.3 Ų144.381%0.80576%0.761SS**  trans-61.2127.9165.627.9-32.3000107.9V316P314-V316 PolarHBondContact O-N 2.68Å
315S58.8Low66.7Low108 Ų108148.6 Ų148.676%0.75578%0.775SS**  trans-60.3127.7-178.249.90000110.8H313 A317H313-S315 PolarHBondContact O-N 3.29Å; S315-A317 PolarHBondContact O-N 2.99Å
316V55.8Low66.4Low129 Ų129142.6 Ų142.678%0.78277%0.768SS**  trans-61.1106.5159.5179.10000106.8P314 T318P314-V316 PolarHBondContact O-N 2.68Å; V316-T318 HydrophobicContact CG1-CG2 4.25Å; V316-T318 PolarHBondContact O-N 2.95Å
317A52.2Low66.2Low94 Ų94140.4 Ų140.478%0.77776%0.762SS**  trans-76.890.4175.300000108.7S315 H319S315-A317 PolarHBondContact O-N 2.99Å; A317-H319 PolarHBondContact O-N 3.09Å
318T48.9Very low65.6Low127 Ų127145.4 Ų145.478%0.77979%0.785SS**  trans-73.8114.8165.950.40000109.1V316V316-T318 HydrophobicContact CG1-CG2 4.25Å; V316-T318 PolarHBondContact O-N 2.95Å
319H43.1Very low64.7Low251 Ų251136.3 Ų136.3100%1.16277%0.772SS**  trans-72.70169.2-177.8-49.4000110.8A317A317-H319 PolarHBondContact O-N 3.09Å

Retrieved 319 of 319 residues in 51.1 ms (Link to these results)