A0A077YYX6_TRITR Loading...

Protein Red

AlphaFold DB , UniProt , Accession A0A077YYX6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 546 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
1M41.9Very low47.2Very low237 Ų237169.7 Ų169.7100%1.16787%0.874SS**  083.40-63.4-143.1-97.200106.5
2Q41.2Very low47.3Very low185 Ų185161.6 Ų161.686%0.86485%0.851SS**  5990.293.6-72.8-178.20.500110.7
3E45.1Very low47.3Very low186 Ų186157.2 Ų157.287%0.86984%0.837SS**  82.899.382.6-168.2175.2-150.600112.1
4A56.3Low47.2Very low104 Ų104153.1 Ų153.186%0.8684%0.837SS**  trans-161.2101.1153.100000109.3
5R44.7Very low47.7Very low239 Ų239153.9 Ų153.990%0.90283%0.833SS**  trans-87.1109.7-175.2-157.5176-174.9176.50.5108.7K7R5-K7 PolarHBondContact O-N 3.47Å
6A56.8Low48.3Very low98 Ų98150.8 Ų150.881%0.8182%0.823SS**  trans-75120.617100000109.3
7K52.4Low48.9Very low201 Ų201152.4 Ų152.487%0.87482%0.823SS**  trans-80.1114.7179.7-69.5172.3177.7174.50109R5 S9R5-K7 PolarHBondContact O-N 3.47Å; K7-S9 PolarHBondContact O-N 3.41Å
8E48.4Very low50.4Low194 Ų194153.8 Ų153.891%0.90782%0.824SS**  trans-63.9121.3161.7-77.9175.5143.500109.1F10E8-F10 PolarHBondContact O-N 3.34Å
9S44.6Very low51.7Low109 Ų109151.7 Ų151.776%0.76282%0.819SS**  trans-74106.7170.351.70000109.3K7 V11K7-S9 PolarHBondContact O-N 3.41Å; S9-V11 PolarHBondContact O-N 3.25Å
10F40.1Very low53.2Low180 Ų180148.6 Ų148.679%0.78980%0.802SS**  trans-56.4110.2171.3-176-99.9000110.7E8 A12E8-F10 PolarHBondContact O-N 3.34Å; F10-A12 HydrophobicContact CE1-CB 4.45Å; F10-A12 PolarHBondContact O-N 3.22Å
11V47.9Very low54.7Low134 Ų134145.2 Ų145.281%0.81279%0.786SS**  trans-80.2112.3166.5175.20000106.9S9S9-V11 PolarHBondContact O-N 3.25Å
12A48.1Very low56.8Low72 Ų72140.3 Ų140.360%0.59577%0.765SS**PPolyproline II helixtrans-60.9137.8-179.600000111.2F10F10-A12 HydrophobicContact CE1-CB 4.45Å; F10-A12 PolarHBondContact O-N 3.22Å
13P46.8Very low59.1Low104 Ų104134.4 Ų134.468%0.67575%0.747SS**PPolyproline II helixtrans-66.5135.5173.527.9-31.7000109.5E15P13-E15 PolarHBondContact O-N 3.36Å
14A47Very low61Low101 Ų101128.6 Ų128.684%0.83572%0.722SS**PPolyproline II helixtrans-56.1123.7176.100000110.7
15E54.3Low62.4Low164 Ų164128.7 Ų128.777%0.76670%0.703SS**PPolyproline II helixtrans-51129.1176.9-74.1-75.2150.600111.3P13 H17P13-E15 PolarHBondContact O-N 3.36Å; E15-H17 PolarHBondContact O-N 3.36Å
16P56.7Low64.6Low105 Ų105126.7 Ų126.768%0.68270%0.696SS**PPolyproline II helixtrans-65122.517127.7-31.5000108.5Q18P16-Q18 PolarHBondContact O-N 3.18Å
17H59.8Low66Low178 Ų178129 Ų12982%0.82469%0.688SS**  trans-51.7105.5176.11.6-71.9000109E15 P19E15-H17 PolarHBondContact O-N 3.36Å; H17-P19 WeakPolarHBondContact O-CD 3.46Å
18Q74.6Confident67.4Low178 Ų178125 Ų12583%0.83268%0.675SS**PPolyproline II helixtrans-66.2118.3179.2-149.1164.414.200107.6P16 L20P16-Q18 PolarHBondContact O-N 3.18Å; Q18-L20 PolarHBondContact O-N 2.76Å
19P76.2Confident69.1Low113 Ų113123.1 Ų123.173%0.73467%0.67SS**PPolyproline II helixtrans-64.3122.5-179.824.3-31000108.7H17 T21H17-P19 WeakPolarHBondContact O-CD 3.46Å; P19-T21 PolarHBondContact O-N 3.48Å
20L81.9Confident71Confident90 Ų90121.7 Ų121.747%0.47167%0.666SS.*PPolyproline II helixtrans-49.7126.3179.1-110.573.4000110.2Q18 D24 F25 L28Q18-L20 PolarHBondContact O-N 2.76Å; L20-D24 HydrophobicContact CB-CB 4.38Å; L20-D24 HydrophobicContact CD2-CB 4.08Å; L20-D24 HydrophobicContact CG-CB 3.75Å; L20-F25 HydrophobicContact CB-CD2 4.16Å; L20-F25 HydrophobicContact CB-CE2 3.55Å; L20-F25 HydrophobicContact CB-CZ 3.82Å; L20-F25 HydrophobicContact CD2-CD1 4.15Å; L20-F25 HydrophobicContact CD2-CD2 4.42Å; L20-F25 HydrophobicContact CD2-CE1 3.88Å; L20-F25 HydrophobicContact CD2-CE2 4.18Å; L20-F25 HydrophobicContact CD2-CG 4.41Å; L20-F25 HydrophobicContact CD2-CZ 3.9Å; L20-L28 HydrophobicContact CD2-CD1 4.28Å
21T84.3Confident72.7Confident77 Ų77117.4 Ų117.447%0.47265%0.654SS.*PPolyproline II helixtrans-76.5157.9174.661.40000110.3P19 A23 D24 F25P19-T21 PolarHBondContact O-N 3.48Å; T21-A23 PolarHBondContact O-N 2.89Å; T21-D24 PolarHBondContact N-OD2 2.97Å; T21-D24 WeakPolarHBondContact O-CB 3.47Å; T21-D24 PolarHBondContact O-N 3.12Å; T21-D24 PolarHBondContact OG1-N 2.98Å; T21-D24 PolarHBondContact OG1-OD2 3.07Å; T21-F25 WeakPolarHBondContact O-CD2 3.38Å; T21-F25 PolarHBondContact O-N 3.19Å
22N86.2Confident73.7Confident135 Ų135116.8 Ų116.872%0.72265%0.653SS**Hα-helixtrans-55.6-22.8172.6-79.1-8.6000112.8R26N22-R26 WeakPolarHBondContact O-CG 3.42Å; N22-R26 PolarHBondContact O-N 3.15Å; N22-R26 VanDerWaalsContact O-N 3.16Å
23A88.1Confident74.2Confident60 Ų60124.9 Ų124.950%0.49667%0.668SS.*Hα-helixtrans-70.8-36.1172.600000112.7T21 R26 K27T21-A23 PolarHBondContact O-N 2.89Å; A23-R26 PolarHBondContact O-N 3.1Å; A23-K27 PolarHBondContact O-N 3.38Å
24D86.5Confident75.1Confident65 Ų65125.6 Ų125.635%0.34867%0.672SS.*Hα-helixtrans-71.2-38.5176.4-63.7-44.6000111.7L20 T21 R26 K27 L28L20-D24 HydrophobicContact CB-CB 4.38Å; L20-D24 HydrophobicContact CD2-CB 4.08Å; L20-D24 HydrophobicContact CG-CB 3.75Å; T21-D24 PolarHBondContact N-OD2 2.97Å; T21-D24 WeakPolarHBondContact O-CB 3.47Å; T21-D24 PolarHBondContact O-N 3.12Å; T21-D24 PolarHBondContact OG1-N 2.98Å; T21-D24 PolarHBondContact OG1-OD2 3.07Å; D24-R26 VanDerWaalsContact C-N 3.32Å; D24-R26 PolarHBondContact O-N 3.07Å; D24-K27 WeakPolarHBondContact O-CB 3.42Å; D24-K27 PolarHBondContact O-N 2.62Å; D24-L28 PolarHBondContact O-N 3.24Å
25F85.9Confident74.7Confident106 Ų106126 Ų12647%0.46568%0.676SS.*Hα-helixtrans-62.6-39.1171.7-73.2-72000112.2L20 T21 K27 L28 L29L20-F25 HydrophobicContact CB-CD2 4.16Å; L20-F25 HydrophobicContact CB-CE2 3.55Å; L20-F25 HydrophobicContact CB-CZ 3.82Å; L20-F25 HydrophobicContact CD2-CD1 4.15Å; L20-F25 HydrophobicContact CD2-CD2 4.42Å; L20-F25 HydrophobicContact CD2-CE1 3.88Å; L20-F25 HydrophobicContact CD2-CE2 4.18Å; L20-F25 HydrophobicContact CD2-CG 4.41Å; L20-F25 HydrophobicContact CD2-CZ 3.9Å; T21-F25 WeakPolarHBondContact O-CD2 3.38Å; T21-F25 PolarHBondContact O-N 3.19Å; F25-K27 VanDerWaalsContact C-N 3.33Å; F25-K27 PolarHBondContact O-N 2.96Å; F25-L28 PolarHBondContact O-N 3.08Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.45Å
26R90.4Very high74.3Confident197 Ų197122.8 Ų122.874%0.74368%0.677SS**Hα-helixtrans-63.1-39173.1-78.2177.2166.9170.3-2.5112N22 A23 D24 A30N22-R26 WeakPolarHBondContact O-CG 3.42Å; N22-R26 PolarHBondContact O-N 3.15Å; N22-R26 VanDerWaalsContact O-N 3.16Å; A23-R26 PolarHBondContact O-N 3.1Å; D24-R26 VanDerWaalsContact C-N 3.32Å; D24-R26 PolarHBondContact O-N 3.07Å; R26-A30 VanDerWaalsContact O-CB 3.25Å; R26-A30 WeakPolarHBondContact O-CB 3.22Å; R26-A30 PolarHBondContact O-N 3.11Å
27K85.7Confident73.7Confident147 Ų147122.7 Ų122.764%0.63968%0.679SS**Hα-helixtrans-63.8-43.9173-84.3179.8175.8175.50112.1A23 D24 F25 L29 A30 T31A23-K27 PolarHBondContact O-N 3.38Å; D24-K27 WeakPolarHBondContact O-CB 3.42Å; D24-K27 PolarHBondContact O-N 2.62Å; F25-K27 VanDerWaalsContact C-N 3.33Å; F25-K27 PolarHBondContact O-N 2.96Å; K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.42Å; K27-A30 PolarHBondContact O-N 2.97Å; K27-A30 VanDerWaalsContact O-N 3.14Å; K27-T31 WeakPolarHBondContact O-CG2 3.31Å; K27-T31 PolarHBondContact O-N 2.97Å; K27-T31 PolarHBondContact O-OG1 3.04Å
28L81Confident72.7Confident115 Ų115119.5 Ų119.560%0.60268%0.677SS**Hα-helixtrans-64.6-34.1-179.5-127161.3000112.5L20 D24 F25 T31L20-L28 HydrophobicContact CD2-CD1 4.28Å; D24-L28 PolarHBondContact O-N 3.24Å; F25-L28 PolarHBondContact O-N 3.08Å; L28-T31 PolarHBondContact O-OG1 3.3Å
29L84.2Confident71.1Confident155 Ų155115.3 Ų115.381%0.81267%0.673SS**Hα-helixtrans-78.7-26.9173.7-69.4173.9000113.2F25 K27F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.45Å; K27-L29 VanDerWaalsContact C-N 3.3Å; K27-L29 PolarHBondContact O-N 3.42Å
30A85.1Confident69.5Low80 Ų80114.7 Ų114.766%0.66167%0.671SS**Hα-helixtrans-80.6-20.1177.800000113.3R26 K27 P32R26-A30 VanDerWaalsContact O-CB 3.25Å; R26-A30 WeakPolarHBondContact O-CB 3.22Å; R26-A30 PolarHBondContact O-N 3.11Å; K27-A30 PolarHBondContact O-N 2.97Å; K27-A30 VanDerWaalsContact O-N 3.14Å; A30-P32 WeakPolarHBondContact O-CD 3.45Å
31T76.6Confident67.6Low90 Ų90119.7 Ų119.755%0.55269%0.692SS**SBendtrans-77.7117.5176.947.20000111.3K27 L28 R33K27-T31 WeakPolarHBondContact O-CG2 3.31Å; K27-T31 PolarHBondContact O-N 2.97Å; K27-T31 PolarHBondContact O-OG1 3.04Å; L28-T31 PolarHBondContact O-OG1 3.3Å; T31-R33 PolarHBondContact O-N 2.71Å
32P68.6Low65.6Low120 Ų120124.6 Ų124.678%0.77971%0.709SS**PPolyproline II helixtrans-65.2126175.325.9-31.9000110.1A30A30-P32 WeakPolarHBondContact O-CD 3.45Å
33R59.3Low63.4Low242 Ų242124.5 Ų124.591%0.91371%0.714SS**PPolyproline II helixtrans-63.8125.5178.2-165.8177.3-176.2-157.50.9109.9T31T31-R33 PolarHBondContact O-N 2.71Å
34P64.5Low61.3Low119 Ų119128 Ų12877%0.77373%0.729SS**PPolyproline II helixtrans-72.4133.6175.427.8-32000110.7
35A39.4Very low59.2Low109 Ų109131.7 Ų131.790%0.90175%0.754SS**PPolyproline II helixtrans-79.9120.8175.700000110.4
36A44.7Very low57.2Low97 Ų97132.3 Ų132.380%0.80277%0.771SS**  trans-116.9113.8172.200000110.7
37S43.7Very low55Low103 Ų103128 Ų12872%0.7277%0.771SS**  trans-6.5133.1154.957.70000121
38S40.7Very low52.9Low111 Ų111133 Ų13378%0.77679%0.786SS**  trans60.7117.7130.966.10000121
39A40.8Very low51.2Low91 Ų91131.6 Ų131.675%0.75279%0.786SS**  165.6117.6104.700000112.6
40S41.3Very low49.3Very low100 Ų100132 Ų13270%0.69978%0.784SS**  trans32120.214659.50000122.4
41H43.2Very low47.3Very low195 Ų195139.5 Ų139.590%0.90380%0.795SS**  -162.1133.8112.3-96.7-46.8000111.7
42Q41.9Very low45.6Very low179 Ų179139.2 Ų139.284%0.83681%0.81SS**  trans-94.1150-177.5-60.7172.310.100110.6
43T40.6Very low44.3Very low134 Ų134137.6 Ų137.682%0.82282%0.815SS**  -178.2108.9125.235.70000112.3
44V42.3Very low43.5Very low132 Ų132134.9 Ų134.980%0.881%0.813SS**  trans16.1130.3144.1-59.80000122.3
45T43.2Very low42.6Very low144 Ų144140.2 Ų140.288%0.88382%0.824SS**  -163.5135.4108.448.80000112.6
46S44Very low42.7Very low118 Ų118138.6 Ų138.683%0.82582%0.818SS**  trans-49.1165.2170.8-94.70000114.8
47S43.6Very low42.5Very low107 Ų107144.7 Ų144.775%0.74883%0.827SS**  cis-177.5147.80.8460000106.1
48R42.2Very low42.5Very low251 Ų251143.6 Ų143.695%0.94783%0.832SS**  trans177.5116.6131.2-154.7154.7176.5165.1-3.7110.8
49S44.4Very low42.6Very low87 Ų87146.5 Ų146.561%0.60883%0.832SS**  trans-83.5157.2178.378.10000112.4
50H46Very low43.1Very low163 Ų163150.1 Ų150.176%0.75584%0.839SS**  -163.9118.4115.1-89.7-17.9000112.7
51R42.6Very low43.6Very low237 Ų237153.4 Ų153.489%0.89484%0.841SS**  trans44.5132.5137.7-62.9178.9171.9-175.4-2.6119
52G41Very low43.7Very low84 Ų84153.2 Ų153.287%0.86684%0.838SS**  cis132.2130.712.900000109.9
53G40.7Very low44Very low87 Ų87154.8 Ų154.890%0.89784%0.842SS**  trans15283.416700000116.2
54Q43.8Very low44.2Very low184 Ų184158.8 Ų158.886%0.8685%0.848SS**  trans-123.2130.8165.6-100.7179.830.300108
55F44.2Very low44.6Very low231 Ų231160.7 Ų160.7100%1.01385%0.848SS**  trans-170.9140.6153.1-83.9-72.4000105.8
56G42.5Very low44.7Very low75 Ų75160.9 Ų160.977%0.77384%0.843SS**  cis174.2130.7-0.100000105.2
57K40.3Very low44.7Very low225 Ų225164.5 Ų164.598%0.97884%0.84SS**  trans-81.6126.1177.7-83.2-179.9172.2177.80109.9
58G44.5Very low45Very low80 Ų80169.3 Ų169.383%0.82584%0.842SS**  trans-123.4134.8167.200000109.7
59H42.7Very low45.3Very low172 Ų172161.6 Ų161.680%0.79682%0.824SS**  trans-104.2123.6-164.7-151.6-67.7000108.7
60D50.9Low45.6Very low167 Ų167163.7 Ų163.789%0.89382%0.822SS**  trans-139.1141.8166.7-95.4-42.3000113.4
61K50.8Low46.2Very low170 Ų170160.3 Ų160.374%0.73981%0.813SS**  trans-91.7142.5-155.3-69.5163.2178.7164.30112.2
62K45.5Very low46.9Very low191 Ų191155.8 Ų155.883%0.8380%0.802SS**  trans48115137.4-60.9175.3-179.3-179.80117.7
63K47.6Very low47.9Very low212 Ų212157.5 Ų157.592%0.92279%0.787SS**  -147126.1121.5-68.6-162.6-178174.20109.4
64K46.2Very low49.2Very low218 Ų218158.9 Ų158.995%0.94877%0.769SS**  trans-73.4128.8175.7-64.8177175.2-177.30108.6
65H49.8Very low50.9Low172 Ų172154.7 Ų154.780%0.79675%0.753SS**  trans-113.4131.9157.4-176.9-84.6000108.1
66N45.3Very low52.5Low147 Ų147149.3 Ų149.379%0.78673%0.731SS**  trans-79.7115.3-170.5-157.132000108.9
67Y43.5Very low54.1Low194 Ų194151.4 Ų151.476%0.76172%0.723SS**  trans-154.3112157.9-140.1-100.1000111.3
68R50.2Low56Low208 Ų208145 Ų14579%0.78570%0.7SS**  trans41.5144.5160-77.4-177.3167.2-162.5-3.7120.9F70R68-F70 PolarHBondContact O-N 2.99Å
69P49.2Very low57.8Low89 Ų89146 Ų14658%0.57868%0.683SS**  trans-74.3125.2-161.98.76.5000110.9V71P69-V71 HydrophobicContact CB-CB 4.49Å; P69-V71 HydrophobicContact CB-CG2 4.11Å; P69-V71 PolarHBondContact O-N 2.9Å
70F50.6Low59.6Low131 Ų131142.5 Ų142.558%0.57567%0.669SS**THydrogen-bonded Turntrans-59.613.4170-170.3-103.8000114.4R68 E73 K74R68-F70 PolarHBondContact O-N 2.99Å; F70-E73 HydrophobicContact CD2-CB 4.35Å; F70-E73 WeakPolarHBondContact CD2-OE2 3.46Å; F70-E73 HydrophobicContact CE2-CB 4.47Å; F70-E73 VanDerWaalsContact CE2-OE2 3.27Å; F70-E73 WeakPolarHBondContact CE2-OE2 3.13Å; F70-K74 HydrophobicContact CD1-CD 4.28Å; F70-K74 HydrophobicContact CD1-CG 4.07Å; F70-K74 HydrophobicContact CE1-CD 4.27Å; F70-K74 HydrophobicContact CE1-CG 3.86Å
71V59Low61Low92 Ų92140.5 Ų140.556%0.55866%0.657SS**Hα-helixtrans-82.5-41.8-175.6-175.20000110.1P69 E73 K74 D75P69-V71 HydrophobicContact CB-CB 4.49Å; P69-V71 HydrophobicContact CB-CG2 4.11Å; P69-V71 PolarHBondContact O-N 2.9Å; V71-E73 PolarHBondContact O-N 3.18Å; V71-K74 PolarHBondContact O-N 3.37Å; V71-K74 VanDerWaalsContact O-N 3.16Å; V71-D75 PolarHBondContact O-N 2.75Å
72E57Low62.3Low143 Ų143138.6 Ų138.667%0.66866%0.655SS**Hα-helixtrans-67.5-36.4177-71.1171.217800111.4K74 D75 E76E72-K74 VanDerWaalsContact C-N 3.26Å; E72-K74 PolarHBondContact O-N 3.01Å; E72-D75 PolarHBondContact O-N 3.35Å; E72-E76 WeakPolarHBondContact O-CG 3.18Å; E72-E76 PolarHBondContact O-N 3.26Å
73E60.9Low64.1Low119 Ų119138.7 Ų138.756%0.55665%0.65SS**Hα-helixtrans-64-29.2173.8-100.5-177.9172.300112.7F70 V71 L77F70-E73 HydrophobicContact CD2-CB 4.35Å; F70-E73 WeakPolarHBondContact CD2-OE2 3.46Å; F70-E73 HydrophobicContact CE2-CB 4.47Å; F70-E73 VanDerWaalsContact CE2-OE2 3.27Å; F70-E73 WeakPolarHBondContact CE2-OE2 3.13Å; V71-E73 PolarHBondContact O-N 3.18Å; E73-L77 WeakPolarHBondContact O-CB 3.29Å; E73-L77 PolarHBondContact O-N 3.01Å
74K69.9Low65.6Low116 Ų116137.1 Ų137.150%0.50464%0.64SS.*Hα-helixtrans-73.1-37.8175.4-81.5-177.5177.4176.80112F70 V71 E72 L77 L78F70-K74 HydrophobicContact CD1-CD 4.28Å; F70-K74 HydrophobicContact CD1-CG 4.07Å; F70-K74 HydrophobicContact CE1-CD 4.27Å; F70-K74 HydrophobicContact CE1-CG 3.86Å; V71-K74 PolarHBondContact O-N 3.37Å; V71-K74 VanDerWaalsContact O-N 3.16Å; E72-K74 VanDerWaalsContact C-N 3.26Å; E72-K74 PolarHBondContact O-N 3.01Å; K74-L77 PolarHBondContact O-N 3.37Å; K74-L78 VanDerWaalsContact O-CB 3.26Å; K74-L78 WeakPolarHBondContact O-CB 3.28Å; K74-L78 WeakPolarHBondContact O-CD1 3.49Å; K74-L78 WeakPolarHBondContact O-CG 3.29Å; K74-L78 PolarHBondContact O-N 2.96Å
75D77.8Confident67.3Low97 Ų97135.2 Ų135.252%0.51963%0.627SS.*Hα-helixtrans-71-39.9177.9-66.6-20.5000110.1V71 E72 L78 E79V71-D75 PolarHBondContact O-N 2.75Å; E72-D75 PolarHBondContact O-N 3.35Å; D75-L78 PolarHBondContact O-N 2.96Å; D75-E79 VanDerWaalsContact O-CB 3.28Å; D75-E79 WeakPolarHBondContact O-CB 3.35Å; D75-E79 PolarHBondContact O-N 3.41Å
76E78.2Confident68.6Low118 Ų118130.7 Ų130.755%0.55161%0.608SS**Hα-helixtrans-63-42170-72.4179.4-178.500111.7E72 E79 I80E72-E76 WeakPolarHBondContact O-CG 3.18Å; E72-E76 PolarHBondContact O-N 3.26Å; E76-E79 PolarHBondContact O-N 3.3Å; E76-I80 WeakPolarHBondContact O-CB 3.27Å; E76-I80 WeakPolarHBondContact O-CD1 3.37Å; E76-I80 WeakPolarHBondContact O-CG1 3.28Å; E76-I80 PolarHBondContact O-N 2.91Å
77L75.8Confident70.4Confident119 Ų119131.7 Ų131.762%0.62360%0.601SS**Hα-helixtrans-69.9-35.2178.1-155.676.3000112.1E73 K74 L81E73-L77 WeakPolarHBondContact O-CB 3.29Å; E73-L77 PolarHBondContact O-N 3.01Å; K74-L77 PolarHBondContact O-N 3.37Å; L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 PolarHBondContact O-N 3.26Å
78L81.8Confident72Confident91 Ų91124.7 Ų124.748%0.47658%0.583SS.*Hα-helixtrans-66.5-40170.9-86.4156.9000110.9K74 D75 L81 N82K74-L78 VanDerWaalsContact O-CB 3.26Å; K74-L78 WeakPolarHBondContact O-CB 3.28Å; K74-L78 WeakPolarHBondContact O-CD1 3.49Å; K74-L78 WeakPolarHBondContact O-CG 3.29Å; K74-L78 PolarHBondContact O-N 2.96Å; D75-L78 PolarHBondContact O-N 2.96Å; L78-L81 PolarHBondContact O-N 3Å; L78-N82 VanDerWaalsContact O-CB 3.26Å; L78-N82 WeakPolarHBondContact O-CB 3.48Å; L78-N82 PolarHBondContact O-N 2.65Å; L78-N82 PolarHBondContact O-ND2 3.37Å
79E82Confident73.5Confident101 Ų101119.6 Ų119.647%0.47257%0.567SS.*Hα-helixtrans-68.6-37.6176.6-163.6170.5171.900111.5D75 E76 R83D75-E79 VanDerWaalsContact O-CB 3.28Å; D75-E79 WeakPolarHBondContact O-CB 3.35Å; D75-E79 PolarHBondContact O-N 3.41Å; E76-E79 PolarHBondContact O-N 3.3Å; E79-R83 WeakPolarHBondContact O-CB 3.16Å; E79-R83 WeakPolarHBondContact O-CG 3.19Å; E79-R83 PolarHBondContact O-N 2.94Å; E79-R83 IonicContact OE1-CZ 2.75Å; E79-R83 IonicContact OE1-NE 3.94Å; E79-R83 IonicContact OE1-NH2 3.97Å; E79-R83 PolarHBondContact OE1-NH2 2.72Å
80I79.8Confident74.9Confident98 Ų98118.6 Ų118.650%0.50355%0.554SS.*Hα-helixtrans-66.4-42.4170.8-67.3162.7000110.6E76 N82 R83 Y84E76-I80 WeakPolarHBondContact O-CB 3.27Å; E76-I80 WeakPolarHBondContact O-CD1 3.37Å; E76-I80 WeakPolarHBondContact O-CG1 3.28Å; E76-I80 PolarHBondContact O-N 2.91Å; I80-N82 VanDerWaalsContact C-N 3.34Å; I80-N82 PolarHBondContact O-N 2.91Å; I80-R83 CarbonylContact O-C 3.55Å; I80-R83 PolarHBondContact O-N 3.49Å; I80-Y84 WeakPolarHBondContact O-CB 3.34Å; I80-Y84 PolarHBondContact O-N 3.35Å
81L79.4Confident76.3Confident124 Ų124120.4 Ų120.465%0.64956%0.557SS**Hα-helixtrans-66.8-35.8178.5-162.275.2000111.8L77 L78 Y84L77-L81 WeakPolarHBondContact O-CB 3.37Å; L77-L81 PolarHBondContact O-N 3.26Å; L78-L81 PolarHBondContact O-N 3Å; L81-Y84 PolarHBondContact O-N 2.91Å
82N78.6Confident77.2Confident131 Ų131124.6 Ų124.670%0.70156%0.563SS**Hα-helixtrans-71.3-32174.8-72.5-23.6000112.2L78 I80L78-N82 VanDerWaalsContact O-CB 3.26Å; L78-N82 WeakPolarHBondContact O-CB 3.48Å; L78-N82 PolarHBondContact O-N 2.65Å; L78-N82 PolarHBondContact O-ND2 3.37Å; I80-N82 VanDerWaalsContact C-N 3.34Å; I80-N82 PolarHBondContact O-N 2.91Å
83R82.8Confident78.1Confident193 Ų193122.3 Ų122.373%0.72855%0.552SS**Hα-helixtrans-80.3-16.4171.8-70.3-177.7-159.7-148.78.2113.1E79 I80 R85E79-R83 WeakPolarHBondContact O-CB 3.16Å; E79-R83 WeakPolarHBondContact O-CG 3.19Å; E79-R83 PolarHBondContact O-N 2.94Å; E79-R83 IonicContact OE1-CZ 2.75Å; E79-R83 IonicContact OE1-NE 3.94Å; E79-R83 IonicContact OE1-NH2 3.97Å; E79-R83 PolarHBondContact OE1-NH2 2.72Å; I80-R83 CarbonylContact O-C 3.55Å; I80-R83 PolarHBondContact O-N 3.49Å; R83-R85 PolarHBondContact O-N 2.89Å; R83-R85 VanDerWaalsContact O-N 3.12Å
84Y80Confident78.4Confident178 Ų178118 Ų11870%0.69854%0.54SS*.SBendtrans-74.8103.3178.3-144.2-89.2000110I80 L81 D86I80-Y84 WeakPolarHBondContact O-CB 3.34Å; I80-Y84 PolarHBondContact O-N 3.35Å; L81-Y84 PolarHBondContact O-N 2.91Å; Y84-D86 PolarHBondContact O-N 3.47Å
85R81.2Confident78Confident178 Ų178119.3 Ų119.367%0.67255%0.548SS*.  trans-68.596.5173.5-170.6175.9170.5129.512109.1R83 R87 E90R83-R85 PolarHBondContact O-N 2.89Å; R83-R85 VanDerWaalsContact O-N 3.12Å; R85-R87 VanDerWaalsContact C-N 3.3Å; R85-R87 PolarHBondContact O-N 3.48Å; R85-E90 WeakPolarHBondContact CD-OE1 3.39Å; R85-E90 WeakPolarHBondContact CG-OE1 3.36Å; R85-E90 IonicContact CZ-OE1 2.81Å; R85-E90 IonicContact CZ-OE2 2.75Å; R85-E90 VanDerWaalsContact CZ-OE2 3.22Å; R85-E90 IonicContact NE-OE1 3.68Å; R85-E90 PolarHBondContact NE-OE1 2.91Å; R85-E90 IonicContact NE-OE2 3.03Å; R85-E90 PolarHBondContact NE-OE2 3.39Å; R85-E90 IonicContact NH1-OE1 2.96Å; R85-E90 VanDerWaalsContact NH2-CD 3.27Å; R85-E90 IonicContact NH2-OE1 3.78Å; R85-E90 PolarHBondContact NH2-OE1 3.12Å; R85-E90 IonicContact NH2-OE2 3.05Å; R85-E90 PolarHBondContact NH2-OE2 2.95Å
86D77.5Confident77.1Confident77 Ų77119.5 Ų119.541%0.41255%0.548SS..  trans-70.287.6178.5-173.7-9.1000109.9Y84 A88 K89 E90Y84-D86 PolarHBondContact O-N 3.47Å; D86-A88 PolarHBondContact O-N 3.4Å; D86-A88 VanDerWaalsContact O-N 3.11Å; D86-A88 WeakPolarHBondContact OD1-CB 3.45Å; D86-A88 PolarHBondContact OD1-N 2.92Å; D86-A88 VanDerWaalsContact OD1-N 3.09Å; D86-K89 HydrophobicContact CB-CB 3.71Å; D86-K89 VanDerWaalsContact CG-CB 3.44Å; D86-K89 CarbonylContact O-C 3.5Å; D86-K89 WeakPolarHBondContact O-CA 3.41Å; D86-K89 WeakPolarHBondContact O-CB 3.36Å; D86-K89 PolarHBondContact O-N 3.47Å; D86-K89 PolarHBondContact OD1-N 2.97Å; D86-K89 WeakPolarHBondContact OD2-CB 3.44Å; D86-E90 PolarHBondContact O-N 3.27Å
87R84Confident76.4Confident169 Ų169120.1 Ų120.164%0.63855%0.549SS*.Hα-helixtrans-61.4-19.1-179.4-160.5-179.7-91.7-167.9-6.9112.3R85 R91R85-R87 VanDerWaalsContact C-N 3.3Å; R85-R87 PolarHBondContact O-N 3.48Å; R87-R91 WeakPolarHBondContact O-CG 3.39Å; R87-R91 PolarHBondContact O-N 3.45Å; R87-R91 PolarHBondContact O-NH1 3.39Å
88A77.5Confident75.6Confident46 Ų46121 Ų12138%0.3855%0.55SS..Hα-helixtrans-83.1-32.4173.100000112.1D86 R92D86-A88 PolarHBondContact O-N 3.4Å; D86-A88 VanDerWaalsContact O-N 3.11Å; D86-A88 WeakPolarHBondContact OD1-CB 3.45Å; D86-A88 PolarHBondContact OD1-N 2.92Å; D86-A88 VanDerWaalsContact OD1-N 3.09Å; A88-R92 PolarHBondContact O-N 2.76Å; A88-R92 PolarHBondContact O-NE 2.96Å
89K81.7Confident74.7Confident101 Ų101119.7 Ų119.744%0.43954%0.544SS..Hα-helixtrans-68.1-42166.5-174.6177.1174.2-173.80111D86 R91 R92 E93D86-K89 HydrophobicContact CB-CB 3.71Å; D86-K89 VanDerWaalsContact CG-CB 3.44Å; D86-K89 CarbonylContact O-C 3.5Å; D86-K89 WeakPolarHBondContact O-CA 3.41Å; D86-K89 WeakPolarHBondContact O-CB 3.36Å; D86-K89 PolarHBondContact O-N 3.47Å; D86-K89 PolarHBondContact OD1-N 2.97Å; D86-K89 WeakPolarHBondContact OD2-CB 3.44Å; K89-R91 VanDerWaalsContact C-N 3.34Å; K89-R91 PolarHBondContact O-N 3.17Å; K89-R92 CarbonylContact O-C 3.52Å; K89-R92 PolarHBondContact O-N 3.13Å; K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 VanDerWaalsContact CE-OE2 3.26Å; K89-E93 WeakPolarHBondContact CE-OE2 3.29Å; K89-E93 HydrophobicContact CG-CG 3.95Å; K89-E93 IonicContact NZ-OE1 2.85Å; K89-E93 WeakPolarHBondContact O-CB 3.25Å; K89-E93 PolarHBondContact O-N 3.34Å
90E76.7Confident73.9Confident69 Ų69120 Ų12032%0.32255%0.545SS..Hα-helixtrans-65.9-31.6176.5-70.6-172.9162.300113.8R85 D86 G94R85-E90 WeakPolarHBondContact CD-OE1 3.39Å; R85-E90 WeakPolarHBondContact CG-OE1 3.36Å; R85-E90 IonicContact CZ-OE1 2.81Å; R85-E90 IonicContact CZ-OE2 2.75Å; R85-E90 VanDerWaalsContact CZ-OE2 3.22Å; R85-E90 IonicContact NE-OE1 3.68Å; R85-E90 PolarHBondContact NE-OE1 2.91Å; R85-E90 IonicContact NE-OE2 3.03Å; R85-E90 PolarHBondContact NE-OE2 3.39Å; R85-E90 IonicContact NH1-OE1 2.96Å; R85-E90 VanDerWaalsContact NH2-CD 3.27Å; R85-E90 IonicContact NH2-OE1 3.78Å; R85-E90 PolarHBondContact NH2-OE1 3.12Å; R85-E90 IonicContact NH2-OE2 3.05Å; R85-E90 PolarHBondContact NH2-OE2 2.95Å; D86-E90 PolarHBondContact O-N 3.27Å; E90-G94 VanDerWaalsContact O-CA 3.25Å; E90-G94 WeakPolarHBondContact O-CA 3.37Å; E90-G94 PolarHBondContact O-N 3.44Å
91R80.2Confident73.1Confident168 Ų168121.4 Ų121.463%0.63455%0.55SS*.Hα-helixtrans-69.6-34170.7-73.2-175.2-160.1103.6-10.3112.3R87 K89R87-R91 WeakPolarHBondContact O-CG 3.39Å; R87-R91 PolarHBondContact O-N 3.45Å; R87-R91 PolarHBondContact O-NH1 3.39Å; K89-R91 VanDerWaalsContact C-N 3.34Å; K89-R91 PolarHBondContact O-N 3.17Å
92R78.1Confident72.3Confident180 Ų180121.6 Ų121.668%0.67955%0.547SS*.Hα-helixtrans-77.2-40.5176.2-82.6-175.8-78.9-176.6-3.2112.9A88 K89A88-R92 PolarHBondContact O-N 2.76Å; A88-R92 PolarHBondContact O-NE 2.96Å; K89-R92 CarbonylContact O-C 3.52Å; K89-R92 PolarHBondContact O-N 3.13Å
93E77Confident71.7Confident95 Ų95119.8 Ų119.844%0.44454%0.536SS..Hα-helixtrans-83.8-27.6-179.6-72-171.9164.700112K89 L96 K97K89-E93 WeakPolarHBondContact CE-OE1 3.34Å; K89-E93 VanDerWaalsContact CE-OE2 3.26Å; K89-E93 WeakPolarHBondContact CE-OE2 3.29Å; K89-E93 HydrophobicContact CG-CG 3.95Å; K89-E93 IonicContact NZ-OE1 2.85Å; K89-E93 WeakPolarHBondContact O-CB 3.25Å; K89-E93 PolarHBondContact O-N 3.34Å; E93-L96 CarbonylContact O-C 3.54Å; E93-L96 PolarHBondContact O-N 3.27Å; E93-L96 VanDerWaalsContact O-N 3.15Å; E93-K97 WeakPolarHBondContact O-CB 3.4Å; E93-K97 PolarHBondContact O-N 2.73Å
94G66.5Low71.1Confident28 Ų28115.2 Ų115.229%0.28953%0.526SS..Hα-helixtrans-62.1-46.4175.500000111.5E90 L96 K97 E98E90-G94 VanDerWaalsContact O-CA 3.25Å; E90-G94 WeakPolarHBondContact O-CA 3.37Å; E90-G94 PolarHBondContact O-N 3.44Å; G94-L96 PolarHBondContact O-N 3.01Å; G94-K97 PolarHBondContact O-N 3.02Å; G94-E98 WeakPolarHBondContact O-CG 3.43Å; G94-E98 PolarHBondContact O-N 3.16Å
95E60.9Low70.5Confident145 Ų145109.2 Ų109.268%0.67851%0.514SS*.Hα-helixtrans-64.7-30.2173.6-143.3171.9-160.900111.6N99E95-N99 VanDerWaalsContact O-CG 3.26Å; E95-N99 PolarHBondContact O-N 3.48Å; E95-N99 PolarHBondContact O-ND2 3.39Å
96L60.2Low69.7Low101 Ų101106 Ų10653%0.52951%0.509SS..Hα-helixtrans-79.2-34.1176.7-147.7109.9000113E93 G94 N99 E100E93-L96 CarbonylContact O-C 3.54Å; E93-L96 PolarHBondContact O-N 3.27Å; E93-L96 VanDerWaalsContact O-N 3.15Å; G94-L96 PolarHBondContact O-N 3.01Å; L96-N99 PolarHBondContact O-N 3.41Å; L96-E100 WeakPolarHBondContact O-CG 3.33Å; L96-E100 PolarHBondContact O-N 2.87Å
97K63.2Low69.1Low131 Ų131105.4 Ų105.457%0.5751%0.514SS*.Hα-helixtrans-76.5-38.5-179.2-125.6173.2-178.5177.90111.5E93 G94 N99 E100 E101E93-K97 WeakPolarHBondContact O-CB 3.4Å; E93-K97 PolarHBondContact O-N 2.73Å; G94-K97 PolarHBondContact O-N 3.02Å; K97-N99 VanDerWaalsContact C-N 3.26Å; K97-N99 PolarHBondContact O-N 3.45Å; K97-E100 PolarHBondContact O-N 3.4Å; K97-E101 WeakPolarHBondContact O-CB 3.36Å; K97-E101 WeakPolarHBondContact O-CG 3.29Å; K97-E101 PolarHBondContact O-N 2.89Å
98E58.9Low68.1Low136 Ų136103.3 Ų103.364%0.63652%0.516SS*.Hα-helixtrans-60.7-40.4171.1-72.1176.9-178.300110.2G94 E101 E102G94-E98 WeakPolarHBondContact O-CG 3.43Å; G94-E98 PolarHBondContact O-N 3.16Å; E98-E101 PolarHBondContact O-N 3.01Å; E98-E102 WeakPolarHBondContact O-CB 3.21Å; E98-E102 PolarHBondContact O-N 2.98Å
99N63.2Low67.3Low65 Ų65106 Ų10635%0.34853%0.528SS..Hα-helixtrans-67.7-40.4173.7-74.1-2.4000113.2E95 L96 K97 E102 I103E95-N99 VanDerWaalsContact O-CG 3.26Å; E95-N99 PolarHBondContact O-N 3.48Å; E95-N99 PolarHBondContact O-ND2 3.39Å; L96-N99 PolarHBondContact O-N 3.41Å; K97-N99 VanDerWaalsContact C-N 3.26Å; K97-N99 PolarHBondContact O-N 3.45Å; N99-E102 PolarHBondContact O-N 3.26Å; N99-I103 WeakPolarHBondContact O-CB 3.17Å; N99-I103 WeakPolarHBondContact O-CD1 3.38Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 2.61Å
100E64.6Low66.2Low107 Ų107107.7 Ų107.750%0.554%0.542SS..Hα-helixtrans-68-36.4176.1-79.7-173170.100112.4L96 K97 I103 N104L96-E100 WeakPolarHBondContact O-CG 3.33Å; L96-E100 PolarHBondContact O-N 2.87Å; K97-E100 PolarHBondContact O-N 3.4Å; E100-I103 PolarHBondContact O-N 3.46Å; E100-N104 VanDerWaalsContact O-CB 3.29Å; E100-N104 WeakPolarHBondContact O-CB 3.39Å; E100-N104 VanDerWaalsContact O-CG 3.23Å; E100-N104 PolarHBondContact O-N 2.88Å; E100-N104 PolarHBondContact O-ND2 2.73Å; E100-N104 VanDerWaalsContact O-ND2 3.08Å
101E64.1Low65.1Low128 Ų128109.2 Ų109.260%0.59856%0.56SS**Hα-helixtrans-70.1-38.6175.3-74178.2-169.700111.4K97 E98 N104 A105K97-E101 WeakPolarHBondContact O-CB 3.36Å; K97-E101 WeakPolarHBondContact O-CG 3.29Å; K97-E101 PolarHBondContact O-N 2.89Å; E98-E101 PolarHBondContact O-N 3.01Å; E101-N104 PolarHBondContact O-N 3.23Å; E101-A105 WeakPolarHBondContact O-CB 3.44Å; E101-A105 PolarHBondContact O-N 2.88Å
102E61.7Low63.8Low128 Ų128111.7 Ų111.760%0.59857%0.571SS**Hα-helixtrans-64.5-42.9170.8-99.5-171.9160.800112.1E98 N99 N104 A105 I106E98-E102 WeakPolarHBondContact O-CB 3.21Å; E98-E102 PolarHBondContact O-N 2.98Å; N99-E102 PolarHBondContact O-N 3.26Å; E102-N104 VanDerWaalsContact C-N 3.35Å; E102-N104 PolarHBondContact O-N 2.92Å; E102-A105 PolarHBondContact O-N 3.32Å; E102-I106 WeakPolarHBondContact O-CB 3.5Å; E102-I106 WeakPolarHBondContact O-CD1 3.35Å; E102-I106 WeakPolarHBondContact O-CG1 3.45Å; E102-I106 PolarHBondContact O-N 2.79Å
103I66.1Low62.8Low92 Ų92114 Ų11447%0.47258%0.58SS.*Hα-helixtrans-64.1-40.9177.3-68.9164000110.9N99 E100 A107 M143N99-I103 WeakPolarHBondContact O-CB 3.17Å; N99-I103 WeakPolarHBondContact O-CD1 3.38Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 2.61Å; E100-I103 PolarHBondContact O-N 3.46Å; I103-A107 WeakPolarHBondContact O-CB 3.5Å; I103-A107 PolarHBondContact O-N 3.17Å; I103-M143 HydrophobicContact CD1-CE 4.46Å
104N69.1Low61.5Low97 Ų97114.7 Ų114.752%0.51959%0.594SS.*Hα-helixtrans-73.2-33.1177.4-73.5-34.2000112.6E100 E101 E102 A107 N108E100-N104 VanDerWaalsContact O-CB 3.29Å; E100-N104 WeakPolarHBondContact O-CB 3.39Å; E100-N104 VanDerWaalsContact O-CG 3.23Å; E100-N104 PolarHBondContact O-N 2.88Å; E100-N104 PolarHBondContact O-ND2 2.73Å; E100-N104 VanDerWaalsContact O-ND2 3.08Å; E101-N104 PolarHBondContact O-N 3.23Å; E102-N104 VanDerWaalsContact C-N 3.35Å; E102-N104 PolarHBondContact O-N 2.92Å; N104-A107 PolarHBondContact O-N 3.27Å; N104-N108 WeakPolarHBondContact O-CB 3.22Å; N104-N108 PolarHBondContact O-N 3.42Å
105A67.9Low60.6Low52 Ų52119.5 Ų119.543%0.4362%0.618SS.*Hα-helixtrans-67.3-39.8173.400000111.5E101 E102 A107 N108 T109E101-A105 WeakPolarHBondContact O-CB 3.44Å; E101-A105 PolarHBondContact O-N 2.88Å; E102-A105 PolarHBondContact O-N 3.32Å; A105-A107 VanDerWaalsContact C-N 3.34Å; A105-N108 PolarHBondContact O-N 2.99Å; A105-T109 VanDerWaalsContact O-CG2 3.24Å; A105-T109 WeakPolarHBondContact O-CG2 3.45Å; A105-T109 PolarHBondContact O-N 2.85Å; A105-T109 PolarHBondContact O-OG1 3.29Å; A105-T109 VanDerWaalsContact O-OG1 3.05Å
106I64.6Low60Low112 Ų112116.5 Ų116.557%0.57462%0.618SS**Hα-helixtrans-68.9-34.5174.9-64.2163.6000111E102 T109E102-I106 WeakPolarHBondContact O-CB 3.5Å; E102-I106 WeakPolarHBondContact O-CD1 3.35Å; E102-I106 WeakPolarHBondContact O-CG1 3.45Å; E102-I106 PolarHBondContact O-N 2.79Å; I106-T109 WeakPolarHBondContact CA-OG1 3.36Å; I106-T109 PolarHBondContact O-OG1 2.89Å; I106-T109 VanDerWaalsContact O-OG1 3.1Å
107A65Low59.7Low64 Ų64118.1 Ų118.153%0.52964%0.635SS.*Hα-helixtrans-67.4-38.9174.200000112.9I103 N104 A105I103-A107 WeakPolarHBondContact O-CB 3.5Å; I103-A107 PolarHBondContact O-N 3.17Å; N104-A107 PolarHBondContact O-N 3.27Å; A105-A107 VanDerWaalsContact C-N 3.34Å
108N63.9Low58.7Low124 Ų124117.2 Ų117.266%0.66364%0.64SS**Hα-helixtrans-78.1-28.2-179.5-81.8-9.7000113.7N104 A105 N110 S111N104-N108 WeakPolarHBondContact O-CB 3.22Å; N104-N108 PolarHBondContact O-N 3.42Å; A105-N108 PolarHBondContact O-N 2.99Å; N108-N110 PolarHBondContact O-N 3.36Å; N108-S111 VanDerWaalsContact O-CB 3.24Å; N108-S111 WeakPolarHBondContact O-CB 3.12Å; N108-S111 PolarHBondContact O-N 2.86Å
109T59.8Low58.5Low104 Ų104119.4 Ų119.464%0.63866%0.656SS**Hα-helixtrans-69.5-16.8179.148.30000113.6A105 I106 S111A105-T109 VanDerWaalsContact O-CG2 3.24Å; A105-T109 WeakPolarHBondContact O-CG2 3.45Å; A105-T109 PolarHBondContact O-N 2.85Å; A105-T109 PolarHBondContact O-OG1 3.29Å; A105-T109 VanDerWaalsContact O-OG1 3.05Å; I106-T109 WeakPolarHBondContact CA-OG1 3.36Å; I106-T109 PolarHBondContact O-OG1 2.89Å; I106-T109 VanDerWaalsContact O-OG1 3.1Å; T109-S111 PolarHBondContact O-N 3.44Å
110N58.3Low58.1Low136 Ų136126.9 Ų126.973%0.72768%0.679SS**THydrogen-bonded Turntrans-80.26.9172.5-97.9-14.9000114.7N108 Y112N108-N110 PolarHBondContact O-N 3.36Å; N110-Y112 PolarHBondContact O-N 3.3Å
111S53.7Low57.7Low101 Ų101124.3 Ų124.371%0.70668%0.681SS**THydrogen-bonded Turntrans-72.47.7-178.3-164.50000115.4N108 T109N108-S111 VanDerWaalsContact O-CB 3.24Å; N108-S111 WeakPolarHBondContact O-CB 3.12Å; N108-S111 PolarHBondContact O-N 2.86Å; T109-S111 PolarHBondContact O-N 3.44Å
112Y53.5Low57Low220 Ų220123.6 Ų123.686%0.86369%0.69SS**THydrogen-bonded Turntrans-97.37.1178.2-96.8-86.4000115.6N110N110-Y112 PolarHBondContact O-N 3.3Å
113R56.1Low56.8Low229 Ų229124.7 Ų124.786%0.86470%0.695SS**  trans-104.767.9174.7-158.6166.9-174.5162.90.6112V115R113-V115 PolarHBondContact O-N 2.76Å
114S50.3Low56.7Low108 Ų108122.9 Ų122.976%0.75569%0.686SS**  trans-75.589.2177.146.60000112.2
115V48.4Very low56.7Low129 Ų129125.5 Ų125.578%0.78270%0.7SS**SBendtrans-144.1114.2150.4-82.50000109R113R113-V115 PolarHBondContact O-N 2.76Å
116A47.5Very low56.9Low83 Ų83126.3 Ų126.369%0.68671%0.706SS**  trans6.9121.9174.300000118.9T118A116-T118 PolarHBondContact O-N 3.24Å; A116-T118 VanDerWaalsContact O-N 3.16Å
117P54.9Low57.3Low134 Ų134126.5 Ų126.587%0.8771%0.705SS**  trans-67.5116.2170.629.2-30.4000109
118T42Very low57.5Low112 Ų112131.3 Ų131.369%0.68771%0.709SS**  trans-75.1148.1170.853.60000109.6A116 R120 G121A116-T118 PolarHBondContact O-N 3.24Å; A116-T118 VanDerWaalsContact O-N 3.16Å; T118-R120 PolarHBondContact O-N 2.95Å; T118-G121 PolarHBondContact O-N 3.41Å; T118-G121 VanDerWaalsContact O-N 3.13Å
119L54.6Low57.7Low183 Ų183134 Ų13496%0.95871%0.71SS**THydrogen-bonded Turntrans-56.52.8-174.2-159.665.8000115.4
120R53.6Low58.5Low221 Ų221137.8 Ų137.883%0.83471%0.713SS**THydrogen-bonded Turntrans-84.5-3.7171.3-75.7-168.3175-1540.4114.4T118 S122T118-R120 PolarHBondContact O-N 2.95Å; R120-S122 PolarHBondContact O-N 3.15Å
121G55.8Low59.2Low53 Ų53138.7 Ų138.755%0.54671%0.706SS.*THydrogen-bonded Turntrans-670.7-173.300000118.1T118T118-G121 PolarHBondContact O-N 3.41Å; T118-G121 VanDerWaalsContact O-N 3.13Å
122S51Low59.9Low113 Ų113139.9 Ų139.979%0.7970%0.702SS**THydrogen-bonded Turntrans-91.4-19.4179.1700000114.8R120 D124R120-S122 PolarHBondContact O-N 3.15Å; S122-D124 VanDerWaalsContact C-N 3.29Å
123Q56.7Low60.4Low152 Ų152134.1 Ų134.171%0.7169%0.685SS**SBendtrans-89.80.5177.4-69.9-176.6-17.400112.9L125Q123-L125 PolarHBondContact O-N 3.4Å
124D64.4Low61.3Low53 Ų53128.9 Ų128.928%0.28367%0.67SS.*Hα-helixtrans-82.7-5.7-161.3-143.914.4000114S122 R128S122-D124 VanDerWaalsContact C-N 3.29Å; D124-R128 WeakPolarHBondContact O-CA 3.37Å; D124-R128 WeakPolarHBondContact O-CB 3.4Å; D124-R128 VanDerWaalsContact O-CG 3.25Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 3Å
125L68.4Low62Low153 Ų153129.4 Ų129.480%0.80166%0.661SS**Hα-helixtrans-74.6-43.8179.4-153.5100.4000111.8Q123 R129Q123-L125 PolarHBondContact O-N 3.4Å; L125-R129 VanDerWaalsContact O-CB 3.29Å; L125-R129 WeakPolarHBondContact O-CB 3.33Å; L125-R129 PolarHBondContact O-N 3.44Å
126A73.2Confident62.6Low68 Ų68126.7 Ų126.756%0.56265%0.647SS**Hα-helixtrans-74.8-37.6178.200000111.4R129 R130A126-R129 PolarHBondContact O-N 3.09Å; A126-R130 WeakPolarHBondContact O-CG 3.2Å; A126-R130 PolarHBondContact O-N 3.27Å
127E72.7Confident63.4Low116 Ų116129.6 Ų129.654%0.54265%0.645SS.*Hα-helixtrans-72.5-38.2173.9-77.7-173163.700112.5R129 R130 R131E127-R129 VanDerWaalsContact C-N 3.29Å; E127-R129 PolarHBondContact O-N 3.16Å; E127-R130 CarbonylContact O-C 3.55Å; E127-R130 PolarHBondContact O-N 3.05Å; E127-R131 WeakPolarHBondContact O-CB 3.27Å; E127-R131 PolarHBondContact O-N 3.13Å
128R68.9Low63.5Low166 Ų166131.8 Ų131.863%0.62664%0.637SS**Hα-helixtrans-59.2-42166.5-89.5-178.9168.3176.5-4.1111.4D124 R130 R131 M132D124-R128 WeakPolarHBondContact O-CA 3.37Å; D124-R128 WeakPolarHBondContact O-CB 3.4Å; D124-R128 VanDerWaalsContact O-CG 3.25Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 3Å; R128-R130 VanDerWaalsContact C-N 3.32Å; R128-R130 PolarHBondContact O-N 2.76Å; R128-R131 PolarHBondContact O-N 3.2Å; R128-M132 WeakPolarHBondContact O-CB 3.2Å; R128-M132 PolarHBondContact O-N 3.44Å
129R67.4Low64.3Low179 Ų179133.2 Ų133.268%0.67564%0.639SS**Hα-helixtrans-63.6-40.1176.8-158.5175-175157.63.5110.8L125 A126 E127 I133L125-R129 VanDerWaalsContact O-CB 3.29Å; L125-R129 WeakPolarHBondContact O-CB 3.33Å; L125-R129 PolarHBondContact O-N 3.44Å; A126-R129 PolarHBondContact O-N 3.09Å; E127-R129 VanDerWaalsContact C-N 3.29Å; E127-R129 PolarHBondContact O-N 3.16Å; R129-I133 HydrophobicContact CG-CD1 4.22Å; R129-I133 WeakPolarHBondContact O-CB 3.21Å; R129-I133 VanDerWaalsContact O-CD1 3.27Å; R129-I133 WeakPolarHBondContact O-CD1 3.19Å; R129-I133 WeakPolarHBondContact O-CG1 3.32Å; R129-I133 PolarHBondContact O-N 3.48Å
130R77.8Confident64.3Low184 Ų184127.9 Ų127.969%0.69463%0.629SS**Hα-helixtrans-65.2-42.8172.8-76.6-174.1178.5-167.21.2112.7A126 E127 R128 I133 E134A126-R130 WeakPolarHBondContact O-CG 3.2Å; A126-R130 PolarHBondContact O-N 3.27Å; E127-R130 CarbonylContact O-C 3.55Å; E127-R130 PolarHBondContact O-N 3.05Å; R128-R130 VanDerWaalsContact C-N 3.32Å; R128-R130 PolarHBondContact O-N 2.76Å; R130-I133 CarbonylContact O-C 3.58Å; R130-I133 PolarHBondContact O-N 3.34Å; R130-E134 WeakPolarHBondContact O-CB 3.26Å; R130-E134 WeakPolarHBondContact O-CG 3.25Å; R130-E134 PolarHBondContact O-N 3.41Å
131R71.8Confident64Low155 Ų155120.3 Ų120.359%0.58562%0.619SS**Hα-helixtrans-64-44.4175.5-112-172-175.1123.30.6111.9E127 R128 I133 E134 E135E127-R131 WeakPolarHBondContact O-CB 3.27Å; E127-R131 PolarHBondContact O-N 3.13Å; R128-R131 PolarHBondContact O-N 3.2Å; R131-I133 VanDerWaalsContact C-N 3.27Å; R131-I133 PolarHBondContact O-N 3.46Å; R131-E134 CarbonylContact O-C 3.59Å; R131-E134 PolarHBondContact O-N 2.97Å; R131-E134 VanDerWaalsContact O-N 3.11Å; R131-E135 WeakPolarHBondContact O-CB 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.19Å; R131-E135 PolarHBondContact O-N 3.29Å
132M68.5Low63.6Low127 Ų127122.2 Ų122.263%0.62662%0.617SS**Hα-helixtrans-63.9-35176.4-162-171.9-67.700110.8R128 S136R128-M132 WeakPolarHBondContact O-CB 3.2Å; R128-M132 PolarHBondContact O-N 3.44Å; M132-S136 VanDerWaalsContact O-CB 3.26Å; M132-S136 WeakPolarHBondContact O-CB 3.25Å; M132-S136 PolarHBondContact O-N 3.19Å; M132-S136 PolarHBondContact O-OG 3.29Å
133I64.6Low63.6Low99 Ų99124.7 Ų124.751%0.50862%0.618SS.*Hα-helixtrans-70.1-39.6171.2-68.9163.1000111.6R129 R130 R131 S136 K137R129-I133 HydrophobicContact CG-CD1 4.22Å; R129-I133 WeakPolarHBondContact O-CB 3.21Å; R129-I133 VanDerWaalsContact O-CD1 3.27Å; R129-I133 WeakPolarHBondContact O-CD1 3.19Å; R129-I133 WeakPolarHBondContact O-CG1 3.32Å; R129-I133 PolarHBondContact O-N 3.48Å; R130-I133 CarbonylContact O-C 3.58Å; R130-I133 PolarHBondContact O-N 3.34Å; R131-I133 VanDerWaalsContact C-N 3.27Å; R131-I133 PolarHBondContact O-N 3.46Å; I133-S136 WeakPolarHBondContact CA-OG 3.22Å; I133-S136 PolarHBondContact O-OG 3.47Å; I133-S136 VanDerWaalsContact O-OG 3.11Å; I133-K137 VanDerWaalsContact O-CB 3.22Å; I133-K137 WeakPolarHBondContact O-CB 3.32Å; I133-K137 PolarHBondContact O-N 2.8Å
134E74.1Confident63.8Low118 Ų118123.3 Ų123.355%0.55161%0.612SS**Hα-helixtrans-69.7-41.3177-81.1-179.2167.600112.2R130 R131 K137 Y138R130-E134 WeakPolarHBondContact O-CB 3.26Å; R130-E134 WeakPolarHBondContact O-CG 3.25Å; R130-E134 PolarHBondContact O-N 3.41Å; R131-E134 CarbonylContact O-C 3.59Å; R131-E134 PolarHBondContact O-N 2.97Å; R131-E134 VanDerWaalsContact O-N 3.11Å; E134-K137 WeakPolarHBondContact O-CB 2.99Å; E134-K137 PolarHBondContact O-N 2.8Å; E134-Y138 WeakPolarHBondContact O-CD2 3.39Å
135E65Low63.1Low119 Ų119128.1 Ų128.156%0.55663%0.632SS**Hα-helixtrans-67.4-41.1176.4-71170.5-175.800110.6R131 K137 Y138 L139R131-E135 WeakPolarHBondContact O-CB 3.29Å; R131-E135 WeakPolarHBondContact O-CG 3.19Å; R131-E135 PolarHBondContact O-N 3.29Å; E135-K137 PolarHBondContact O-N 2.96Å; E135-Y138 PolarHBondContact O-N 2.74Å; E135-L139 PolarHBondContact O-N 3.24Å
136S61.4Low62.1Low72 Ų72125.9 Ų125.950%0.50363%0.625SS.*Hα-helixtrans-71.9-24.5173.958.40000113.9M132 I133 Y138 L139M132-S136 VanDerWaalsContact O-CB 3.26Å; M132-S136 WeakPolarHBondContact O-CB 3.25Å; M132-S136 PolarHBondContact O-N 3.19Å; M132-S136 PolarHBondContact O-OG 3.29Å; I133-S136 WeakPolarHBondContact CA-OG 3.22Å; I133-S136 PolarHBondContact O-OG 3.47Å; I133-S136 VanDerWaalsContact O-OG 3.11Å; S136-Y138 PolarHBondContact O-N 3.43Å; S136-L139 PolarHBondContact O-N 2.79Å
137K65.1Low61.1Low145 Ų145130.2 Ų130.263%0.6363%0.633SS**Hα-helixtrans-60.1-29.8174.8-177.4-177.7177.5-167.40112.4I133 E134 E135I133-K137 VanDerWaalsContact O-CB 3.22Å; I133-K137 WeakPolarHBondContact O-CB 3.32Å; I133-K137 PolarHBondContact O-N 2.8Å; E134-K137 WeakPolarHBondContact O-CB 2.99Å; E134-K137 PolarHBondContact O-N 2.8Å; E135-K137 PolarHBondContact O-N 2.96Å
138Y57.4Low60Low179 Ų179132 Ų13270%0.70265%0.646SS**Hα-helixtrans-107.1-9.2-177.9-57.3-75.2000114.2E134 E135 S136E134-Y138 WeakPolarHBondContact O-CD2 3.39Å; E135-Y138 PolarHBondContact O-N 2.74Å; S136-Y138 PolarHBondContact O-N 3.43Å
139L57.9Low59.2Low142 Ų142128.7 Ų128.774%0.74364%0.644SS**Hα-helixtrans-103.1-2-176.3-92.4159.3000116.4E135 S136E135-L139 PolarHBondContact O-N 3.24Å; S136-L139 PolarHBondContact O-N 2.79Å
140G53.9Low58.6Low71 Ų71129.5 Ų129.573%0.73265%0.652SS**  trans62.681.6161.500000116.1
141G49Very low57.8Low62 Ų62122.6 Ų122.664%0.63964%0.638SS**  trans87.1153.3167.200000113.8
142D46.7Very low57.5Low93 Ų93119.5 Ų119.550%0.49763%0.633SS.*  cis-150.2159.3-12.3-82.1-26.6000104.2H145 T146D142-H145 WeakPolarHBondContact OD2-CA 3.35Å; D142-T146 WeakPolarHBondContact OD1-CA 3.08Å; D142-T146 PolarHBondContact OD1-N 2.78Å; D142-T146 PolarHBondContact OD2-N 3.27Å
143M50.7Low57.4Low165 Ų165118.5 Ų118.581%0.81363%0.63SS**SBendtrans-106.8-32.3155.8-102.5174.669.100111.3I103I103-M143 HydrophobicContact CD1-CE 4.46Å
144E61.3Low58Low123 Ų123121 Ų12158%0.57563%0.634SS**SBendtrans-14366176.6-62.3173.5-164.400107.7
145H49.4Very low58.1Low154 Ų154117.8 Ų117.871%0.71363%0.628SS**SBendtrans57.293.9165.6-50.685.8000116.2D142D142-H145 WeakPolarHBondContact OD2-CA 3.35Å
146T48.1Very low58.9Low106 Ų106116.7 Ų116.765%0.6563%0.625SS**  trans49.182162.262.20000116.1D142D142-T146 WeakPolarHBondContact OD1-CA 3.08Å; D142-T146 PolarHBondContact OD1-N 2.78Å; D142-T146 PolarHBondContact OD2-N 3.27Å
147H52Low60.1Low159 Ų159118 Ų11874%0.73663%0.626SS**  trans-108.892160.8-66.2-19.5000109V149H147-V149 PolarHBondContact O-N 2.8Å
148L48.9Very low61Low154 Ų154116.9 Ų116.981%0.80662%0.623SS**  trans12.499.6156.4-67.8165000112.7K150L148-K150 PolarHBondContact O-N 2.74Å
149V51.7Low62.4Low96 Ų96115 Ų11558%0.58262%0.618SS**  trans-27.4100.4166.3-1670000109H147 G151 L152H147-V149 PolarHBondContact O-N 2.8Å; V149-G151 PolarHBondContact O-N 3.3Å; V149-L152 HydrophobicContact CB-CB 3.59Å; V149-L152 HydrophobicContact CG1-CB 3.95Å; V149-L152 HydrophobicContact CG2-CB 4.3Å; V149-L152 PolarHBondContact O-N 3.17Å
150K55.3Low63.8Low197 Ų197111.3 Ų111.386%0.85760%0.602SS**Hα-helixtrans-54.9-23.4167.7-88.1-176.8175.5174.10110.4L148 Y154L148-K150 PolarHBondContact O-N 2.74Å; K150-Y154 WeakPolarHBondContact O-CB 3.37Å; K150-Y154 PolarHBondContact O-N 2.95Å
151G61Low65.4Low38 Ų38115.9 Ų115.939%0.39260%0.597SS.*Hα-helixtrans-75.3-17.9169.200000116.3V149 A155V149-G151 PolarHBondContact O-N 3.3Å; G151-A155 WeakPolarHBondContact O-CA 3.35Å; G151-A155 WeakPolarHBondContact O-CB 3.34Å; G151-A155 PolarHBondContact O-N 2.77Å
152L66.2Low67Low91 Ų91115.7 Ų115.748%0.47659%0.586SS.*Hα-helixtrans-77.6-45.9175.9178.7140.4000109.9V149 Y154 A155 L156V149-L152 HydrophobicContact CB-CB 3.59Å; V149-L152 HydrophobicContact CG1-CB 3.95Å; V149-L152 HydrophobicContact CG2-CB 4.3Å; V149-L152 PolarHBondContact O-N 3.17Å; L152-Y154 VanDerWaalsContact C-N 3.3Å; L152-Y154 PolarHBondContact O-N 3.37Å; L152-A155 CarbonylContact O-C 3.59Å; L152-A155 PolarHBondContact O-N 3.3Å; L152-L156 HydrophobicContact CD2-CD1 3.97Å; L152-L156 HydrophobicContact CG-CD1 4.19Å; L152-L156 VanDerWaalsContact O-CB 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.27Å; L152-L156 PolarHBondContact O-N 3.32Å
153D66.4Low68.9Low105 Ų105116.4 Ų116.456%0.56159%0.586SS**Hα-helixtrans-63.8-39172.6-73.9-14.7000110.8L156 L157D153-L156 PolarHBondContact O-N 2.77Å; D153-L157 VanDerWaalsContact O-CB 3.25Å; D153-L157 WeakPolarHBondContact O-CB 3.33Å; D153-L157 WeakPolarHBondContact O-CG 3.27Å; D153-L157 PolarHBondContact O-N 2.86Å
154Y77.5Confident70.5Confident151 Ų151112.4 Ų112.459%0.59257%0.568SS**Hα-helixtrans-66.1-39.6173.3-171.2-94.6000112.6K150 L152 L157 Q158K150-Y154 WeakPolarHBondContact O-CB 3.37Å; K150-Y154 PolarHBondContact O-N 2.95Å; L152-Y154 VanDerWaalsContact C-N 3.3Å; L152-Y154 PolarHBondContact O-N 3.37Å; Y154-L157 PolarHBondContact O-N 3.28Å; Y154-Q158 VanDerWaalsContact O-CB 3.27Å; Y154-Q158 WeakPolarHBondContact O-CB 3.38Å; Y154-Q158 PolarHBondContact O-N 3.39Å
155A76.3Confident71.8Confident52 Ų52110.5 Ų110.543%0.4356%0.561SS.*Hα-helixtrans-71.4-34.6175.400000112G151 L152 Q158 K159G151-A155 WeakPolarHBondContact O-CA 3.35Å; G151-A155 WeakPolarHBondContact O-CB 3.34Å; G151-A155 PolarHBondContact O-N 2.77Å; L152-A155 CarbonylContact O-C 3.59Å; L152-A155 PolarHBondContact O-N 3.3Å; A155-Q158 PolarHBondContact O-N 2.79Å; A155-K159 WeakPolarHBondContact O-CB 3.36Å; A155-K159 PolarHBondContact O-N 2.75Å
156L82Confident73.3Confident95 Ų95104.6 Ų104.650%0.49754%0.536SS..Hα-helixtrans-66.6-44.7171.8-122.194.3000109.6L152 D153 Q158 K159 V160L152-L156 HydrophobicContact CD2-CD1 3.97Å; L152-L156 HydrophobicContact CG-CD1 4.19Å; L152-L156 VanDerWaalsContact O-CB 3.29Å; L152-L156 WeakPolarHBondContact O-CB 3.27Å; L152-L156 PolarHBondContact O-N 3.32Å; D153-L156 PolarHBondContact O-N 2.77Å; L156-Q158 VanDerWaalsContact C-N 3.34Å; L156-K159 PolarHBondContact O-N 3.32Å; L156-V160 WeakPolarHBondContact O-CB 3.06Å; L156-V160 WeakPolarHBondContact O-CG2 3.26Å; L156-V160 PolarHBondContact O-N 3.48Å
157L84.9Confident74.9Confident100 Ų100109.2 Ų109.252%0.52454%0.542SS..Hα-helixtrans-63.9-40175.3-77.4169.7000111.3D153 Y154 R161D153-L157 VanDerWaalsContact O-CB 3.25Å; D153-L157 WeakPolarHBondContact O-CB 3.33Å; D153-L157 WeakPolarHBondContact O-CG 3.27Å; D153-L157 PolarHBondContact O-N 2.86Å; Y154-L157 PolarHBondContact O-N 3.28Å; L157-R161 WeakPolarHBondContact O-CB 3.39Å; L157-R161 WeakPolarHBondContact O-CG 3.22Å; L157-R161 PolarHBondContact O-N 2.94Å
158Q84.9Confident76.2Confident122 Ų122109 Ų10957%0.5754%0.541SS*.Hα-helixtrans-66.4-39.8174.6-171.3167.72.900111.4Y154 A155 L156 S162Y154-Q158 VanDerWaalsContact O-CB 3.27Å; Y154-Q158 WeakPolarHBondContact O-CB 3.38Å; Y154-Q158 PolarHBondContact O-N 3.39Å; A155-Q158 PolarHBondContact O-N 2.79Å; L156-Q158 VanDerWaalsContact C-N 3.34Å; Q158-S162 WeakPolarHBondContact O-CB 3.46Å; Q158-S162 PolarHBondContact O-N 3.01Å; Q158-S162 PolarHBondContact O-OG 2.7Å
159K85.9Confident77.5Confident138 Ų138109.4 Ų109.460%0.654%0.536SS*.Hα-helixtrans-65.3-47.8174.4-174.4179.5179.1-175.90111.5A155 L156 S162 E163A155-K159 WeakPolarHBondContact O-CB 3.36Å; A155-K159 PolarHBondContact O-N 2.75Å; L156-K159 PolarHBondContact O-N 3.32Å; K159-S162 WeakPolarHBondContact CA-OG 3.29Å; K159-S162 CarbonylContact O-C 3.51Å; K159-S162 PolarHBondContact O-N 3.11Å; K159-S162 PolarHBondContact O-OG 3.34Å; K159-E163 VanDerWaalsContact O-CB 3.29Å; K159-E163 WeakPolarHBondContact O-CB 3.42Å; K159-E163 PolarHBondContact O-N 3.43Å
160V87.2Confident77.9Confident65 Ų65107.9 Ų107.939%0.39454%0.54SS..Hα-helixtrans-64.2-41.5177.4170.70000110.6L156 E163 I164L156-V160 WeakPolarHBondContact O-CB 3.06Å; L156-V160 WeakPolarHBondContact O-CG2 3.26Å; L156-V160 PolarHBondContact O-N 3.48Å; V160-E163 PolarHBondContact O-N 3.49Å; V160-I164 HydrophobicContact CG1-CD1 3.77Å; V160-I164 HydrophobicContact CG1-CG1 4.39Å; V160-I164 WeakPolarHBondContact O-CB 2.98Å; V160-I164 WeakPolarHBondContact O-CG1 3.5Å; V160-I164 PolarHBondContact O-N 3.43Å
161R89.2Confident77.9Confident167 Ų167105.3 Ų105.363%0.6353%0.531SS*.Hα-helixtrans-59.8-47.2171.8-78.3174.6175.5-179.6-1.7111.3L157 E163 I164 D165L157-R161 WeakPolarHBondContact O-CB 3.39Å; L157-R161 WeakPolarHBondContact O-CG 3.22Å; L157-R161 PolarHBondContact O-N 2.94Å; R161-E163 VanDerWaalsContact C-N 3.34Å; R161-E163 PolarHBondContact O-N 3.42Å; R161-I164 PolarHBondContact O-N 3.49Å; R161-D165 WeakPolarHBondContact O-CB 3.17Å; R161-D165 VanDerWaalsContact O-CG 3.27Å; R161-D165 PolarHBondContact O-N 3.36Å
162S82Confident77.5Confident59 Ų59111.6 Ų111.641%0.41355%0.55SS..Hα-helixtrans-65.7-34.5176.469.60000113.2Q158 K159 D165 V166Q158-S162 WeakPolarHBondContact O-CB 3.46Å; Q158-S162 PolarHBondContact O-N 3.01Å; Q158-S162 PolarHBondContact O-OG 2.7Å; K159-S162 WeakPolarHBondContact CA-OG 3.29Å; K159-S162 CarbonylContact O-C 3.51Å; K159-S162 PolarHBondContact O-N 3.11Å; K159-S162 PolarHBondContact O-OG 3.34Å; S162-D165 PolarHBondContact O-N 3.2Å; S162-V166 WeakPolarHBondContact O-CB 3.42Å; S162-V166 WeakPolarHBondContact O-CG2 3.49Å; S162-V166 PolarHBondContact O-N 2.9Å
163E86Confident76.9Confident107 Ų107111.5 Ų111.550%0.556%0.555SS.*Hα-helixtrans-70.2-39.3177.5-173.7179.4162.500111.1K159 V160 R161 R167K159-E163 VanDerWaalsContact O-CB 3.29Å; K159-E163 WeakPolarHBondContact O-CB 3.42Å; K159-E163 PolarHBondContact O-N 3.43Å; V160-E163 PolarHBondContact O-N 3.49Å; R161-E163 VanDerWaalsContact C-N 3.34Å; R161-E163 PolarHBondContact O-N 3.42Å; E163-R167 WeakPolarHBondContact O-CB 3.36Å; E163-R167 PolarHBondContact O-N 3.46Å
164I85.2Confident76.5Confident82 Ų82114.7 Ų114.742%0.42157%0.566SS.*Hα-helixtrans-64.9-48.4172.1-67.1165.4000109.9V160 R161 V166 R167 E168V160-I164 HydrophobicContact CG1-CD1 3.77Å; V160-I164 HydrophobicContact CG1-CG1 4.39Å; V160-I164 WeakPolarHBondContact O-CB 2.98Å; V160-I164 WeakPolarHBondContact O-CG1 3.5Å; V160-I164 PolarHBondContact O-N 3.43Å; R161-I164 PolarHBondContact O-N 3.49Å; I164-V166 VanDerWaalsContact C-N 3.34Å; I164-V166 PolarHBondContact O-N 3.43Å; I164-R167 CarbonylContact O-C 3.58Å; I164-R167 PolarHBondContact O-N 3.12Å; I164-R167 VanDerWaalsContact O-N 3.13Å; I164-E168 HydrophobicContact CG2-CG 4.18Å; I164-E168 WeakPolarHBondContact O-CB 3.31Å; I164-E168 WeakPolarHBondContact O-CG 3.49Å; I164-E168 PolarHBondContact O-N 3.05Å
165D87.6Confident75.3Confident82 Ų82117.1 Ų117.144%0.43958%0.58SS.*Hα-helixtrans-59.9-41.2178.6-72.2-14.7000112.4R161 S162 K169R161-D165 WeakPolarHBondContact O-CB 3.17Å; R161-D165 VanDerWaalsContact O-CG 3.27Å; R161-D165 PolarHBondContact O-N 3.36Å; S162-D165 PolarHBondContact O-N 3.2Å; D165-K169 WeakPolarHBondContact O-CB 3.43Å; D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.3Å; D165-K169 PolarHBondContact O-N 2.88Å
166V81.5Confident74.4Confident31 Ų31121.5 Ų121.519%0.18860%0.595CS.*Hα-helixtrans-67.1-40.4176.3168.10000110.8S162 I164 K169 G170 E171 P173 L176S162-V166 WeakPolarHBondContact O-CB 3.42Å; S162-V166 WeakPolarHBondContact O-CG2 3.49Å; S162-V166 PolarHBondContact O-N 2.9Å; I164-V166 VanDerWaalsContact C-N 3.34Å; I164-V166 PolarHBondContact O-N 3.43Å; V166-K169 PolarHBondContact O-N 3.25Å; V166-G170 PolarHBondContact O-N 2.88Å; V166-E171 WeakPolarHBondContact CG1-O 3.38Å; V166-E171 PolarHBondContact O-N 3.48Å; V166-P173 HydrophobicContact CG1-CB 4.12Å; V166-L176 HydrophobicContact CG2-CD1 4.22Å
167R80.4Confident72.7Confident203 Ų203122.2 Ų122.277%0.76661%0.608SS**Hα-helixtrans-69.9-34.7177.3-170.3174.3179170.1-1.2112.5E163 I164 G170E163-R167 WeakPolarHBondContact O-CB 3.36Å; E163-R167 PolarHBondContact O-N 3.46Å; I164-R167 CarbonylContact O-C 3.58Å; I164-R167 PolarHBondContact O-N 3.12Å; I164-R167 VanDerWaalsContact O-N 3.13Å; R167-G170 PolarHBondContact O-N 3.21Å
168E80Confident70.9Confident153 Ų153122.5 Ų122.572%0.71561%0.614SS**Hα-helixtrans-72.7-34.4174.7-75.7-174.3175.900112.1I164 G170I164-E168 HydrophobicContact CG2-CG 4.18Å; I164-E168 WeakPolarHBondContact O-CB 3.31Å; I164-E168 WeakPolarHBondContact O-CG 3.49Å; I164-E168 PolarHBondContact O-N 3.05Å; E168-G170 PolarHBondContact O-N 3.43Å
169K75.6Confident68.8Low163 Ų163122.1 Ų122.171%0.70963%0.631SS**THydrogen-bonded Turntrans-76.5-2.3173.5-72.5174.6-178.1173.10114.2D165 V166 E171D165-K169 WeakPolarHBondContact O-CB 3.43Å; D165-K169 VanDerWaalsContact O-CG 3.29Å; D165-K169 WeakPolarHBondContact O-CG 3.3Å; D165-K169 PolarHBondContact O-N 2.88Å; V166-K169 PolarHBondContact O-N 3.25Å; K169-E171 PolarHBondContact O-N 3.03Å
170G60.8Low66.7Low65 Ų65121.1 Ų121.167%0.6763%0.629SS**THydrogen-bonded Turntrans69.713.7175.100000114.8V166 R167 E168V166-G170 PolarHBondContact O-N 2.88Å; R167-G170 PolarHBondContact O-N 3.21Å; E168-G170 PolarHBondContact O-N 3.43Å
171E56.4Low64.8Low142 Ų142122 Ų12266%0.66464%0.638SS**  trans-89.4121.1175.7-73.1-171.915500110V166 K169V166-E171 WeakPolarHBondContact CG1-O 3.38Å; V166-E171 PolarHBondContact O-N 3.48Å; K169-E171 PolarHBondContact O-N 3.03Å
172H52.4Low62.6Low170 Ų170120.4 Ų120.479%0.78765%0.649SS**  trans-56.1124-177.7-112.1-89.3000112.1E174H172-E174 VanDerWaalsContact C-N 3.26Å; H172-E174 PolarHBondContact O-N 3.25Å
173P53.8Low60.7Low89 Ų89124.2 Ų124.258%0.57866%0.659SS**THydrogen-bonded Turntrans-83.950-171.735.1-37.7000113.8V166V166-P173 HydrophobicContact CG1-CB 4.12Å
174E56.4Low58.6Low172 Ų172123 Ų12380%0.80467%0.667SS**THydrogen-bonded Turntrans-106.3-1.3174-75.4-167.716500114.3H172H172-E174 VanDerWaalsContact C-N 3.26Å; H172-E174 PolarHBondContact O-N 3.25Å
175K53.5Low56.6Low203 Ų203126.7 Ų126.788%0.88369%0.687SS**SBendtrans-101.44.1-176.4-73.3-174.9178-178.40116.4
176L55.9Low54.8Low143 Ų143128.7 Ų128.775%0.74970%0.702SS**SBendtrans-112.310.9-167.3-75.2165.8000116.7V166V166-L176 HydrophobicContact CG2-CD1 4.22Å
177S47.2Very low53.5Low111 Ų111135.8 Ų135.878%0.77673%0.731SS**SBendtrans-120.811.6-174.362.90000116.9
178V47.2Very low52.4Low106 Ų106134.6 Ų134.664%0.64273%0.734SS**  trans-123.7105.2172.2-172.30000108.4E180V178-E180 HydrophobicContact CG1-CB 4.26Å; V178-E180 HydrophobicContact CG1-CG 3.92Å; V178-E180 PolarHBondContact O-N 3.33Å
179A41Very low51.5Low113 Ų113135.1 Ų135.193%0.93474%0.736SS**  trans-61.885.2158.900000107.4
180E41.4Very low51.1Low117 Ų117136.7 Ų136.755%0.54774%0.743SS.*  trans-87.4120.8173.4-119.4176.1178.700107.6V178 K183V178-E180 HydrophobicContact CG1-CB 4.26Å; V178-E180 HydrophobicContact CG1-CG 3.92Å; V178-E180 PolarHBondContact O-N 3.33Å; E180-K183 WeakPolarHBondContact OE1-CE 3.45Å; E180-K183 IonicContact OE1-NZ 2.61Å; E180-K183 PolarHBondContact OE1-NZ 3.03Å
181S48.4Very low51.9Low85 Ų85138.4 Ų138.459%0.59474%0.736SS**  trans-36.6142.1156.150.90000110.5K183S181-K183 VanDerWaalsContact C-N 3.34Å; S181-K183 PolarHBondContact O-N 3.46Å
182P41.6Very low53.3Low132 Ų132137.9 Ų137.986%0.85774%0.743SS**  trans-61.597.3-175.427.9-33.9000109A184P182-A184 VanDerWaalsContact C-N 3.31Å; P182-A184 PolarHBondContact O-N 2.85Å
183K43Very low55Low140 Ų140133.2 Ų133.261%0.60972%0.72SS**  trans-72.999.8165.2-74.4178.3178.7169.30104.5E180 S181 D185E180-K183 WeakPolarHBondContact OE1-CE 3.45Å; E180-K183 IonicContact OE1-NZ 2.61Å; E180-K183 PolarHBondContact OE1-NZ 3.03Å; S181-K183 VanDerWaalsContact C-N 3.34Å; S181-K183 PolarHBondContact O-N 3.46Å; K183-D185 PolarHBondContact O-N 2.75Å
184A42Very low56.6Low82 Ų82141 Ų14168%0.67874%0.739SS**  trans-40.8130.6159.700000108.4P182 V186P182-A184 VanDerWaalsContact C-N 3.31Å; P182-A184 PolarHBondContact O-N 2.85Å; A184-V186 PolarHBondContact O-N 2.92Å
185D41.9Very low58.4Low158 Ų158136.6 Ų136.685%0.84572%0.723SS**  trans-55.484177.7-69.7-54.5000110.7K183 K187K183-D185 PolarHBondContact O-N 2.75Å; D185-K187 PolarHBondContact O-N 3.4Å
186V50.6Low60.2Low124 Ų124135.7 Ų135.775%0.75272%0.719SS**  trans-74.291.6161-177.70000104.4A184 E188A184-V186 PolarHBondContact O-N 2.92Å; V186-E188 PolarHBondContact O-N 3.27Å
187K53.2Low62Low181 Ų181134.6 Ų134.679%0.78771%0.714SS**  trans-46.9109.8164.4-68.6176.5-178174.60106.4D185 E189D185-K187 PolarHBondContact O-N 3.4Å; K187-E189 PolarHBondContact O-N 3.28Å
188E57.2Low64.2Low178 Ų178130.9 Ų130.983%0.83269%0.69SS**  trans-64.389.7173.9-68.4-174.9169.200107.2V186 K190V186-E188 PolarHBondContact O-N 3.27Å; E188-K190 PolarHBondContact O-N 3.44Å
189E62.8Low66.3Low163 Ų163131.3 Ų131.376%0.76268%0.683SS**  trans-57.4110.9166.6-70.5-173.8173.700106.3K187 L191K187-E189 PolarHBondContact O-N 3.28Å; E189-L191 WeakPolarHBondContact O-CD1 3.36Å; E189-L191 PolarHBondContact O-N 2.69Å
190K67.2Low68.8Low197 Ų197130.7 Ų130.786%0.85766%0.664SS**  trans-64.889.3177.9-69.3177.4-179.5175.10108.2E188 T192E188-K190 PolarHBondContact O-N 3.44Å; K190-T192 PolarHBondContact O-N 3.43Å; K190-T192 VanDerWaalsContact O-N 3.15Å
191L77.6Confident71.2Confident100 Ų100129.4 Ų129.452%0.52466%0.66SS.*  trans-62.4115.5175.4-74.2116.8000109.2E189 F193 Y202E189-L191 WeakPolarHBondContact O-CD1 3.36Å; E189-L191 PolarHBondContact O-N 2.69Å; L191-F193 HydrophobicContact CB-CE1 4.41Å; L191-F193 HydrophobicContact CB-CE2 4.31Å; L191-F193 HydrophobicContact CB-CZ 3.86Å; L191-F193 WeakPolarHBondContact O-CE2 3.48Å; L191-Y202 HydrophobicContact CD1-CE2 4.06Å
192T85.3Confident73.3Confident132 Ų132128.9 Ų128.981%0.8165%0.645SS**  trans-87.8121.2173.7580000109.8K190K190-T192 PolarHBondContact O-N 3.43Å; K190-T192 VanDerWaalsContact O-N 3.15Å
193F86.9Confident75.6Confident71 Ų71126.6 Ų126.631%0.31163%0.626SS.*  trans-93.7125.3177-56.7-75.7000110.9L191 A198 K199 Y202L191-F193 HydrophobicContact CB-CE1 4.41Å; L191-F193 HydrophobicContact CB-CE2 4.31Å; L191-F193 HydrophobicContact CB-CZ 3.86Å; L191-F193 WeakPolarHBondContact O-CE2 3.48Å; F193-A198 HydrophobicContact CD1-CB 4.08Å; F193-K199 HydrophobicContact CB-CB 3.96Å; F193-K199 HydrophobicContact CD2-CB 3.96Å; F193-K199 HydrophobicContact CD2-CG 3.91Å; F193-K199 HydrophobicContact CG-CB 3.95Å; F193-K199 HydrophobicContact CG-CG 4.41Å; F193-Y202 HydrophobicContact CE1-CD1 4.26Å; F193-Y202 AromaticContact CE1-CD2 3.94Å; F193-Y202 HydrophobicContact CE1-CD2 3.94Å; F193-Y202 AromaticContact CE1-CG 3.68Å; F193-Y202 HydrophobicContact CE1-CG 3.68Å; F193-Y202 AromaticContact CE2-CD1 3.71Å; F193-Y202 HydrophobicContact CE2-CD1 3.71Å; F193-Y202 HydrophobicContact CE2-CE1 4.16Å; F193-Y202 AromaticContact CE2-CG 4Å; F193-Y202 HydrophobicContact CE2-CG 4Å; F193-Y202 VanDerWaalsContact CZ-CB 3.48Å; F193-Y202 AromaticContact CZ-CD1 3.3Å; F193-Y202 HydrophobicContact CZ-CD1 3.3Å; F193-Y202 AromaticContact CZ-CD2 3.57Å; F193-Y202 HydrophobicContact CZ-CD2 3.57Å; F193-Y202 AromaticContact CZ-CE1 3.8Å; F193-Y202 HydrophobicContact CZ-CE1 3.8Å; F193-Y202 HydrophobicContact CZ-CE2 4.05Å; F193-Y202 AromaticContact CZ-CG 3.15Å; F193-Y202 HydrophobicContact CZ-CG 3.15Å
194R88.3Confident77.9Confident254 Ų254125.2 Ų125.296%0.95863%0.629SS**SBendtrans-72.8-32.1173.4-71.8-172.2173.5-179.8-1.5113
195T93.8Very high80.1Confident78 Ų78127.7 Ų127.748%0.47963%0.63SS.*SBendtrans-116.6144.4-175.864.80000111.6L197 A198 K199T195-L197 PolarHBondContact O-N 2.75Å; T195-A198 PolarHBondContact O-N 3.31Å; T195-A198 WeakPolarHBondContact OG1-CB 3.32Å; T195-A198 PolarHBondContact OG1-N 3.18Å; T195-A198 VanDerWaalsContact OG1-N 3.17Å; T195-K199 PolarHBondContact O-N 3.33Å
196K91.5Very high82.2Confident185 Ų185125.2 Ų125.280%0.80461%0.613SS**Hα-helixtrans-60.7-35.7175-65.4-179.5-178.6176.40111.5K199 N200K196-K199 PolarHBondContact O-N 3.27Å; K196-N200 VanDerWaalsContact O-CG 3.3Å; K196-N200 PolarHBondContact O-N 3.43Å; K196-N200 PolarHBondContact O-OD1 2.85Å
197L94Very high83.9Confident120 Ų120126.7 Ų126.763%0.62861%0.607SS**Hα-helixtrans-64.3-45.5176.6-175.9153.1000111.6T195 K199 N200 I201T195-L197 PolarHBondContact O-N 2.75Å; L197-K199 VanDerWaalsContact C-N 3.3Å; L197-K199 PolarHBondContact O-N 3.41Å; L197-N200 PolarHBondContact O-N 3.17Å; L197-N200 VanDerWaalsContact O-N 3.12Å; L197-I201 HydrophobicContact CD2-CD1 3.39Å; L197-I201 HydrophobicContact CD2-CG1 4.09Å; L197-I201 HydrophobicContact CG-CD1 4.41Å; L197-I201 WeakPolarHBondContact O-CG1 3.43Å; L197-I201 PolarHBondContact O-N 3.06Å
198A92.3Very high85.4Confident33 Ų33126.5 Ų126.527%0.27361%0.605SS.*Hα-helixtrans-61.4-40.1176.800000111.8F193 T195 N200 I201 Y202F193-A198 HydrophobicContact CD1-CB 4.08Å; T195-A198 PolarHBondContact O-N 3.31Å; T195-A198 WeakPolarHBondContact OG1-CB 3.32Å; T195-A198 PolarHBondContact OG1-N 3.18Å; T195-A198 VanDerWaalsContact OG1-N 3.17Å; A198-N200 VanDerWaalsContact C-N 3.34Å; A198-N200 PolarHBondContact O-N 3.11Å; A198-I201 PolarHBondContact O-N 3.46Å; A198-Y202 WeakPolarHBondContact O-CB 3.24Å; A198-Y202 PolarHBondContact O-N 2.7Å
199K92.1Very high86.5Confident115 Ų115122.9 Ų122.950%0.560%0.597SS.*Hα-helixtrans-61.1-41.4173.8-170.6176.1-178.8177.70112.1F193 T195 K196 L197 Y202 N203F193-K199 HydrophobicContact CB-CB 3.96Å; F193-K199 HydrophobicContact CD2-CB 3.96Å; F193-K199 HydrophobicContact CD2-CG 3.91Å; F193-K199 HydrophobicContact CG-CB 3.95Å; F193-K199 HydrophobicContact CG-CG 4.41Å; T195-K199 PolarHBondContact O-N 3.33Å; K196-K199 PolarHBondContact O-N 3.27Å; L197-K199 VanDerWaalsContact C-N 3.3Å; L197-K199 PolarHBondContact O-N 3.41Å; K199-Y202 PolarHBondContact O-N 2.82Å; K199-N203 WeakPolarHBondContact O-CB 3.28Å; K199-N203 PolarHBondContact O-N 2.96Å; K199-N203 PolarHBondContact O-ND2 3.19Å; K199-N203 PolarHBondContact O-OD1 2.66Å
200N92.7Very high87.5Confident100 Ų100119.4 Ų119.454%0.53559%0.589SS.*Hα-helixtrans-67.5-43.7178.1-70.4-5.6000112K196 L197 A198 Y202 N203 V204K196-N200 VanDerWaalsContact O-CG 3.3Å; K196-N200 PolarHBondContact O-N 3.43Å; K196-N200 PolarHBondContact O-OD1 2.85Å; L197-N200 PolarHBondContact O-N 3.17Å; L197-N200 VanDerWaalsContact O-N 3.12Å; A198-N200 VanDerWaalsContact C-N 3.34Å; A198-N200 PolarHBondContact O-N 3.11Å; N200-Y202 VanDerWaalsContact C-N 3.33Å; N200-Y202 PolarHBondContact O-N 3.2Å; N200-N203 PolarHBondContact O-N 3.41Å; N200-V204 WeakPolarHBondContact O-CG2 3.49Å; N200-V204 PolarHBondContact O-N 2.96Å
201I93.7Very high88.3Confident90 Ų90120.1 Ų120.146%0.46259%0.592SS.*Hα-helixtrans-60.3-46.3175.4-67.4178.6000110.1L197 A198 N203 V204 L205L197-I201 HydrophobicContact CD2-CD1 3.39Å; L197-I201 HydrophobicContact CD2-CG1 4.09Å; L197-I201 HydrophobicContact CG-CD1 4.41Å; L197-I201 WeakPolarHBondContact O-CG1 3.43Å; L197-I201 PolarHBondContact O-N 3.06Å; A198-I201 PolarHBondContact O-N 3.46Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-N203 PolarHBondContact O-N 2.77Å; I201-V204 PolarHBondContact O-N 3.4Å; I201-V204 VanDerWaalsContact O-N 3.15Å; I201-L205 HydrophobicContact CG2-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CG 4.2Å; I201-L205 WeakPolarHBondContact O-CG 3.45Å; I201-L205 PolarHBondContact O-N 2.9Å
202Y92.4Very high88.5Confident73 Ų73120.8 Ų120.829%0.28660%0.6SS.*Hα-helixtrans-59.4-43.2177.5-178.6-100.1000112.1L191 F193 A198 K199 N200 V204 L205 Q206L191-Y202 HydrophobicContact CD1-CE2 4.06Å; F193-Y202 HydrophobicContact CE1-CD1 4.26Å; F193-Y202 AromaticContact CE1-CD2 3.94Å; F193-Y202 HydrophobicContact CE1-CD2 3.94Å; F193-Y202 AromaticContact CE1-CG 3.68Å; F193-Y202 HydrophobicContact CE1-CG 3.68Å; F193-Y202 AromaticContact CE2-CD1 3.71Å; F193-Y202 HydrophobicContact CE2-CD1 3.71Å; F193-Y202 HydrophobicContact CE2-CE1 4.16Å; F193-Y202 AromaticContact CE2-CG 4Å; F193-Y202 HydrophobicContact CE2-CG 4Å; F193-Y202 VanDerWaalsContact CZ-CB 3.48Å; F193-Y202 AromaticContact CZ-CD1 3.3Å; F193-Y202 HydrophobicContact CZ-CD1 3.3Å; F193-Y202 AromaticContact CZ-CD2 3.57Å; F193-Y202 HydrophobicContact CZ-CD2 3.57Å; F193-Y202 AromaticContact CZ-CE1 3.8Å; F193-Y202 HydrophobicContact CZ-CE1 3.8Å; F193-Y202 HydrophobicContact CZ-CE2 4.05Å; F193-Y202 AromaticContact CZ-CG 3.15Å; F193-Y202 HydrophobicContact CZ-CG 3.15Å; A198-Y202 WeakPolarHBondContact O-CB 3.24Å; A198-Y202 PolarHBondContact O-N 2.7Å; K199-Y202 PolarHBondContact O-N 2.82Å; N200-Y202 VanDerWaalsContact C-N 3.33Å; N200-Y202 PolarHBondContact O-N 3.2Å; Y202-V204 VanDerWaalsContact C-N 3.31Å; Y202-V204 PolarHBondContact O-N 3.26Å; Y202-L205 PolarHBondContact O-N 2.89Å; Y202-Q206 HydrophobicContact CD1-CG 3.98Å; Y202-Q206 HydrophobicContact CD2-CG 4.12Å; Y202-Q206 HydrophobicContact CE1-CG 3.63Å; Y202-Q206 HydrophobicContact CE2-CG 3.76Å; Y202-Q206 HydrophobicContact CG-CG 4.23Å; Y202-Q206 VanDerWaalsContact CZ-NE2 3.26Å; Y202-Q206 WeakPolarHBondContact O-CB 3.5Å; Y202-Q206 VanDerWaalsContact O-CG 3.29Å; Y202-Q206 WeakPolarHBondContact O-CG 3.44Å; Y202-Q206 PolarHBondContact O-N 2.92Å; Y202-Q206 PolarHBondContact OH-NE2 3.39Å
203N89Confident88.5Confident85 Ų85118.4 Ų118.446%0.45558%0.582SS.*Hα-helixtrans-62.8-37.5176.4-69.3-13.2000112.5K199 N200 I201 Y207K199-N203 WeakPolarHBondContact O-CB 3.28Å; K199-N203 PolarHBondContact O-N 2.96Å; K199-N203 PolarHBondContact O-ND2 3.19Å; K199-N203 PolarHBondContact O-OD1 2.66Å; N200-N203 PolarHBondContact O-N 3.41Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-N203 PolarHBondContact O-N 2.77Å; N203-Y207 PolarHBondContact O-N 3.16Å
204V90.6Very high88.4Confident110 Ų110119.6 Ų119.667%0.66759%0.589SS**Hα-helixtrans-69.2-41.3176.3172.50000111N200 I201 Y202 Y207N200-V204 WeakPolarHBondContact O-CG2 3.49Å; N200-V204 PolarHBondContact O-N 2.96Å; I201-V204 PolarHBondContact O-N 3.4Å; I201-V204 VanDerWaalsContact O-N 3.15Å; Y202-V204 VanDerWaalsContact C-N 3.31Å; Y202-V204 PolarHBondContact O-N 3.26Å; V204-Y207 VanDerWaalsContact O-CB 3.26Å; V204-Y207 WeakPolarHBondContact O-CB 3.47Å; V204-Y207 PolarHBondContact O-N 3.02Å
205L89.8Confident88.2Confident135 Ų135109.7 Ų109.771%0.70756%0.555SS**Hα-helixtrans-70-37.2178.7-69.2174.4000112.5I201 Y202 Y207I201-L205 HydrophobicContact CG2-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CG 4.2Å; I201-L205 WeakPolarHBondContact O-CG 3.45Å; I201-L205 PolarHBondContact O-N 2.9Å; Y202-L205 PolarHBondContact O-N 2.89Å; L205-Y207 PolarHBondContact O-N 2.97Å
206Q85.9Confident87.8Confident105 Ų105112.5 Ų112.549%0.49156%0.561SS.*THydrogen-bonded Turntrans-78.4-5.7176.3-67.8-68.916.900113.3Y202 K208Y202-Q206 HydrophobicContact CD1-CG 3.98Å; Y202-Q206 HydrophobicContact CD2-CG 4.12Å; Y202-Q206 HydrophobicContact CE1-CG 3.63Å; Y202-Q206 HydrophobicContact CE2-CG 3.76Å; Y202-Q206 HydrophobicContact CG-CG 4.23Å; Y202-Q206 VanDerWaalsContact CZ-NE2 3.26Å; Y202-Q206 WeakPolarHBondContact O-CB 3.5Å; Y202-Q206 VanDerWaalsContact O-CG 3.29Å; Y202-Q206 WeakPolarHBondContact O-CG 3.44Å; Y202-Q206 PolarHBondContact O-N 2.92Å; Y202-Q206 PolarHBondContact OH-NE2 3.39Å; Q206-K208 PolarHBondContact O-N 3.16Å
207Y86.3Confident87.4Confident156 Ų156105.4 Ų105.461%0.61254%0.537SS*.  trans-64.5106.9176.4-179.7-100.5000109.8N203 V204 L205 P209 P210N203-Y207 PolarHBondContact O-N 3.16Å; V204-Y207 VanDerWaalsContact O-CB 3.26Å; V204-Y207 WeakPolarHBondContact O-CB 3.47Å; V204-Y207 PolarHBondContact O-N 3.02Å; L205-Y207 PolarHBondContact O-N 2.97Å; Y207-P209 HydrophobicContact CE1-CB 4.49Å; Y207-P210 WeakPolarHBondContact OH-CD 3.2Å
208K83.4Confident86.9Confident176 Ų176103.2 Ų103.277%0.76553%0.53SS*.PPolyproline II helixtrans-79120.1169.2-67.9179-177.4174.20108.1Q206Q206-K208 PolarHBondContact O-N 3.16Å
209P81.8Confident86.4Confident102 Ų102108.4 Ų108.466%0.66254%0.542SS*.PPolyproline II helixtrans-60145.5177.825.7-33.4000110.1Y207Y207-P209 HydrophobicContact CE1-CB 4.49Å
210P83.9Confident86.2Confident91 Ų91104.8 Ų104.859%0.59153%0.525SS*.PPolyproline II helixtrans-61.3146.4177.726.5-34.3000110.2Y207 V212Y207-P210 WeakPolarHBondContact OH-CD 3.2Å; P210-V212 PolarHBondContact O-N 3.37Å
211K82.9Confident86.1Confident212 Ų212102 Ų10292%0.92251%0.51SS*.  trans-59.5113.8176.3-173.3175.7-178.5176.90109.2
212V82.9Confident85.9Confident114 Ų11499.1 Ų99.169%0.69150%0.499SS*.  trans-77130.4176.6-177.40000108.4P210 E214P210-V212 PolarHBondContact O-N 3.37Å; V212-E214 PolarHBondContact O-N 3Å
213N85.2Confident85.8Confident81 Ų81102.3 Ų102.343%0.43351%0.511SS..  trans-68.1123.1173178.18.1000108.9L215 F216N213-L215 PolarHBondContact O-N 3.39Å; N213-L215 VanDerWaalsContact O-N 3.14Å; N213-L215 PolarHBondContact OD1-N 3.22Å; N213-F216 HydrophobicContact CB-CD2 3.74Å; N213-F216 HydrophobicContact CB-CE2 3.92Å; N213-F216 PolarHBondContact O-N 2.87Å; N213-F216 VanDerWaalsContact O-N 3.1Å
214E84.2Confident85.7Confident97 Ų97100.7 Ų100.745%0.45350%0.504SS..G310 helixtrans-64.4-21.6-174.1-51.5-179.5155.800113.2V212 F216 A217 R220 K246V212-E214 PolarHBondContact O-N 3Å; E214-F216 PolarHBondContact O-N 3.5Å; E214-A217 WeakPolarHBondContact O-CB 3.47Å; E214-A217 PolarHBondContact O-N 3.18Å; E214-R220 WeakPolarHBondContact O-CD 3.36Å; E214-R220 IonicContact OE2-CZ 3.75Å; E214-R220 IonicContact OE2-NH1 2.91Å; E214-R220 PolarHBondContact OE2-NH1 3.27Å; E214-R220 IonicContact OE2-NH2 3.67Å; E214-K246 IonicContact OE1-NZ 2.82Å; E214-K246 PolarHBondContact OE1-NZ 3.33Å; E214-K246 WeakPolarHBondContact OE2-CE 3.45Å; E214-K246 IonicContact OE2-NZ 2.7Å; E214-K246 PolarHBondContact OE2-NZ 3.34Å
215L84.9Confident85.5Confident46 Ų4699.2 Ų99.224%0.24150%0.496CS..G310 helixtrans-61.5-25176.2-61.1179.9000112.7N213 A217 M221 L243N213-L215 PolarHBondContact O-N 3.39Å; N213-L215 VanDerWaalsContact O-N 3.14Å; N213-L215 PolarHBondContact OD1-N 3.22Å; L215-A217 PolarHBondContact O-N 3.02Å; L215-M221 HydrophobicContact CB-CE 3.56Å; L215-M221 HydrophobicContact CD1-CE 3.71Å; L215-M221 HydrophobicContact CG-CE 4.23Å; L215-M221 VanDerWaalsContact O-CB 3.23Å; L215-M221 WeakPolarHBondContact O-CB 3.47Å; L215-M221 PolarHBondContact O-N 2.93Å; L215-L243 HydrophobicContact CD1-CD2 4.37Å; L215-L243 HydrophobicContact CD2-CD2 3.56Å
216F85Confident85.1Confident137 Ų13797.7 Ų97.760%0.60149%0.488SS*.G310 helixtrans-87.611.1174.4-56.4-62.7000112.9N213 E214 M221N213-F216 HydrophobicContact CB-CD2 3.74Å; N213-F216 HydrophobicContact CB-CE2 3.92Å; N213-F216 PolarHBondContact O-N 2.87Å; N213-F216 VanDerWaalsContact O-N 3.1Å; E214-F216 PolarHBondContact O-N 3.5Å; F216-M221 HydrophobicContact CE1-CE 4.38Å; F216-M221 HydrophobicContact CE1-SD 4.26Å
217A82.8Confident84.7Confident36 Ų36100.1 Ų100.130%0.29850%0.504SS..SBendtrans-56.2142.8164.800000109E214 L215 R219 R220E214-A217 WeakPolarHBondContact O-CB 3.47Å; E214-A217 PolarHBondContact O-N 3.18Å; L215-A217 PolarHBondContact O-N 3.02Å; A217-R219 PolarHBondContact O-N 3.16Å; A217-R220 HydrophobicContact CB-CB 3.99Å; A217-R220 WeakPolarHBondContact O-CB 3.43Å; A217-R220 PolarHBondContact O-N 2.82Å
218P82.3Confident84.1Confident74 Ų7494.7 Ų94.748%0.48150%0.495SS..THydrogen-bonded Turntrans-50.2129.9179.9-25.532.7000110.5R220P218-R220 PolarHBondContact O-N 3.31Å
219R82Confident83.1Confident141 Ų14195.6 Ų95.653%0.53250%0.502SS..THydrogen-bonded Turntrans65.54.4-178.5-53.4179.9177.7-177.4-0.8115.2A217 R244 C249A217-R219 PolarHBondContact O-N 3.16Å; R219-R244 PolarHBondContact O-NE 3.01Å; R219-R244 PolarHBondContact O-NH2 3.01Å; R219-C249 VanDerWaalsContact C-SG 3.54Å; R219-C249 PolarHBondContact O-SG 2.97Å
220R88Confident82.2Confident39 Ų3997.8 Ų97.815%0.14751%0.508CS..THydrogen-bonded Turntrans-77.3-50.8179.7-171.3170.3-179.8-177.9-6.6113.5E214 A217 P218 L243 R244 K246 C249E214-R220 WeakPolarHBondContact O-CD 3.36Å; E214-R220 IonicContact OE2-CZ 3.75Å; E214-R220 IonicContact OE2-NH1 2.91Å; E214-R220 PolarHBondContact OE2-NH1 3.27Å; E214-R220 IonicContact OE2-NH2 3.67Å; A217-R220 HydrophobicContact CB-CB 3.99Å; A217-R220 WeakPolarHBondContact O-CB 3.43Å; A217-R220 PolarHBondContact O-N 2.82Å; P218-R220 PolarHBondContact O-N 3.31Å; R220-L243 WeakPolarHBondContact O-CA 2.78Å; R220-R244 WeakPolarHBondContact CG-O 3.38Å; R220-R244 PolarHBondContact O-N 3.04Å; R220-K246 VanDerWaalsContact NH1-CE 3.33Å; R220-C249 VanDerWaalsContact CA-SG 3.51Å
221M90.3Very high80.9Confident43 Ų4398 Ų9821%0.21251%0.505CS..EExtended strand (participates in β ladder)trans-99.7131.4172.4-172.8-175-65.300109.6L215 F216 Y223 V241 L242L215-M221 HydrophobicContact CB-CE 3.56Å; L215-M221 HydrophobicContact CD1-CE 3.71Å; L215-M221 HydrophobicContact CG-CE 4.23Å; L215-M221 VanDerWaalsContact O-CB 3.23Å; L215-M221 WeakPolarHBondContact O-CB 3.47Å; L215-M221 PolarHBondContact O-N 2.93Å; F216-M221 HydrophobicContact CE1-CE 4.38Å; F216-M221 HydrophobicContact CE1-SD 4.26Å; M221-Y223 HydrophobicContact SD-CE2 4.28Å; M221-Y223 PolarHBondContact SD-OH 2.97Å; M221-Y223 VanDerWaalsContact SD-OH 3.4Å; M221-V241 HydrophobicContact CG-CG1 3.61Å; M221-V241 HydrophobicContact SD-CG1 4.03Å; M221-L242 CarbonylContact C-O 3.57Å; M221-L242 WeakPolarHBondContact CA-O 3.43Å
222A89.9Confident79.8Confident28 Ų2897.8 Ų97.823%0.23151%0.507CS..EExtended strand (participates in β ladder)trans-13115517100000109.8V241 L242A222-V241 CarbonylContact O-C 3.58Å; A222-L242 HydrophobicContact CB-CB 4.32Å; A222-L242 PolarHBondContact N-O 3.1Å; A222-L242 PolarHBondContact O-N 3.05Å
223Y90.3Very high78.8Confident140 Ų14094.3 Ų94.355%0.54949%0.494SS..EExtended strand (participates in β ladder)trans-111.9127.6174.4-64.1-81.5000108.2M221 P239 T240 V241M221-Y223 HydrophobicContact SD-CE2 4.28Å; M221-Y223 PolarHBondContact SD-OH 2.97Å; M221-Y223 VanDerWaalsContact SD-OH 3.4Å; Y223-P239 HydrophobicContact CD1-CB 4.14Å; Y223-P239 HydrophobicContact CD1-CG 4.31Å; Y223-T240 CarbonylContact C-O 3.56Å; Y223-T240 WeakPolarHBondContact CA-O 3.18Å; Y223-V241 HydrophobicContact CD1-CG2 3.9Å; Y223-V241 HydrophobicContact CE1-CG1 4.33Å; Y223-V241 HydrophobicContact CE1-CG2 3.67Å
224V87.8Confident77.6Confident51 Ų5198.1 Ų98.131%0.30951%0.514SS..EExtended strand (participates in β ladder)trans-102.7118.7172.4177.40000106.7P239 T240 L242V224-P239 CarbonylContact O-C 3.56Å; V224-P239 WeakPolarHBondContact O-CA 3.35Å; V224-T240 PolarHBondContact N-O 3.27Å; V224-T240 PolarHBondContact O-N 2.97Å; V224-L242 HydrophobicContact CG2-CD1 3.24Å; V224-L242 HydrophobicContact CG2-CD2 4.46Å; V224-L242 HydrophobicContact CG2-CG 3.55Å
225V85.4Confident76.5Confident80 Ų8099.2 Ų99.249%0.48552%0.523SS..  trans-107.2114.2173.2-1790000105.4L227 P239V225-L227 HydrophobicContact CG1-CD2 3.68Å; V225-L227 HydrophobicContact CG1-CG 4.27Å; V225-L227 PolarHBondContact O-N 3.02Å; V225-P239 HydrophobicContact CG2-CB 3.93Å
226D81.4Confident75.5Confident102 Ų10299.2 Ų99.255%0.54553%0.53SS..  trans-78.8116.1173.7-64.4-34.6000107.5G228D226-G228 VanDerWaalsContact C-N 3.3Å
227L77.4Confident74.9Confident157 Ų157100 Ų10082%0.82254%0.54SS*.  trans-98.627.7-177.9-61.8174.1000111.2V225 Q229V225-L227 HydrophobicContact CG1-CD2 3.68Å; V225-L227 HydrophobicContact CG1-CG 4.27Å; V225-L227 PolarHBondContact O-N 3.02Å; L227-Q229 PolarHBondContact O-N 3.4Å
228G73.8Confident74.7Confident42 Ų42101.8 Ų101.843%0.43354%0.544SS..  trans-58.1130.9-179.900000110.8D226 D230D226-G228 VanDerWaalsContact C-N 3.3Å; G228-D230 PolarHBondContact O-N 3.3Å
229Q62Low74.8Confident194 Ų194100.9 Ų100.991%0.90754%0.538SS*.THydrogen-bonded Turntrans-78.9-4.8-179.9-147.8169.2-2.300112.4L227L227-Q229 PolarHBondContact O-N 3.4Å
230D63Low74.9Confident148 Ų14897.7 Ų97.779%0.79154%0.535SS*.THydrogen-bonded Turntrans-112.9-1.1-168.4-53.7-29.8000113.3G228 E232G228-D230 PolarHBondContact O-N 3.3Å; D230-E232 PolarHBondContact O-N 2.89Å; D230-E232 VanDerWaalsContact O-N 3.07Å
231D57.4Low75Confident97 Ų9799 Ų9952%0.51955%0.547SS..  trans-85.481.4-179.3-62.3-41.9000110.1G233D231-G233 PolarHBondContact O-N 3.14Å
232E60Low75Confident207 Ų207101.2 Ų101.297%0.96756%0.559SS**  trans-63.82.7163.5-86-178.8153.900112.9D230D230-E232 PolarHBondContact O-N 2.89Å; D230-E232 VanDerWaalsContact O-N 3.07Å
233G61.4Low75Confident40 Ų40104.9 Ų104.941%0.41257%0.574SS.*SBendtrans-85.9137.3172.400000111.6D231 D235D231-G233 PolarHBondContact O-N 3.14Å; G233-D235 PolarHBondContact O-N 3.4Å
234N59.4Low74.8Confident161 Ų161103.1 Ų103.186%0.86157%0.567SS**THydrogen-bonded Turntrans-57.713.7-179-124.827.4000116.1
235D62.3Low74.8Confident120 Ų120102.8 Ų102.864%0.64257%0.567SS**THydrogen-bonded Turntrans-102.6-9.9-171.5-61.9-36.2000113.2G233 D237 I238G233-D235 PolarHBondContact O-N 3.4Å; D235-D237 PolarHBondContact O-N 3.03Å; D235-D237 VanDerWaalsContact O-N 3.12Å; D235-I238 PolarHBondContact O-N 3.12Å; D235-I238 VanDerWaalsContact O-N 3.11Å
236A64.5Low74.8Confident47 Ų47103.5 Ų103.539%0.38856%0.563SS.*THydrogen-bonded Turntrans-59.5-24.1177.800000113.8
237D71.7Confident74.8Confident152 Ų152107.5 Ų107.581%0.81358%0.578SS**THydrogen-bonded Turntrans-85.8-9.3-179.1-76.1-16.5000113.8D235 P239D235-D237 PolarHBondContact O-N 3.03Å; D235-D237 VanDerWaalsContact O-N 3.12Å; D237-P239 VanDerWaalsContact O-CD 3.3Å; D237-P239 WeakPolarHBondContact O-CD 3.12Å
238I78.1Confident74.7Confident74 Ų74106.3 Ų106.338%0.37957%0.569SS.*SBendtrans-104.7105.2-173.4-61.9163.3000109.7D235 T240 F498D235-I238 PolarHBondContact O-N 3.12Å; D235-I238 VanDerWaalsContact O-N 3.11Å; I238-T240 PolarHBondContact O-N 3.39Å; I238-F498 HydrophobicContact CB-CE2 4.33Å; I238-F498 HydrophobicContact CD1-CE2 3.74Å; I238-F498 HydrophobicContact CD1-CZ 4.1Å; I238-F498 HydrophobicContact CG1-CE2 3.97Å; I238-F498 HydrophobicContact CG2-CD2 4.2Å; I238-F498 HydrophobicContact CG2-CE2 3.39Å; I238-F498 HydrophobicContact CG2-CZ 4.05Å
239P84Confident74.5Confident55 Ų55104.7 Ų104.736%0.35755%0.551SS.*  trans-67131.2174.825-32.1000111.4Y223 V224 V225 D237Y223-P239 HydrophobicContact CD1-CB 4.14Å; Y223-P239 HydrophobicContact CD1-CG 4.31Å; V224-P239 CarbonylContact O-C 3.56Å; V224-P239 WeakPolarHBondContact O-CA 3.35Å; V225-P239 HydrophobicContact CG2-CB 3.93Å; D237-P239 VanDerWaalsContact O-CD 3.3Å; D237-P239 WeakPolarHBondContact O-CD 3.12Å
240T84.7Confident74.8Confident74 Ų7499.3 Ų99.345%0.45453%0.533SS..EExtended strand (participates in β ladder)trans-75130.2171.9-64.60000110.2Y223 V224 I238Y223-T240 CarbonylContact C-O 3.56Å; Y223-T240 WeakPolarHBondContact CA-O 3.18Å; V224-T240 PolarHBondContact N-O 3.27Å; V224-T240 PolarHBondContact O-N 2.97Å; I238-T240 PolarHBondContact O-N 3.39Å
241V90.8Very high74.9Confident67 Ų6797.6 Ų97.641%0.40652%0.521SS..EExtended strand (participates in β ladder)trans-89.6115.1179.3-168.10000110.2M221 A222 Y223 L243M221-V241 HydrophobicContact CG-CG1 3.61Å; M221-V241 HydrophobicContact SD-CG1 4.03Å; A222-V241 CarbonylContact O-C 3.58Å; Y223-V241 HydrophobicContact CD1-CG2 3.9Å; Y223-V241 HydrophobicContact CE1-CG1 4.33Å; Y223-V241 HydrophobicContact CE1-CG2 3.67Å; V241-L243 HydrophobicContact CB-CD1 4.32Å; V241-L243 HydrophobicContact CG1-CD1 3.69Å
242L88.7Confident75.2Confident89 Ų8999.8 Ų99.847%0.46653%0.526SS..EExtended strand (participates in β ladder)trans-92.5126171-65.9-174.9000110.9M221 A222 V224M221-L242 CarbonylContact C-O 3.57Å; M221-L242 WeakPolarHBondContact CA-O 3.43Å; A222-L242 HydrophobicContact CB-CB 4.32Å; A222-L242 PolarHBondContact N-O 3.1Å; A222-L242 PolarHBondContact O-N 3.05Å; V224-L242 HydrophobicContact CG2-CD1 3.24Å; V224-L242 HydrophobicContact CG2-CD2 4.46Å; V224-L242 HydrophobicContact CG2-CG 3.55Å
243L90.2Very high75Confident105 Ų10598 Ų9855%0.5552%0.518SS..EExtended strand (participates in β ladder)trans-111.7115.4174.8-74.686000110L215 R220 V241L215-L243 HydrophobicContact CD1-CD2 4.37Å; L215-L243 HydrophobicContact CD2-CD2 3.56Å; R220-L243 WeakPolarHBondContact O-CA 2.78Å; V241-L243 HydrophobicContact CB-CD1 4.32Å; V241-L243 HydrophobicContact CG1-CD1 3.69Å
244R87.8Confident74.9Confident104 Ų10499.8 Ų99.839%0.39252%0.521SS..  trans-85.1155.6172.5-75.6-172.4-77.3-113.4-10.9112.1R219 R220R219-R244 PolarHBondContact O-NE 3.01Å; R219-R244 PolarHBondContact O-NH2 3.01Å; R220-R244 WeakPolarHBondContact CG-O 3.38Å; R220-R244 PolarHBondContact O-N 3.04Å
245S87.3Confident74.9Confident44 Ų4498.3 Ų98.331%0.30851%0.509SS..  trans-64.2156.3174.278.50000110.8Q247 E248 C249S245-Q247 PolarHBondContact O-N 2.9Å; S245-E248 PolarHBondContact O-N 3.5Å; S245-E248 WeakPolarHBondContact OG-CB 3.25Å; S245-E248 VanDerWaalsContact OG-CG 3.27Å; S245-E248 WeakPolarHBondContact OG-CG 3.34Å; S245-E248 PolarHBondContact OG-N 3.32Å; S245-E248 PolarHBondContact OG-OE1 2.85Å; S245-C249 PolarHBondContact O-SG 3.5Å
246K84.3Confident74.8Confident94 Ų9499.5 Ų99.541%0.40951%0.512SS..THydrogen-bonded Turntrans-61.5-31.8176.6-70.9-176.5-178.1-162.90112.5E214 R220E214-K246 IonicContact OE1-NZ 2.82Å; E214-K246 PolarHBondContact OE1-NZ 3.33Å; E214-K246 WeakPolarHBondContact OE2-CE 3.45Å; E214-K246 IonicContact OE2-NZ 2.7Å; E214-K246 PolarHBondContact OE2-NZ 3.34Å; R220-K246 VanDerWaalsContact NH1-CE 3.33Å
247Q81.7Confident74.9Confident186 Ų18699.7 Ų99.787%0.86951%0.511SS*.THydrogen-bonded Turntrans-78.7-28.3-173-66.2174.4-25.100111.9S245S245-Q247 PolarHBondContact O-N 2.9Å
248E75.4Confident74.8Confident132 Ų13296.7 Ų96.762%0.61749%0.493SS*.THydrogen-bonded Turntrans-84.3-12.4179-73.5160.7-129.400113.9S245 P250S245-E248 PolarHBondContact O-N 3.5Å; S245-E248 WeakPolarHBondContact OG-CB 3.25Å; S245-E248 VanDerWaalsContact OG-CG 3.27Å; S245-E248 WeakPolarHBondContact OG-CG 3.34Å; S245-E248 PolarHBondContact OG-N 3.32Å; S245-E248 PolarHBondContact OG-OE1 2.85Å; E248-P250 WeakPolarHBondContact O-CD 3.24Å
249C69.4Low74.6Confident8 Ų895.9 Ų95.95%0.05450%0.498CS..SBendtrans-90.2113.2173.6-630000107.7R219 R220 S245 M251R219-C249 VanDerWaalsContact C-SG 3.54Å; R219-C249 PolarHBondContact O-SG 2.97Å; R220-C249 VanDerWaalsContact CA-SG 3.51Å; S245-C249 PolarHBondContact O-SG 3.5Å; C249-M251 PolarHBondContact O-N 2.92Å
250P68.4Low74.5Confident82 Ų8297.5 Ų97.553%0.53251%0.506SS..  trans-59.7103.3176.124.1-32.1000107.8E248 K252E248-P250 WeakPolarHBondContact O-CD 3.24Å; P250-K252 PolarHBondContact O-N 3.36Å
251M64.6Low74.4Confident112 Ų11298.2 Ų98.255%0.55251%0.507SS*.  trans-58.2126.3168.8-66.9-141179.600105.1C249 E253C249-M251 PolarHBondContact O-N 2.92Å; M251-E253 PolarHBondContact O-N 3.39Å
252K63.9Low74.2Confident143 Ų14399.1 Ų99.162%0.62251%0.51SS*.  trans-42.9137.1-171.3-71170172.5170.40109.1P250 V254 E255P250-K252 PolarHBondContact O-N 3.36Å; K252-V254 HydrophobicContact CB-CB 4.05Å; K252-V254 HydrophobicContact CB-CG2 3.69Å; K252-V254 HydrophobicContact CD-CG2 4.33Å; K252-V254 WeakPolarHBondContact O-CA 3.29Å; K252-V254 PolarHBondContact O-N 3.22Å; K252-E255 PolarHBondContact O-N 2.77Å
253E56.6Low74.2Confident169 Ų16998.3 Ų98.379%0.7951%0.509SS*.THydrogen-bonded Turntrans-40.9-12167.9-61.8166.5167.700114.6M251 E255 M256 S257M251-E253 PolarHBondContact O-N 3.39Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 3.2Å; E253-M256 PolarHBondContact O-N 2.97Å; E253-S257 PolarHBondContact O-N 3.19Å
254V58.6Low74.2Confident78 Ų7896.6 Ų96.647%0.47350%0.503SS..Hα-helixtrans-49.7-44.4170.4179.70000112.7K252 M256 S257 I258K252-V254 HydrophobicContact CB-CB 4.05Å; K252-V254 HydrophobicContact CB-CG2 3.69Å; K252-V254 HydrophobicContact CD-CG2 4.33Å; K252-V254 WeakPolarHBondContact O-CA 3.29Å; K252-V254 PolarHBondContact O-N 3.22Å; V254-M256 PolarHBondContact O-N 3.41Å; V254-S257 WeakPolarHBondContact CA-OG 3.18Å; V254-S257 PolarHBondContact O-N 3.06Å; V254-S257 PolarHBondContact O-OG 2.99Å; V254-I258 HydrophobicContact CG1-CD1 3.95Å; V254-I258 HydrophobicContact CG1-CG1 4.49Å; V254-I258 VanDerWaalsContact O-CG1 3.27Å; V254-I258 WeakPolarHBondContact O-CG1 3.2Å; V254-I258 PolarHBondContact O-N 3.29Å
255E60.3Low74.3Confident130 Ų13096.1 Ų96.161%0.60751%0.507SS*.Hα-helixtrans-65.2-40.6-179.8-70.7-176.9-179.500111.9K252 E253 S257 I258 A259K252-E255 PolarHBondContact O-N 2.77Å; E253-E255 VanDerWaalsContact C-N 3.33Å; E253-E255 PolarHBondContact O-N 3.2Å; E255-S257 PolarHBondContact O-N 3.31Å; E255-I258 PolarHBondContact O-N 3.25Å; E255-A259 PolarHBondContact O-N 2.91Å
256M60.6Low74.6Confident145 Ų145100.6 Ų100.671%0.71452%0.523SS*.Hα-helixtrans-65.7-38.2174-66.5176.258.500111.8E253 V254 I258 A259 V260E253-M256 PolarHBondContact O-N 2.97Å; V254-M256 PolarHBondContact O-N 3.41Å; M256-I258 VanDerWaalsContact C-N 3.31Å; M256-I258 PolarHBondContact O-N 3.45Å; M256-A259 PolarHBondContact O-N 2.94Å; M256-V260 WeakPolarHBondContact O-CG2 3.21Å; M256-V260 PolarHBondContact O-N 3.25Å; M256-V260 VanDerWaalsContact O-N 3.12Å
257S65.2Low74.9Confident51 Ų51102.5 Ų102.536%0.35753%0.531SS..Hα-helixtrans-67.7-30178.6750000113.2E253 V254 E255 V260 N261E253-S257 PolarHBondContact O-N 3.19Å; V254-S257 WeakPolarHBondContact CA-OG 3.18Å; V254-S257 PolarHBondContact O-N 3.06Å; V254-S257 PolarHBondContact O-OG 2.99Å; E255-S257 PolarHBondContact O-N 3.31Å; S257-V260 PolarHBondContact O-N 3.09Å; S257-N261 WeakPolarHBondContact O-CB 3.43Å; S257-N261 PolarHBondContact O-N 3.46Å; S257-N261 PolarHBondContact O-ND2 2.94Å
258I69.9Low75.4Confident88 Ų8898.4 Ų98.445%0.45152%0.515SS..Hα-helixtrans-67.6-45.8177.2-66.7161000109.9V254 E255 M256 V260 N261 D262V254-I258 HydrophobicContact CG1-CD1 3.95Å; V254-I258 HydrophobicContact CG1-CG1 4.49Å; V254-I258 VanDerWaalsContact O-CG1 3.27Å; V254-I258 WeakPolarHBondContact O-CG1 3.2Å; V254-I258 PolarHBondContact O-N 3.29Å; E255-I258 PolarHBondContact O-N 3.25Å; M256-I258 VanDerWaalsContact C-N 3.31Å; M256-I258 PolarHBondContact O-N 3.45Å; I258-V260 VanDerWaalsContact C-N 3.34Å; I258-V260 PolarHBondContact O-N 2.99Å; I258-N261 PolarHBondContact O-N 3.22Å; I258-D262 PolarHBondContact O-N 3.14Å
259A75.2Confident76.2Confident58 Ų5896 Ų9648%0.47951%0.509SS..Hα-helixtrans-62.2-40.2175.800000112.4E255 M256 D262 V263E255-A259 PolarHBondContact O-N 2.91Å; M256-A259 PolarHBondContact O-N 2.94Å; A259-D262 PolarHBondContact O-N 3.47Å; A259-V263 WeakPolarHBondContact O-CG2 3.12Å; A259-V263 PolarHBondContact O-N 2.9Å; A259-V263 VanDerWaalsContact O-N 3.09Å
260V80Confident77.3Confident88 Ų88101.2 Ų101.253%0.53353%0.533SS..Hα-helixtrans-64.6-41.6175.4175.10000111.1M256 S257 I258 D262 V263 V264M256-V260 WeakPolarHBondContact O-CG2 3.21Å; M256-V260 PolarHBondContact O-N 3.25Å; M256-V260 VanDerWaalsContact O-N 3.12Å; S257-V260 PolarHBondContact O-N 3.09Å; I258-V260 VanDerWaalsContact C-N 3.34Å; I258-V260 PolarHBondContact O-N 2.99Å; V260-D262 VanDerWaalsContact C-N 3.33Å; V260-D262 PolarHBondContact O-N 3.1Å; V260-V263 PolarHBondContact O-N 2.75Å; V260-V264 HydrophobicContact CG1-CG2 4.33Å; V260-V264 WeakPolarHBondContact O-CB 3.38Å; V260-V264 VanDerWaalsContact O-CG2 3.22Å; V260-V264 WeakPolarHBondContact O-CG2 3.49Å; V260-V264 PolarHBondContact O-N 3.04Å
261N83.3Confident78.4Confident89 Ų89101 Ų10148%0.47653%0.53SS..Hα-helixtrans-62.1-40.9176.3-69.8-28.7000111.3S257 I258 V264 I265S257-N261 WeakPolarHBondContact O-CB 3.43Å; S257-N261 PolarHBondContact O-N 3.46Å; S257-N261 PolarHBondContact O-ND2 2.94Å; I258-N261 PolarHBondContact O-N 3.22Å; N261-V264 PolarHBondContact O-N 2.68Å; N261-I265 WeakPolarHBondContact O-CB 3.32Å; N261-I265 WeakPolarHBondContact O-CD1 3.33Å; N261-I265 WeakPolarHBondContact O-CG1 3.49Å; N261-I265 PolarHBondContact O-N 2.73Å
262D87.7Confident79.6Confident86 Ų8699.7 Ų99.746%0.4652%0.524SS..Hα-helixtrans-65.5-42.2178.7-73.7-16000112.3I258 A259 V260 V264 I265 Q266I258-D262 PolarHBondContact O-N 3.14Å; A259-D262 PolarHBondContact O-N 3.47Å; V260-D262 VanDerWaalsContact C-N 3.33Å; V260-D262 PolarHBondContact O-N 3.1Å; D262-V264 VanDerWaalsContact C-N 3.34Å; D262-V264 PolarHBondContact O-N 3.02Å; D262-I265 PolarHBondContact O-N 3.33Å; D262-Q266 WeakPolarHBondContact O-CG 3.36Å; D262-Q266 PolarHBondContact O-N 2.54Å
263V87.8Confident80.8Confident72 Ų7296 Ų9644%0.43652%0.516SS..Hα-helixtrans-63.4-41.6174.71750000110.9A259 V260 Q266 K267A259-V263 WeakPolarHBondContact O-CG2 3.12Å; A259-V263 PolarHBondContact O-N 2.9Å; A259-V263 VanDerWaalsContact O-N 3.09Å; V260-V263 PolarHBondContact O-N 2.75Å; V263-Q266 PolarHBondContact O-N 2.81Å; V263-K267 HydrophobicContact CG1-CD 4.42Å; V263-K267 WeakPolarHBondContact O-CG 3.42Å; V263-K267 PolarHBondContact O-N 3.48Å
264V90.6Very high82.3Confident70 Ų7093.4 Ų93.442%0.42451%0.505SS..Hα-helixtrans-65.7-40.2176.4171.70000110.9V260 N261 D262 K267 L268V260-V264 HydrophobicContact CG1-CG2 4.33Å; V260-V264 WeakPolarHBondContact O-CB 3.38Å; V260-V264 VanDerWaalsContact O-CG2 3.22Å; V260-V264 WeakPolarHBondContact O-CG2 3.49Å; V260-V264 PolarHBondContact O-N 3.04Å; N261-V264 PolarHBondContact O-N 2.68Å; D262-V264 VanDerWaalsContact C-N 3.34Å; D262-V264 PolarHBondContact O-N 3.02Å; V264-K267 PolarHBondContact O-N 2.9Å; V264-L268 HydrophobicContact CG1-CD1 3.77Å; V264-L268 HydrophobicContact CG1-CG 4.25Å; V264-L268 WeakPolarHBondContact O-CB 3.27Å; V264-L268 VanDerWaalsContact O-CG 3.25Å; V264-L268 WeakPolarHBondContact O-CG 3.49Å; V264-L268 PolarHBondContact O-N 2.81Å
265I90.6Very high83.7Confident94 Ų9494.1 Ų94.148%0.48251%0.509SS..Hα-helixtrans-63.6-44.9176.4-70.5161000110.5N261 D262 L268 T269N261-I265 WeakPolarHBondContact O-CB 3.32Å; N261-I265 WeakPolarHBondContact O-CD1 3.33Å; N261-I265 WeakPolarHBondContact O-CG1 3.49Å; N261-I265 PolarHBondContact O-N 2.73Å; D262-I265 PolarHBondContact O-N 3.33Å; I265-L268 PolarHBondContact O-N 3.46Å; I265-T269 WeakPolarHBondContact O-CB 3.45Å; I265-T269 PolarHBondContact O-N 3.44Å; I265-T269 PolarHBondContact O-OG1 2.91Å
266Q92.3Very high84.9Confident137 Ų13796 Ų9664%0.6451%0.51SS*.Hα-helixtrans-60.2-48.7176.9-73.9176.72.200111.3D262 V263 L268 T269 E270D262-Q266 WeakPolarHBondContact O-CG 3.36Å; D262-Q266 PolarHBondContact O-N 2.54Å; V263-Q266 PolarHBondContact O-N 2.81Å; Q266-L268 PolarHBondContact O-N 3.38Å; Q266-T269 WeakPolarHBondContact O-CB 3.28Å; Q266-T269 PolarHBondContact O-N 3.08Å; Q266-T269 VanDerWaalsContact O-N 3.16Å; Q266-E270 PolarHBondContact O-N 3.4Å
267K91.1Very high85.7Confident135 Ų13591.2 Ų91.259%0.58749%0.494SS*.Hα-helixtrans-62.3-42.3177.1-72.4-175.2178.2-171.20113V263 V264 T269 E270 V271V263-K267 HydrophobicContact CG1-CD 4.42Å; V263-K267 WeakPolarHBondContact O-CG 3.42Å; V263-K267 PolarHBondContact O-N 3.48Å; V264-K267 PolarHBondContact O-N 2.9Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 3.33Å; K267-E270 PolarHBondContact O-N 2.87Å; K267-V271 WeakPolarHBondContact O-CG2 3.42Å; K267-V271 PolarHBondContact O-N 2.92Å
268L92.7Very high85.8Confident99 Ų9994.2 Ų94.252%0.51851%0.506SS..Hα-helixtrans-65.4-34.7175.7-74.4171.7000111.8V264 I265 Q266 L272V264-L268 HydrophobicContact CG1-CD1 3.77Å; V264-L268 HydrophobicContact CG1-CG 4.25Å; V264-L268 WeakPolarHBondContact O-CB 3.27Å; V264-L268 VanDerWaalsContact O-CG 3.25Å; V264-L268 WeakPolarHBondContact O-CG 3.49Å; V264-L268 PolarHBondContact O-N 2.81Å; I265-L268 PolarHBondContact O-N 3.46Å; Q266-L268 PolarHBondContact O-N 3.38Å; L268-L272 VanDerWaalsContact O-CB 3.28Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 3.49Å
269T91.5Very high85.5Confident82 Ų8293 Ų9350%0.50352%0.515SS..Hα-helixtrans-66.8-40.7177.2-54.20000111.1I265 Q266 K267 S273I265-T269 WeakPolarHBondContact O-CB 3.45Å; I265-T269 PolarHBondContact O-N 3.44Å; I265-T269 PolarHBondContact O-OG1 2.91Å; Q266-T269 WeakPolarHBondContact O-CB 3.28Å; Q266-T269 PolarHBondContact O-N 3.08Å; Q266-T269 VanDerWaalsContact O-N 3.16Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 3.33Å; T269-S273 WeakPolarHBondContact O-CB 3.4Å; T269-S273 PolarHBondContact O-N 3.42Å
270E91.6Very high84.7Confident118 Ų118100.3 Ų100.355%0.55153%0.53SS*.Hα-helixtrans-61.4-53.6173.5-172.6173.8-16100111.3Q266 K267 L272 S273 E274Q266-E270 PolarHBondContact O-N 3.4Å; K267-E270 PolarHBondContact O-N 2.87Å; E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 2.94Å; E270-S273 WeakPolarHBondContact O-CA 3.47Å; E270-S273 WeakPolarHBondContact O-CB 3.23Å; E270-S273 PolarHBondContact O-N 3.02Å; E270-S273 PolarHBondContact O-OG 3.48Å; E270-E274 PolarHBondContact O-N 3.09Å; E270-E274 VanDerWaalsContact O-N 3.11Å
271V92.5Very high83.7Confident77 Ų77105 Ų10547%0.46754%0.538SS..Hα-helixtrans-58-42.5177.21730000111.8K267 S273 E274 V275K267-V271 WeakPolarHBondContact O-CG2 3.42Å; K267-V271 PolarHBondContact O-N 2.92Å; V271-S273 VanDerWaalsContact C-N 3.28Å; V271-S273 PolarHBondContact O-N 2.93Å; V271-E274 PolarHBondContact O-N 3.49Å; V271-V275 HydrophobicContact CG1-CG2 4.39Å; V271-V275 VanDerWaalsContact O-CG2 3.27Å; V271-V275 WeakPolarHBondContact O-CG2 3.37Å; V271-V275 PolarHBondContact O-N 2.89Å
272L90Very high82.4Confident84 Ų84110.4 Ų110.444%0.4456%0.557SS.*Hα-helixtrans-69-26.3177-72.6172.9000112.9L268 E270 R276L268-L272 VanDerWaalsContact O-CB 3.28Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 3.49Å; E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 2.94Å; L272-R276 VanDerWaalsContact O-CB 3.31Å; L272-R276 WeakPolarHBondContact O-CB 3.36Å; L272-R276 VanDerWaalsContact O-CG 3.22Å; L272-R276 WeakPolarHBondContact O-CG 3.13Å; L272-R276 PolarHBondContact O-N 3.47Å; L272-R276 VanDerWaalsContact O-N 3.08Å
273S87.6Confident80.8Confident65 Ų65115.7 Ų115.746%0.45558%0.577SS.*Hα-helixtrans-70.9-40.817577.70000111.4T269 E270 V271 R276 A277T269-S273 WeakPolarHBondContact O-CB 3.4Å; T269-S273 PolarHBondContact O-N 3.42Å; E270-S273 WeakPolarHBondContact O-CA 3.47Å; E270-S273 WeakPolarHBondContact O-CB 3.23Å; E270-S273 PolarHBondContact O-N 3.02Å; E270-S273 PolarHBondContact O-OG 3.48Å; V271-S273 VanDerWaalsContact C-N 3.28Å; V271-S273 PolarHBondContact O-N 2.93Å; S273-R276 PolarHBondContact O-N 2.72Å; S273-A277 WeakPolarHBondContact O-CB 3.4Å; S273-A277 PolarHBondContact O-N 3.33Å
274E88.9Confident78.8Confident116 Ų116121.5 Ų121.554%0.54260%0.596SS.*Hα-helixtrans-65.7-49.3174.8-66.1-180166.400111.3E270 V271 R276 A277 D278E270-E274 PolarHBondContact O-N 3.09Å; E270-E274 VanDerWaalsContact O-N 3.11Å; V271-E274 PolarHBondContact O-N 3.49Å; E274-R276 PolarHBondContact O-N 3.17Å; E274-A277 WeakPolarHBondContact O-CA 3.19Å; E274-A277 WeakPolarHBondContact O-CB 3.2Å; E274-A277 PolarHBondContact O-N 2.85Å; E274-D278 PolarHBondContact O-N 3.2Å
275V88.5Confident76.7Confident92 Ų92126.4 Ų126.456%0.55861%0.614SS**Hα-helixtrans-60.5-35.1177.9173.60000111.7V271 G279V271-V275 HydrophobicContact CG1-CG2 4.39Å; V271-V275 VanDerWaalsContact O-CG2 3.27Å; V271-V275 WeakPolarHBondContact O-CG2 3.37Å; V271-V275 PolarHBondContact O-N 2.89Å; V275-G279 PolarHBondContact O-N 3.49Å
276R84.5Confident74.2Confident170 Ų170131.3 Ų131.364%0.64263%0.632SS**Hα-helixtrans-73.9-30.2173.9-77.3-177.5-168.1128.8-0.9113.2L272 S273 E274L272-R276 VanDerWaalsContact O-CB 3.31Å; L272-R276 WeakPolarHBondContact O-CB 3.36Å; L272-R276 VanDerWaalsContact O-CG 3.22Å; L272-R276 WeakPolarHBondContact O-CG 3.13Å; L272-R276 PolarHBondContact O-N 3.47Å; L272-R276 VanDerWaalsContact O-N 3.08Å; S273-R276 PolarHBondContact O-N 2.72Å; E274-R276 PolarHBondContact O-N 3.17Å
277A78.5Confident71.7Confident45 Ų45133.9 Ų133.937%0.37264%0.644SS.*Hα-helixtrans-69.9-39.4175.600000111.2S273 E274 G279 R280S273-A277 WeakPolarHBondContact O-CB 3.4Å; S273-A277 PolarHBondContact O-N 3.33Å; E274-A277 WeakPolarHBondContact O-CA 3.19Å; E274-A277 WeakPolarHBondContact O-CB 3.2Å; E274-A277 PolarHBondContact O-N 2.85Å; A277-G279 VanDerWaalsContact C-N 3.29Å; A277-G279 PolarHBondContact O-N 2.88Å; A277-R280 PolarHBondContact O-N 3.18Å
278D66.6Low69.1Low114 Ų114132.6 Ų132.661%0.6165%0.652SS**Hα-helixtrans-64.6-31.2177-79.4-15.2000113.1E274 R280E274-D278 PolarHBondContact O-N 3.2Å; D278-R280 VanDerWaalsContact C-N 3.29Å; D278-R280 PolarHBondContact O-N 3.4Å
279G63.7Low66.7Low62 Ų62137 Ų13764%0.63967%0.67SS**Hα-helixtrans-70.4-17.7175.900000115.2V275 A277V275-G279 PolarHBondContact O-N 3.49Å; A277-G279 VanDerWaalsContact C-N 3.29Å; A277-G279 PolarHBondContact O-N 2.88Å
280R59.3Low64.1Low211 Ų211141.8 Ų141.880%0.79669%0.686SS**Hα-helixtrans-102.5-14.7-177.5-67.2-170.2-172.9-167.12.6114.3A277 D278A277-R280 PolarHBondContact O-N 3.18Å; D278-R280 VanDerWaalsContact C-N 3.29Å; D278-R280 PolarHBondContact O-N 3.4Å
281R58.4Low61.9Low186 Ų186143.9 Ų143.970%0.70270%0.696SS**Hα-helixtrans-80.2-17.6-180-69.6-176.7173.1-174.8-2.4113.8K283R281-K283 VanDerWaalsContact C-N 3.35Å; R281-K283 PolarHBondContact O-N 3.39Å
282K56.8Low59.3Low203 Ų203145.8 Ų145.888%0.88371%0.708SS**THydrogen-bonded Turntrans-827.1177.9-82.8-175.1174.2179.20116.6
283K53.1Low57Low198 Ų198147.6 Ų147.686%0.86172%0.718SS**THydrogen-bonded Turntrans-134.414.5-176.5-150.4177.4178.1176.30115.6R281R281-K283 VanDerWaalsContact C-N 3.35Å; R281-K283 PolarHBondContact O-N 3.39Å
284K46Very low54.8Low193 Ų193152.1 Ų152.184%0.83973%0.732SS**SBendtrans-142.120.8-173.7-134.2-178.1-179.7-171.20116.7
285E46.5Very low52.4Low174 Ų174151.6 Ų151.681%0.81374%0.737SS**  trans-123.573.3174.5-72.5176.4-176.700109.5
286K38.7Very low50.1Low197 Ų197156.4 Ų156.486%0.85775%0.751SS**SBendtrans-156.6120.7163-132.1175.9-176.4178.70105.5
287E38.2Very low47.9Very low190 Ų190158.2 Ų158.289%0.88876%0.763SS**SBendtrans100.2128.8-175.5-58.6174.5-179.200114.9
288S37.2Very low46.1Very low108 Ų108165.4 Ų165.476%0.75579%0.789SS**  trans7192.5175.477.90000117.6
289E41.8Very low45.3Very low193 Ų193165.2 Ų165.290%0.90280%0.797SS**  174.3104.8100-93.6172.6-18000109.9
290E38.7Very low44.9Very low181 Ų181169.8 Ų169.885%0.84681%0.805SS**  trans-85.3126.8171.4-160.2174.1-155.900106.9
291Q44.6Very low44.4Very low162 Ų162164.8 Ų164.876%0.75781%0.808SS**  trans133.9113146.7-73.1-1795.800115.8
292T37.2Very low44.4Very low117 Ų117161.4 Ų161.472%0.71881%0.814SS**  trans76.2133.2147.368.60000117.3
293N41.3Very low44.6Very low122 Ų122155.4 Ų155.465%0.65280%0.801SS**  cis-167.5141.9-2.8-109.9-4.9000106.3
294E43Very low45.3Very low160 Ų160152.1 Ų152.175%0.74879%0.793SS**  trans64.1134.9139.9-60.4177.1-163.600119
295T37.7Very low46.3Very low106 Ų106150.2 Ų150.265%0.6579%0.791SS**  cis-169.4150.22.85.30000107.7
296K39.7Very low47.4Very low193 Ų193150 Ų15084%0.83978%0.784SS**  trans7688.3150.7-63.3162.7-175.8177.70119.5
297K39.4Very low48.8Very low207 Ų207148.8 Ų148.890%0.978%0.781SS**  trans-167.421.3136.2-125.2177.8-178.9179.50119.6
298E41Very low50.2Low197 Ų197143.5 Ų143.592%0.92178%0.777SS**  trans-135.895.3-175.5-65.2-179.2-177.400112
299S49.1Very low51.6Low109 Ų109143.9 Ų143.976%0.76277%0.77SS**SBendtrans-141.121.5170.570.70000113.3
300I54.6Low53.1Low159 Ų159137.8 Ų137.882%0.81576%0.758SS**SBendtrans-131.1-11.8-175.3-62.2178.1000114.1
301A50.4Low54.7Low105 Ų105138.1 Ų138.187%0.86876%0.76SS**SBendtrans-111.4-3.5-171.600000115.8
302S57.4Low56Low116 Ų116139.4 Ų139.481%0.81176%0.759SS**  trans-97.928.9-178.457.60000113.5
303A60.1Low57.7Low76 Ų76139.5 Ų139.563%0.62876%0.76SS**  trans-92.6106.4169.600000108.5I305A303-I305 PolarHBondContact O-N 3.25Å; A303-I305 VanDerWaalsContact O-N 3.1Å
304D67.9Low59.2Low129 Ų129137.2 Ų137.269%0.6975%0.751SS**  trans-62.1111.1168.9-84-30.5000108.6Y306 E307D304-Y306 PolarHBondContact O-N 2.98Å; D304-E307 HydrophobicContact CB-CB 4.3Å; D304-E307 PolarHBondContact O-N 3.33Å; D304-E307 VanDerWaalsContact O-N 3.12Å
305I67.2Low60.3Low154 Ų154134.6 Ų134.679%0.7975%0.748SS**THydrogen-bonded Turntrans-60.4-10-178.7-37.5175.5000111.8A303A303-I305 PolarHBondContact O-N 3.25Å; A303-I305 VanDerWaalsContact O-N 3.1Å
306Y70.7Confident60.7Low169 Ų169135.1 Ų135.166%0.66375%0.751SS**THydrogen-bonded Turntrans-115.88.8-175.2-64-89.1000113.9D304 G308 I309D304-Y306 PolarHBondContact O-N 2.98Å; Y306-G308 PolarHBondContact O-N 3.47Å; Y306-I309 HydrophobicContact CD1-CD1 3.37Å; Y306-I309 HydrophobicContact CD1-CG1 4.49Å; Y306-I309 HydrophobicContact CE1-CD1 3.87Å; Y306-I309 HydrophobicContact CG-CD1 4.32Å; Y306-I309 PolarHBondContact O-N 2.98Å
307E66.9Low61Low172 Ų172133.6 Ų133.680%0.80475%0.751SS**THydrogen-bonded Turntrans-61.6-11.4-178.8-161.7174.8-178.600113.8D304D304-E307 HydrophobicContact CB-CB 4.3Å; D304-E307 PolarHBondContact O-N 3.33Å; D304-E307 VanDerWaalsContact O-N 3.12Å
308G67.7Low61.4Low78 Ų78129.9 Ų129.980%0.80474%0.741SS**THydrogen-bonded Turntrans-113.14.9176.200000116.1Y306Y306-G308 PolarHBondContact O-N 3.47Å
309I67Low61.2Low117 Ų117126.8 Ų126.860%0.674%0.738SS**SBendtrans-99.8104.6178.3-64.3162000107.4Y306Y306-I309 HydrophobicContact CD1-CD1 3.37Å; Y306-I309 HydrophobicContact CD1-CG1 4.49Å; Y306-I309 HydrophobicContact CE1-CD1 3.87Å; Y306-I309 HydrophobicContact CG-CD1 4.32Å; Y306-I309 PolarHBondContact O-N 2.98Å
310G73.4Confident60.7Low64 Ų64126 Ų12666%0.6673%0.732SS**  trans-52.1155.2177.600000112.9Y312G310-Y312 PolarHBondContact O-N 2.96Å
311E72.8Confident60Low189 Ų189123.8 Ų123.888%0.88373%0.731SS**  trans-46.4117.7-176.5-153.9170.9-162.400111.9V313E311-V313 PolarHBondContact O-N 3.36Å; E311-V313 VanDerWaalsContact O-N 3.07Å
312Y72.4Confident59.7Low189 Ų189127.9 Ų127.974%0.74173%0.732SS**  trans-65.8108.6-179.8175.4-99.5000110G310 P314G310-Y312 PolarHBondContact O-N 2.96Å; Y312-P314 HydrophobicContact CE1-CB 3.94Å; Y312-P314 VanDerWaalsContact O-CD 3.28Å; Y312-P314 WeakPolarHBondContact O-CD 3.13Å
313V71.6Confident58.8Low119 Ų119131.8 Ų131.872%0.72174%0.735SS**  trans-90.5106.5172.2-176.80000108.4E311E311-V313 PolarHBondContact O-N 3.36Å; E311-V313 VanDerWaalsContact O-N 3.07Å
314P74.3Confident57.6Low74 Ų74136.7 Ų136.748%0.48175%0.745SS.*  trans-63.9140176.526.1-33000110.1Y312 V316Y312-P314 HydrophobicContact CE1-CB 3.94Å; Y312-P314 VanDerWaalsContact O-CD 3.28Å; Y312-P314 WeakPolarHBondContact O-CD 3.13Å; P314-V316 PolarHBondContact O-N 3.38Å
315P64.4Low56.2Low104 Ų104135.6 Ų135.668%0.67575%0.747SS**  trans-64.5107.9176.525.7-31.4000109L317P315-L317 PolarHBondContact O-N 2.9Å
316V46.5Very low55.1Low118 Ų118136.5 Ų136.572%0.71575%0.753SS**  trans-67.799.6169.1-1690000106.2P314 N318P314-V316 PolarHBondContact O-N 3.38Å; V316-N318 PolarHBondContact O-N 3.28Å
317L47.3Very low53.5Low161 Ų161137.6 Ų137.684%0.84376%0.764SS**  trans-66.1100168-71.3173000107.5P315 P319P315-L317 PolarHBondContact O-N 2.9Å; L317-P319 VanDerWaalsContact O-CD 3.29Å; L317-P319 WeakPolarHBondContact O-CD 3.43Å
318N47.1Very low52.7Low129 Ų129139.2 Ų139.269%0.6977%0.768SS**  trans-55.6117.4170.4-69.7-29.8000109.6V316 S320V316-N318 PolarHBondContact O-N 3.28Å; N318-S320 PolarHBondContact O-N 2.95Å
319P37.1Very low51.3Low132 Ų132141 Ų14186%0.85777%0.766SS**  trans-89.581.1167.333.8-23.9000107L317L317-P319 VanDerWaalsContact O-CD 3.29Å; L317-P319 WeakPolarHBondContact O-CD 3.43Å
320S37.5Very low50Low92 Ų92147.1 Ų147.164%0.64378%0.781SS**  trans-150.4128.8172.960.40000110.6N318N318-S320 PolarHBondContact O-N 2.95Å
321S40.5Very low48.3Very low113 Ų113153.3 Ų153.379%0.7979%0.79SS**  trans84.571.5170.482.20000118.4
322E43.1Very low46.5Very low191 Ų191151.1 Ų151.189%0.89378%0.784SS**  trans-163.983.1137.1-100.3171.5-155.200104.9
323K40Very low44.9Very low198 Ų198146.8 Ų146.886%0.86179%0.788SS**  23.1108.894.9-68.3-174.8-179.6-179.30109.9
324E34.2Very low43.6Very low179 Ų179149.8 Ų149.884%0.83679%0.794SS**  -179.814650.6-160.9166.1-165.800107.9
325S39Very low42Very low106 Ų106153.3 Ų153.374%0.74180%0.804SS**  trans81.8129.4167.777.70000119.7
326L44.2Very low40.9Very low173 Ų173152.4 Ų152.491%0.90681%0.805SS**  trans93.163.9166.9-64.5128.9000119
327E37.1Very low40.6Very low191 Ų191158.3 Ų158.389%0.89382%0.815SS**  trans-109.6124.4147-86.6-162.6143.600110.4
328K50.1Low40.4Very low207 Ų207157.2 Ų157.290%0.981%0.809SS**  trans176.7155.6144.7-102168.1-167.5-177.90111.1
329P38.6Very low40.1Very low116 Ų116157.9 Ų157.975%0.75381%0.813SS**  -115.7164.4-10028.1-10.8000114.6K331P329-K331 PolarHBondContact O-N 2.84Å
330R38Very low40.4Very low244 Ų244160.2 Ų160.292%0.92182%0.819SS**  trans-46.4122159.9-73.8173.8155.2141.5-4.9110.8
331K38.1Very low40.4Very low195 Ų195159.9 Ų159.985%0.84882%0.821SS**  trans151.382.7154.3-86164.4-174-173.90106.8P329P329-K331 PolarHBondContact O-N 2.84Å
332N36.5Very low40.4Very low142 Ų142163.8 Ų163.876%0.75983%0.827SS**  trans-178.931163.5-94.5-6.6000114.7
333A37.9Very low40.2Very low99 Ų99161.9 Ų161.982%0.81882%0.823SS**SBendtrans-104.15.317800000114.3
334Q43.5Very low40.3Very low181 Ų181159.8 Ų159.885%0.84682%0.821SS**SBendtrans-116.714.4-176.9-14882.412.600113.5
335Q42Very low40.5Very low148 Ų148156.7 Ų156.769%0.69282%0.819SS**SBendtrans-130.514.3-176.1-91.1178.8-1800114.4
336A40.1Very low40.4Very low85 Ų85156 Ų15670%0.70282%0.82SS**SBendtrans-112.421.3-174.700000114.8
337R41.3Very low40.5Very low243 Ų243156.3 Ų156.392%0.91782%0.822SS**SBendtrans-13723.3174.5-69.2-168.3-179.5176.11.3114.7
338D42.5Very low40.6Very low137 Ų137155.8 Ų155.873%0.73382%0.819SS**SBendtrans-124.327-179.4-72.6-31.3000113.4
339N41.7Very low40.3Very low144 Ų144151.6 Ų151.677%0.7781%0.811SS**  trans-125.56.6-178.1-77.2-46000116.5
340D42.1Very low40.5Very low181 Ų181155.4 Ų155.497%0.96882%0.816SS**SBendtrans-10237.1174.2-69-41.6000112.4
341A37.8Very low40.5Very low85 Ų85153.2 Ų153.270%0.70281%0.813SS**  trans-137.456-176.700000111.2
342Q40.6Very low40.5Very low195 Ų195150 Ų15091%0.91181%0.812SS**  trans-173.579.1162.5-108.5167.416.800110.6
343D39.5Very low40.7Very low151 Ų151148.3 Ų148.381%0.80781%0.811SS**  trans-152.7139150.4-141.7-10.3000110.3
344N41.1Very low40.7Very low154 Ų154149.8 Ų149.882%0.82481%0.812SS**  trans87.959.6-168.8-52.6-55.5000116.6
345S38.3Very low40.5Very low114 Ų114146.3 Ų146.380%0.79781%0.808SS**  trans-71.4148.2144.354.70000111.1
346A37.8Very low40Very low92 Ų92148 Ų14876%0.7681%0.813SS**  trans8593.1169.900000116.5
347L45.1Very low39.9Very low178 Ų178150.2 Ų150.293%0.93281%0.813SS**  -166.1122.2108.3-94.8158.6000109.7
348E40.2Very low39.4Very low181 Ų181143 Ų14385%0.84681%0.805SS**  trans-58.2150.5175.6-66.7179.9110.400112.2
349V43.9Very low39.1Very low119 Ų119142 Ų14272%0.72181%0.809SS**  167.4108.7112.3163.10000109.5
350K43.5Very low39Very low196 Ų196139.8 Ų139.885%0.85281%0.805SS**  trans55.1107.2140.2-59.4177.6-178172.30120.3
351K36.5Very low38.7Very low198 Ų198139 Ų13986%0.86180%0.795SS**  trans-62.9160.9150.6-62.9174.4173.9171.90110.5
352P39.6Very low38.5Very low128 Ų128143.4 Ų143.483%0.83181%0.806SS**  -144.3176.590.831.5-10.5000116.1
353S40.7Very low38.2Very low106 Ų106139 Ų13974%0.74180%0.803SS**  trans-56.9163.4-167.741.10000119.6
354P37.3Very low37.9Very low130 Ų130135.6 Ų135.684%0.84480%0.796SS**  trans-89.2131.9-176.435.4-29.9000111.7
355S39.1Very low38Very low107 Ų107134.1 Ų134.175%0.74879%0.793SS**  trans-148.6122.4167.163.60000111
356F31.9Very low37.9Very low185 Ų185133.5 Ų133.581%0.81179%0.789SS**  trans69.3133.5134.5-117.6-114.5000120.6
357N37.4Very low38Very low131 Ų131136.5 Ų136.570%0.70179%0.792SS**  trans76.4112.3163.5-54.7-27.1000116.1
358A31.7Very low37.8Very low90 Ų90136.5 Ų136.574%0.74479%0.792SS**  57.29460.400000113.8
359S36.2Very low37.7Very low116 Ų116137.1 Ų137.181%0.81179%0.794SS**  trans141.2146.3136.5-61.80000112.7
360S37.8Very low37.4Very low98 Ų98140.8 Ų140.869%0.68580%0.801SS**  trans75.5140.8164.8112.70000114.5
361E37.3Very low37.1Very low165 Ų165142.9 Ų142.977%0.77180%0.803SS**  cis-163.5130.85.9-99.7146.2151.900104.8
362L33.9Very low37.3Very low177 Ų177142.6 Ų142.693%0.92780%0.802SS**  29.19396.5-71.4175000116.7
363A34Very low36.9Very low102 Ų102145.1 Ų145.184%0.84380%0.803SS**  trans159.4143.6152.200000106
364A33.1Very low36.7Very low81 Ų81147.2 Ų147.267%0.66981%0.806SS**  cis-167.6-177.2-0.500000105.4
365T42.9Very low37.1Very low123 Ų123149.5 Ų149.576%0.75581%0.809SS**  trans77.689.4163.876.90000114.9
366S37.1Very low36.9Very low101 Ų101155.4 Ų155.471%0.70682%0.815SS**  4497.882.875.40000111.5
367D38.4Very low37Very low154 Ų154153.9 Ų153.982%0.82482%0.815SS**  trans161.796.9151.5-83.9-25.5000109.2
368L42.4Very low36.9Very low178 Ų178153.5 Ų153.593%0.93282%0.823SS**  trans176.541.7149.3-93.1149.8000110.8
369Q38Very low37.4Very low194 Ų194158.3 Ų158.391%0.90783%0.83SS**  trans-101.787.3156.9-80.5178.2-63.300107
370K36Very low37.2Very low197 Ų197160.3 Ų160.386%0.85783%0.831SS**  trans175.186.3163.7-102.8164.9-174.2-176.70108.3
371R37.9Very low37.2Very low239 Ų239162.2 Ų162.290%0.90284%0.839SS**SBendtrans-167.395.1147-107.1163.8-174.6-149.81.4110.9
372K39.8Very low36.9Very low193 Ų193165.3 Ų165.384%0.83984%0.844SS**  trans80.680.5139-67.9-176.4167.1-169.70117.9
373E33Very low36.8Very low181 Ų181166 Ų16685%0.84683%0.834SS**  -52.2133.8123-67.2166.8154.100109.9
374D36.7Very low36.8Very low149 Ų149168.4 Ų168.480%0.79783%0.828SS**  trans154141.7155.9-77.6-20.4000107.4
375I44.8Very low36.7Very low178 Ų178167.8 Ų167.891%0.91383%0.829SS**  trans95.952.9-168.7-42.1156.7000113.2
376R34.2Very low36.3Very low231 Ų231174.5 Ų174.587%0.87284%0.841SS**  trans-112149.8135.3-91.6176-88.6-179.8-3.7106.3
377D33.7Very low36.2Very low153 Ų153174.4 Ų174.482%0.81885%0.846SS**  trans85.292.4174.6-52.2-18.7000117
378S35.3Very low36.1Very low123 Ų123170.3 Ų170.386%0.8684%0.841SS**  trans179.6138.3132.7-82.30000111.3
379Q42.3Very low36.3Very low192 Ų192170.7 Ų170.790%0.89784%0.838SS**  trans96.858169.1-52.3-159.8-15.900117.6
380D31.9Very low36.4Very low157 Ų157171 Ų17184%0.8484%0.839SS**  -81.9151.3128.2-99.8-39.8000109.7
381T37.9Very low36.6Very low139 Ų139165.1 Ų165.185%0.85383%0.828SS**  trans102.6128.2169.777.30000118.2
382R32.7Very low36.7Very low229 Ų229165.8 Ų165.886%0.86483%0.83SS**  trans100.288.4153-147.5168.9-168.7-164.21.6115.5
383R31.2Very low36.6Very low193 Ų193160.1 Ų160.173%0.72883%0.827SS**  87.8121.985.2-100.6-171.3177.3-125.51.9113.3
384E33.1Very low37.1Very low152 Ų152159 Ų15971%0.7183%0.825SS**  trans68.3116.7132.9-67.7169.8178.300119.6
385G31.7Very low37.1Very low68 Ų68161.7 Ų161.770%0.70183%0.83SS**  trans116.284.4136.300000116.6
386W35Very low36.9Very low263 Ų263160.3 Ų160.3100%0.99682%0.823SS**  -156.6108.6123.9-112.2-37.9000111.4
387A34.3Very low37Very low99 Ų99152.5 Ų152.582%0.81882%0.815SS**  trans-85.5150.9166.300000110
388G36.8Very low37.5Very low69 Ų69151.9 Ų151.971%0.71181%0.81SS**  trans156.466.8172.900000110.3
389Q45Very low37.6Very low185 Ų185149 Ų14986%0.86480%0.799SS**  63.297.998-72.9-173.6-2.700114
390Q41.6Very low37.4Very low200 Ų200145.6 Ų145.694%0.93580%0.797SS**  160.8140.9129.3-92.7174.7-17.100108.1
391A40.5Very low38.1Very low75 Ų75143 Ų14362%0.6279%0.791SS**  cis-167125.3-23.900000104.3
392R39.5Very low38.7Very low252 Ų252142.9 Ų142.995%0.95179%0.79SS**  trans64.7109.2140.3-57.1177.4172.7-159.6-5118.6
393G37.3Very low39.5Very low75 Ų75137.8 Ų137.877%0.77378%0.78SS**  trans174.544.9164.600000115.5
394I43.2Very low41Very low158 Ų158132.8 Ų132.881%0.8178%0.775SS**  trans25.4100.2159.1-51.7173.2000117.8L396I394-L396 HydrophobicContact CG2-CD1 4.5Å
395K36.8Very low42.5Very low205 Ų205133.3 Ų133.389%0.89177%0.771SS**  trans-103.7116.3154.6-179.3172.9-175.7171.50107.4
396L41.5Very low44Very low148 Ų148133.9 Ų133.978%0.77577%0.769SS**  trans-119.4103.9163.6-87.7166.8000108.4I394I394-L396 HydrophobicContact CG2-CD1 4.5Å
397G36.6Very low45.5Very low67 Ų67128.6 Ų128.669%0.69176%0.756SS**  trans-75.9136.6156.800000109
398I43.1Very low47.2Very low140 Ų140127.7 Ų127.772%0.71874%0.743SS**  trans-132.697.3162.3-66.1172.8000105.7
399G37.7Very low48.8Very low62 Ų62132.1 Ų132.164%0.63974%0.739SS**  trans-66.6157.1149.400000109.3
400S37.5Very low49.6Very low121 Ų121129.7 Ų129.785%0.84674%0.739SS**SBendtrans60.376.6165.469.10000117.3
401S47.5Very low50.6Low102 Ų102122.6 Ų122.671%0.71372%0.72SS**  173.1121.3128.440.30000107.4D403S401-D403 PolarHBondContact O-N 3.47Å; S401-D403 VanDerWaalsContact O-N 3.08Å
402V50.9Low51.5Low137 Ų137121.4 Ų121.483%0.8372%0.715SS**  trans-70.6104174.4176.80000106.4S404V402-S404 PolarHBondContact O-N 2.92Å; V402-S404 VanDerWaalsContact O-N 3.09Å
403D49.2Very low52.4Low122 Ų122117.6 Ų117.665%0.65271%0.712SS**  trans-76.396.5179.6-154.7-4.4000108.8S401 Y405 A406S401-D403 PolarHBondContact O-N 3.47Å; S401-D403 VanDerWaalsContact O-N 3.08Å; D403-Y405 PolarHBondContact O-N 3.5Å; D403-A406 WeakPolarHBondContact O-CB 3.26Å; D403-A406 PolarHBondContact O-N 2.89Å
404S61.1Low53.4Low89 Ų89117.8 Ų117.862%0.62271%0.706SS**THydrogen-bonded Turntrans-56.8-6.1-178.8-177.90000114V402V402-S404 PolarHBondContact O-N 2.92Å; V402-S404 VanDerWaalsContact O-N 3.09Å
405Y65.2Low54.2Low163 Ų163116.7 Ų116.764%0.63970%0.702SS**THydrogen-bonded Turntrans-85.7-16.7176.3-150.5-103.1000113.4D403 E407 C408 Y409D403-Y405 PolarHBondContact O-N 3.5Å; Y405-E407 VanDerWaalsContact C-N 3.28Å; Y405-E407 PolarHBondContact O-N 2.72Å; Y405-C408 PolarHBondContact O-N 3.27Å; Y405-Y409 HydrophobicContact CE1-CE2 4.48Å
406A63.1Low55.1Low80 Ų80116 Ų11666%0.66170%0.699SS**G310 helixtrans-73.7-16.9178.800000113.6D403 C408D403-A406 WeakPolarHBondContact O-CB 3.26Å; D403-A406 PolarHBondContact O-N 2.89Å; A406-C408 VanDerWaalsContact C-N 3.33Å
407E66.6Low55.9Low152 Ų152116.2 Ų116.271%0.7170%0.701SS**G310 helixtrans-77.5-17.4176.5-65.6-177.6177.500113.1Y405 Y409Y405-E407 VanDerWaalsContact C-N 3.28Å; Y405-E407 PolarHBondContact O-N 2.72Å; E407-Y409 VanDerWaalsContact C-N 3.34Å; E407-Y409 PolarHBondContact O-N 3.45Å
408C71.1Confident56.8Low80 Ų80117 Ų11754%0.54170%0.701SS.*G310 helixtrans-82.4-4.9-176.9-68.10000114.5Y405 A406Y405-C408 PolarHBondContact O-N 3.27Å; A406-C408 VanDerWaalsContact C-N 3.33Å
409Y70.7Confident57.6Low162 Ų162114.7 Ų114.764%0.63570%0.702SS**  trans-139.679.4178.2-67.6-80.5000111.6Y405 E407 G411 G412Y405-Y409 HydrophobicContact CE1-CE2 4.48Å; E407-Y409 VanDerWaalsContact C-N 3.34Å; E407-Y409 PolarHBondContact O-N 3.45Å; Y409-G411 PolarHBondContact O-N 2.9Å; Y409-G412 PolarHBondContact O-N 3.02Å
410P61.2Low58.6Low134 Ų134115.1 Ų115.187%0.8771%0.707SS**THydrogen-bonded Turntrans-70.125.8-175.8-13.729.8000115
411G62.4Low59Low51 Ų51117.5 Ų117.553%0.52671%0.71SS.*THydrogen-bonded Turntrans-152.8-0.7-177.600000115.1Y409Y409-G411 PolarHBondContact O-N 2.9Å
412G60.1Low59.5Low50 Ų50117.8 Ų117.852%0.51571%0.712SS.*THydrogen-bonded Turntrans-73.6-25.3-176.700000114.5Y409Y409-G412 PolarHBondContact O-N 3.02Å
413L58.3Low59.6Low172 Ų172117.4 Ų117.490%0.90171%0.705SS**THydrogen-bonded Turntrans-83.6-13.4-178.2-142.676.9000113.5
414A57.6Low59.8Low78 Ų78118.4 Ų118.465%0.64571%0.711SS**SBendtrans-89.7-13.7-178.500000113.7
415L59.7Low59.7Low136 Ų136123.5 Ų123.571%0.71273%0.725SS**SBendtrans-93.8-14-175.2-161.864.4000113.5
416F56.1Low59.5Low191 Ų191119.2 Ų119.284%0.83872%0.723SS**SBendtrans-94.2-12.9-178.6-111.6-92.4000114.4
417D57.5Low59.1Low152 Ų152122.6 Ų122.681%0.81373%0.73SS**SBendtrans-89.8-8.4178-158.532.8000112.8
418A57.2Low58.8Low84 Ų84124 Ų12469%0.69473%0.73SS**SBendtrans-105.38.3-175.600000114.3
419A59.5Low58.6Low90 Ų90124 Ų12474%0.74473%0.731SS**SBendtrans-115.713.2-174.300000114.3
420G58.4Low57.9Low71 Ų71125 Ų12573%0.73274%0.738SS**  trans-112.29.3-176.100000116.1
421D46.5Very low57.8Low171 Ų171126.4 Ų126.491%0.91474%0.735SS**  trans-104.887.2-170.7-153.616.7000111.5
422S57.1Low57.5Low108 Ų108127.3 Ų127.376%0.75573%0.728SS**  trans-165.9128.9177.2-177.60000104.3
423D53.9Low57.3Low130 Ų130129.3 Ų129.370%0.69573%0.726SS**  cis-174.9154.610.3-172.99.2000104.8
424D53.5Low57.4Low142 Ų142126.6 Ų126.676%0.75972%0.717SS**  trans61.489.2166.5-65.5-35.1000121.5
425E57.5Low57.6Low197 Ų197127.9 Ų127.992%0.92171%0.71SS**  trans-128.4128.5151.5-83.6-169.7164.500112.9
426A61.7Low57.9Low72 Ų72126.7 Ų126.760%0.59570%0.699SS**  trans-58.9133.6-170.800000113.9Y428A426-Y428 HydrophobicContact CB-CD2 4.33Å; A426-Y428 HydrophobicContact CB-CE2 3.79Å; A426-Y428 WeakPolarHBondContact O-CD2 3.3Å; A426-Y428 PolarHBondContact O-N 3.46Å
427D55.5Low58.3Low151 Ų151124 Ų12481%0.80769%0.691SS**  trans-78.777.3-169.3-145.8-3.3000112.3S429D427-S429 PolarHBondContact O-N 3.31Å
428Y59.8Low58.9Low182 Ų182119.7 Ų119.771%0.71468%0.676SS**G310 helixtrans-77.110.1176.8-66.5-71.9000114A426 K430A426-Y428 HydrophobicContact CB-CD2 4.33Å; A426-Y428 HydrophobicContact CB-CE2 3.79Å; A426-Y428 WeakPolarHBondContact O-CD2 3.3Å; A426-Y428 PolarHBondContact O-N 3.46Å; Y428-K430 PolarHBondContact O-N 2.71Å
429S67.2Low59.7Low81 Ų81121.5 Ų121.557%0.56667%0.668SS**G310 helixtrans-61.3-11-176.51800000114.8D427D427-S429 PolarHBondContact O-N 3.31Å
430K56.2Low60.4Low182 Ų182125.9 Ų125.979%0.79167%0.665SS**G310 helixtrans-96.8-17.9-171.2-134.6171.6-172.8172.40115.7Y428Y428-K430 PolarHBondContact O-N 2.71Å
431M58.9Low61.1Low163 Ų163125.3 Ų125.380%0.80365%0.654SS**THydrogen-bonded Turntrans-94.5-18.1-179-73.1176.764.500113.8
432D56.2Low62.6Low70 Ų70119.9 Ų119.937%0.37463%0.633SS.*Hα-helixtrans-84.9-14.7-177.7-106.68.5000114.2V434 E435 K436D432-V434 VanDerWaalsContact C-N 3.3Å; D432-V434 PolarHBondContact O-N 3.49Å; D432-E435 PolarHBondContact O-N 3.47Å; D432-K436 HydrophobicContact CB-CD 4.08Å; D432-K436 WeakPolarHBondContact O-CB 3.32Å; D432-K436 WeakPolarHBondContact O-CG 3.31Å; D432-K436 PolarHBondContact O-N 3.44Å; D432-K436 WeakPolarHBondContact OD2-CE 2.73Å; D432-K436 IonicContact OD2-NZ 2.72Å; D432-K436 PolarHBondContact OD2-NZ 2.78Å
433L56Low63.6Low92 Ų92124 Ų12448%0.48263%0.632SS.*Hα-helixtrans-66.2-34.1-175.3-73.7166.8000111.7M437L433-M437 WeakPolarHBondContact O-CB 3.35Å; L433-M437 WeakPolarHBondContact O-CG 3.32Å; L433-M437 PolarHBondContact O-N 2.65Å
434V59Low64.8Low116 Ų116122.6 Ų122.670%0.70362%0.623SS**Hα-helixtrans-70.5-43.1179.9-178.20000111.1D432 M437 A438D432-V434 VanDerWaalsContact C-N 3.3Å; D432-V434 PolarHBondContact O-N 3.49Å; V434-M437 PolarHBondContact O-N 3.48Å; V434-A438 PolarHBondContact O-N 2.82Å
435E63.2Low66.1Low105 Ų105118.9 Ų118.949%0.49161%0.609SS.*Hα-helixtrans-75.3-35178.7-152.5-171.615700112.1D432 A438 K439D432-E435 PolarHBondContact O-N 3.47Å; E435-A438 PolarHBondContact O-N 3.05Å; E435-K439 WeakPolarHBondContact O-CB 3.27Å; E435-K439 WeakPolarHBondContact O-CG 3.41Å; E435-K439 PolarHBondContact O-N 2.69Å; E435-K439 WeakPolarHBondContact OE1-CE 3.22Å; E435-K439 IonicContact OE1-NZ 3.22Å; E435-K439 PolarHBondContact OE1-NZ 2.86Å
436K65.4Low67.2Low111 Ų111114.2 Ų114.248%0.48359%0.589SS.*Hα-helixtrans-67.5-36.5173-72.5172-173.5161.70111.7D432 R440D432-K436 HydrophobicContact CB-CD 4.08Å; D432-K436 WeakPolarHBondContact O-CB 3.32Å; D432-K436 WeakPolarHBondContact O-CG 3.31Å; D432-K436 PolarHBondContact O-N 3.44Å; D432-K436 WeakPolarHBondContact OD2-CE 2.73Å; D432-K436 IonicContact OD2-NZ 2.72Å; D432-K436 PolarHBondContact OD2-NZ 2.78Å; K436-R440 VanDerWaalsContact O-CB 3.28Å; K436-R440 WeakPolarHBondContact O-CB 3.43Å; K436-R440 VanDerWaalsContact O-CG 3.32Å; K436-R440 WeakPolarHBondContact O-CG 3.25Å; K436-R440 PolarHBondContact O-N 2.7Å
437M65.2Low68Low135 Ų135117 Ų11767%0.66559%0.59SS**Hα-helixtrans-67.7-42172.9-79.8-171.3173.300111.9L433 V434 R440 A441L433-M437 WeakPolarHBondContact O-CB 3.35Å; L433-M437 WeakPolarHBondContact O-CG 3.32Å; L433-M437 PolarHBondContact O-N 2.65Å; V434-M437 PolarHBondContact O-N 3.48Å; M437-R440 PolarHBondContact O-N 3.25Å; M437-A441 WeakPolarHBondContact O-CB 3.26Å; M437-A441 PolarHBondContact O-N 3.2Å
438A69.4Low69.3Low61 Ų61114.4 Ų114.450%0.50458%0.575SS.*Hα-helixtrans-63.3-44175.400000112.5V434 E435 R440 A441 A442V434-A438 PolarHBondContact O-N 2.82Å; E435-A438 PolarHBondContact O-N 3.05Å; A438-R440 PolarHBondContact O-N 3.25Å; A438-A441 PolarHBondContact O-N 2.95Å; A438-A442 WeakPolarHBondContact O-CB 3.33Å; A438-A442 PolarHBondContact O-N 3.49Å
439K74.4Confident70.2Confident122 Ų122113.2 Ų113.253%0.5357%0.574SS.*Hα-helixtrans-66.5-35175.8-72.8172.8-175.5164.10112.4E435 R443E435-K439 WeakPolarHBondContact O-CB 3.27Å; E435-K439 WeakPolarHBondContact O-CG 3.41Å; E435-K439 PolarHBondContact O-N 2.69Å; E435-K439 WeakPolarHBondContact OE1-CE 3.22Å; E435-K439 IonicContact OE1-NZ 3.22Å; E435-K439 PolarHBondContact OE1-NZ 2.86Å; K439-R443 PolarHBondContact O-N 2.92Å; K439-R443 VanDerWaalsContact O-N 3.09Å
440R72.4Confident70.8Confident182 Ų182117 Ų11769%0.68758%0.576SS**Hα-helixtrans-69.7-42.7173.8-82.4179.1165.6170.4-2.9112.1K436 M437 A438 A442 R443 L444K436-R440 VanDerWaalsContact O-CB 3.28Å; K436-R440 WeakPolarHBondContact O-CB 3.43Å; K436-R440 VanDerWaalsContact O-CG 3.32Å; K436-R440 WeakPolarHBondContact O-CG 3.25Å; K436-R440 PolarHBondContact O-N 2.7Å; M437-R440 PolarHBondContact O-N 3.25Å; A438-R440 PolarHBondContact O-N 3.25Å; R440-A442 PolarHBondContact O-N 2.88Å; R440-R443 PolarHBondContact O-N 3.41Å; R440-L444 WeakPolarHBondContact O-CB 3.41Å; R440-L444 PolarHBondContact O-N 3.36Å
441A75.1Confident71.8Confident59 Ų59110.9 Ų110.949%0.48856%0.559SS.*Hα-helixtrans-62.5-41.4175.700000111.9M437 A438 R443 L444 S445M437-A441 WeakPolarHBondContact O-CB 3.26Å; M437-A441 PolarHBondContact O-N 3.2Å; A438-A441 PolarHBondContact O-N 2.95Å; A441-R443 PolarHBondContact O-N 2.94Å; A441-L444 PolarHBondContact O-N 3.15Å; A441-S445 PolarHBondContact O-N 2.79Å; A441-S445 PolarHBondContact O-OG 3.13Å
442A77.3Confident72.8Confident57 Ų57107.5 Ų107.547%0.47154%0.544SS..Hα-helixtrans-66.1-34.5174.600000113A438 R440 S445 L446A438-A442 WeakPolarHBondContact O-CB 3.33Å; A438-A442 PolarHBondContact O-N 3.49Å; R440-A442 PolarHBondContact O-N 2.88Å; A442-S445 PolarHBondContact O-OG 3.3Å; A442-S445 VanDerWaalsContact O-OG 3.06Å; A442-L446 WeakPolarHBondContact O-CB 3.3Å; A442-L446 PolarHBondContact O-N 3.4Å
443R77.9Confident73.9Confident194 Ų194112 Ų11273%0.73256%0.56SS**Hα-helixtrans-69.6-40.8172.9-84.5-178.5172.2167.1-1.1112.2K439 R440 A441 L446 Q447K439-R443 PolarHBondContact O-N 2.92Å; K439-R443 VanDerWaalsContact O-N 3.09Å; R440-R443 PolarHBondContact O-N 3.41Å; A441-R443 PolarHBondContact O-N 2.94Å; R443-L446 PolarHBondContact O-N 3.22Å; R443-Q447 WeakPolarHBondContact O-CG 3.48Å; R443-Q447 PolarHBondContact O-N 2.74Å
444L79.5Confident74.7Confident100 Ų100115 Ų11552%0.52457%0.569SS.*Hα-helixtrans-64.3-45.6176.8-96.7149.8000111.7R440 A441 L446 Q447 I448R440-L444 WeakPolarHBondContact O-CB 3.41Å; R440-L444 PolarHBondContact O-N 3.36Å; A441-L444 PolarHBondContact O-N 3.15Å; L444-L446 VanDerWaalsContact C-N 3.33Å; L444-L446 PolarHBondContact O-N 2.69Å; L444-Q447 PolarHBondContact O-N 3.4Å; L444-I448 VanDerWaalsContact O-CG1 3.31Å; L444-I448 WeakPolarHBondContact O-CG1 3.38Å; L444-I448 PolarHBondContact O-N 3.4Å
445S79.9Confident75.3Confident65 Ų65113.8 Ų113.846%0.45556%0.562SS.*Hα-helixtrans-63.2-38.817767.50000112.2A441 A442 I448 F449A441-S445 PolarHBondContact O-N 2.79Å; A441-S445 PolarHBondContact O-OG 3.13Å; A442-S445 PolarHBondContact O-OG 3.3Å; A442-S445 VanDerWaalsContact O-OG 3.06Å; S445-I448 PolarHBondContact O-N 3.27Å; S445-F449 PolarHBondContact O-N 3.07Å
446L80.7Confident75.5Confident98 Ų98114.9 Ų114.951%0.51357%0.57SS.*Hα-helixtrans-70.7-31.6177.2-153.976000112.9A442 R443 L444 R450A442-L446 WeakPolarHBondContact O-CB 3.3Å; A442-L446 PolarHBondContact O-N 3.4Å; R443-L446 PolarHBondContact O-N 3.22Å; L444-L446 VanDerWaalsContact C-N 3.33Å; L444-L446 PolarHBondContact O-N 2.69Å; L446-R450 WeakPolarHBondContact O-CB 3.4Å; L446-R450 WeakPolarHBondContact O-CG 3.26Å; L446-R450 PolarHBondContact O-N 2.96Å; L446-R450 VanDerWaalsContact O-N 3.09Å
447Q78.3Confident75.4Confident131 Ų131116.6 Ų116.661%0.61258%0.578SS**Hα-helixtrans-69-43.2172-82.7-176.2-15.800111.5R443 L444 R450 A451R443-Q447 WeakPolarHBondContact O-CG 3.48Å; R443-Q447 PolarHBondContact O-N 2.74Å; L444-Q447 PolarHBondContact O-N 3.4Å; Q447-R450 PolarHBondContact O-N 2.8Å; Q447-A451 WeakPolarHBondContact O-CB 3.35Å; Q447-A451 PolarHBondContact O-N 2.81Å
448I82.6Confident75.1Confident97 Ų97115.5 Ų115.550%0.49758%0.579SS.*Hα-helixtrans-62.3-45.9175.9-66.8165.4000110.4L444 S445 R450 A451 I452L444-I448 VanDerWaalsContact O-CG1 3.31Å; L444-I448 WeakPolarHBondContact O-CG1 3.38Å; L444-I448 PolarHBondContact O-N 3.4Å; S445-I448 PolarHBondContact O-N 3.27Å; I448-R450 VanDerWaalsContact C-N 3.32Å; I448-R450 PolarHBondContact O-N 3.09Å; I448-A451 PolarHBondContact O-N 3.19Å; I448-A451 VanDerWaalsContact O-N 3.16Å; I448-I452 HydrophobicContact CG2-CD1 3.76Å; I448-I452 HydrophobicContact CG2-CG1 4.38Å; I448-I452 WeakPolarHBondContact O-CG1 3.36Å; I448-I452 PolarHBondContact O-N 3.47Å
449F79.2Confident74.6Confident156 Ų156118.3 Ų118.368%0.68459%0.589SS**Hα-helixtrans-61.3-38.4176.1-117.3-88.8000112.6S445 K453S445-F449 PolarHBondContact O-N 3.07Å; F449-K453 VanDerWaalsContact O-CB 3.3Å; F449-K453 WeakPolarHBondContact O-CB 3.43Å; F449-K453 PolarHBondContact O-N 3.05Å
450R80.5Confident73.5Confident160 Ų160115 Ų11560%0.60459%0.59SS**Hα-helixtrans-67.2-38.1174.5-83-176.6165108.1-3.1112.5L446 Q447 I448 K454L446-R450 WeakPolarHBondContact O-CB 3.4Å; L446-R450 WeakPolarHBondContact O-CG 3.26Å; L446-R450 PolarHBondContact O-N 2.96Å; L446-R450 VanDerWaalsContact O-N 3.09Å; Q447-R450 PolarHBondContact O-N 2.8Å; I448-R450 VanDerWaalsContact C-N 3.32Å; I448-R450 PolarHBondContact O-N 3.09Å; R450-K454 WeakPolarHBondContact O-CG 3.5Å; R450-K454 PolarHBondContact O-N 2.85Å
451A76Confident72.4Confident54 Ų54110.5 Ų110.545%0.44658%0.583SS.*Hα-helixtrans-66.7-48176.400000111Q447 I448 K453 K454 V455Q447-A451 WeakPolarHBondContact O-CB 3.35Å; Q447-A451 PolarHBondContact O-N 2.81Å; I448-A451 PolarHBondContact O-N 3.19Å; I448-A451 VanDerWaalsContact O-N 3.16Å; A451-K453 VanDerWaalsContact C-N 3.32Å; A451-K453 PolarHBondContact O-N 3.42Å; A451-K454 PolarHBondContact O-N 3Å; A451-K454 VanDerWaalsContact O-N 3.16Å; A451-V455 WeakPolarHBondContact O-CG2 3.5Å; A451-V455 PolarHBondContact O-N 2.84Å
452I80.6Confident70.9Confident93 Ų93112.9 Ų112.948%0.47760%0.596SS.*Hα-helixtrans-59.9-43.3176.5-65.3168.7000110.5I448 K454 V455 L456I448-I452 HydrophobicContact CG2-CD1 3.76Å; I448-I452 HydrophobicContact CG2-CG1 4.38Å; I448-I452 WeakPolarHBondContact O-CG1 3.36Å; I448-I452 PolarHBondContact O-N 3.47Å; I452-K454 PolarHBondContact O-N 3.26Å; I452-V455 PolarHBondContact O-N 3.41Å; I452-L456 WeakPolarHBondContact O-CB 3.43Å; I452-L456 PolarHBondContact O-N 2.8Å
453K78.5Confident69.3Low164 Ų164117.1 Ų117.171%0.71361%0.609SS**Hα-helixtrans-65-35.7177.5-166.7172.5-176.3173.20112.8F449 A451 F457F449-K453 VanDerWaalsContact O-CB 3.3Å; F449-K453 WeakPolarHBondContact O-CB 3.43Å; F449-K453 PolarHBondContact O-N 3.05Å; A451-K453 VanDerWaalsContact C-N 3.32Å; A451-K453 PolarHBondContact O-N 3.42Å; K453-F457 VanDerWaalsContact O-CB 3.28Å; K453-F457 WeakPolarHBondContact O-CB 3.26Å; K453-F457 PolarHBondContact O-N 2.96Å
454K73.6Confident67.4Low155 Ų155114.2 Ų114.267%0.67462%0.615SS**Hα-helixtrans-68.1-42.5173.4-80.7-179177.9-179.10111.8R450 A451 I452 F457 V458R450-K454 WeakPolarHBondContact O-CG 3.5Å; R450-K454 PolarHBondContact O-N 2.85Å; A451-K454 PolarHBondContact O-N 3Å; A451-K454 VanDerWaalsContact O-N 3.16Å; I452-K454 PolarHBondContact O-N 3.26Å; K454-F457 PolarHBondContact O-N 3.36Å; K454-V458 VanDerWaalsContact O-CG2 3.32Å; K454-V458 WeakPolarHBondContact O-CG2 3.38Å; K454-V458 PolarHBondContact O-N 3.09Å
455V71Confident65.5Low91 Ų91114.9 Ų114.955%0.55263%0.629SS**Hα-helixtrans-64.2-44.1176.6174.70000110.6A451 I452 F457 V458 V459A451-V455 WeakPolarHBondContact O-CG2 3.5Å; A451-V455 PolarHBondContact O-N 2.84Å; I452-V455 PolarHBondContact O-N 3.41Å; V455-F457 VanDerWaalsContact C-N 3.31Å; V455-F457 PolarHBondContact O-N 2.99Å; V455-V458 PolarHBondContact O-N 3.38Å; V455-V459 HydrophobicContact CG1-CG2 4.42Å; V455-V459 WeakPolarHBondContact O-CB 3.22Å; V455-V459 WeakPolarHBondContact O-CG2 3.46Å; V455-V459 PolarHBondContact O-N 3.18Å
456L67.4Low63.4Low128 Ų128122.4 Ų122.467%0.6765%0.647SS**Hα-helixtrans-64.6-33.6175.5-127.179.6000112.6I452 G460I452-L456 WeakPolarHBondContact O-CB 3.43Å; I452-L456 PolarHBondContact O-N 2.8Å; L456-G460 WeakPolarHBondContact O-CA 3.42Å; L456-G460 PolarHBondContact O-N 3.32Å
457F63.5Low61.2Low146 Ų146124.7 Ų124.764%0.6466%0.66SS**Hα-helixtrans-72.1-35.7175.8-169.9-99.6000112.3K453 K454 V455 T461K453-F457 VanDerWaalsContact O-CB 3.28Å; K453-F457 WeakPolarHBondContact O-CB 3.26Å; K453-F457 PolarHBondContact O-N 2.96Å; K454-F457 PolarHBondContact O-N 3.36Å; V455-F457 VanDerWaalsContact C-N 3.31Å; V455-F457 PolarHBondContact O-N 2.99Å; F457-T461 HydrophobicContact CD1-CG2 4.31Å; F457-T461 HydrophobicContact CD2-CG2 4.27Å; F457-T461 HydrophobicContact CE1-CG2 4.09Å; F457-T461 HydrophobicContact CE2-CG2 4.05Å; F457-T461 HydrophobicContact CG-CG2 4.4Å; F457-T461 HydrophobicContact CZ-CG2 3.96Å; F457-T461 WeakPolarHBondContact O-CB 3.19Å; F457-T461 WeakPolarHBondContact O-CG2 3.43Å; F457-T461 PolarHBondContact O-N 3.39Å; F457-T461 PolarHBondContact O-OG1 2.81Å
458V60Low59.6Low112 Ų112125 Ų12568%0.67967%0.671SS**Hα-helixtrans-73.5-35176.1171.60000111.6K454 V455K454-V458 VanDerWaalsContact O-CG2 3.32Å; K454-V458 WeakPolarHBondContact O-CG2 3.38Å; K454-V458 PolarHBondContact O-N 3.09Å; V455-V458 PolarHBondContact O-N 3.38Å
459V58.7Low57.4Low120 Ų120130.7 Ų130.773%0.72769%0.692SS**Hα-helixtrans-82.1-24.8176.5179.40000112.1V455V455-V459 HydrophobicContact CG1-CG2 4.42Å; V455-V459 WeakPolarHBondContact O-CB 3.22Å; V455-V459 WeakPolarHBondContact O-CG2 3.46Å; V455-V459 PolarHBondContact O-N 3.18Å
460G51.2Low55.4Low53 Ų53131.3 Ų131.355%0.54670%0.702SS.*Hα-helixtrans-92.5-2-177.500000116.2L456 S462L456-G460 WeakPolarHBondContact O-CA 3.42Å; L456-G460 PolarHBondContact O-N 3.32Å; G460-S462 PolarHBondContact O-N 3.49Å
461T48.3Very low53.2Low87 Ų87130.8 Ų130.853%0.53471%0.706SS.*  trans-100.860.2-178.245.90000112.4F457F457-T461 HydrophobicContact CD1-CG2 4.31Å; F457-T461 HydrophobicContact CD2-CG2 4.27Å; F457-T461 HydrophobicContact CE1-CG2 4.09Å; F457-T461 HydrophobicContact CE2-CG2 4.05Å; F457-T461 HydrophobicContact CG-CG2 4.4Å; F457-T461 HydrophobicContact CZ-CG2 3.96Å; F457-T461 WeakPolarHBondContact O-CB 3.19Å; F457-T461 WeakPolarHBondContact O-CG2 3.43Å; F457-T461 PolarHBondContact O-N 3.39Å; F457-T461 PolarHBondContact O-OG1 2.81Å
462S43.2Very low51.4Low110 Ų110137.9 Ų137.977%0.76973%0.727SS**  trans-127.444160.5178.20000110.4G460G460-S462 PolarHBondContact O-N 3.49Å
463I44.2Very low49.2Very low145 Ų145142.6 Ų142.674%0.74474%0.738SS**  trans-145.7108.5168.5-53.8177.8000107.3S465I463-S465 PolarHBondContact O-N 3.32Å; I463-S465 VanDerWaalsContact O-N 3.17Å
464P38.9Very low47.2Very low133 Ų133140.9 Ų140.986%0.86475%0.746SS**  trans-83.896.3178.532.4-27.6000108.3
465S38.3Very low45.5Very low115 Ų115144.6 Ų144.680%0.80476%0.756SS**  trans-97.3128.7166.6-159.70000110.3I463I463-S465 PolarHBondContact O-N 3.32Å; I463-S465 VanDerWaalsContact O-N 3.17Å
466R36.5Very low43.8Very low222 Ų222143.9 Ų143.984%0.83877%0.767SS**  trans-68.7153.7-174.5-64.7170.4177177-2.5110.8
467N34Very low42.7Very low147 Ų147144.7 Ų144.779%0.78678%0.778SS**  trans76.2107.1164.8-54.7-24.7000116
468T44.9Very low41.5Very low138 Ų138141.3 Ų141.385%0.84778%0.784SS**  -174.3135.7124.734.40000110.9L470T468-L470 PolarHBondContact O-N 2.85Å
469K36.5Very low40.3Very low216 Ų216142.5 Ų142.594%0.93979%0.791SS**  trans-45.9125.2171-104.1164.5166.7173.80111.2
470L36.7Very low39.3Very low168 Ų168144.4 Ų144.488%0.8880%0.797SS**  trans-106103.4167.7-94.6158.3000110T468T468-L470 PolarHBondContact O-N 2.85Å
471E35.9Very low38.7Very low149 Ų149146.7 Ų146.770%0.69681%0.805SS**  trans-65.9122.6168.7-167.2-174.9144.300109.4R473E471-R473 IonicContact OE1-CZ 2.65Å; E471-R473 IonicContact OE1-NH2 3.6Å; E471-R473 PolarHBondContact OE1-NH2 2.75Å
472K37.8Very low38.2Very low203 Ų203150.3 Ų150.388%0.88382%0.821SS**  trans-80.6121.8177.1-66.7-179.9-179.8178.70109.3
473R33.3Very low37.9Very low192 Ų192151.8 Ų151.873%0.72582%0.82SS**  trans-132.297.6167.8-159.5176.1-67.3-175.62.4109.2E471E471-R473 IonicContact OE1-CZ 2.65Å; E471-R473 IonicContact OE1-NH2 3.6Å; E471-R473 PolarHBondContact OE1-NH2 2.75Å
474C36.7Very low37.5Very low129 Ų129153.6 Ų153.687%0.87283%0.827SS**PPolyproline II helixtrans-97118.9168.1-68.10000108.1
475R39.6Very low37.7Very low232 Ų232152.7 Ų152.788%0.87581%0.814SS**PPolyproline II helixtrans-83.2123.7167.7-70-174.8-174-168.80.7108.1
476G35Very low38.1Very low77 Ų77152.2 Ų152.279%0.79480%0.801SS**PPolyproline II helixtrans-83.2140172.400000112
477T43.3Very low38.2Very low145 Ų145150.6 Ų150.689%0.8980%0.795SS**  trans-139.1114.3155.354.50000102.3
478G38.3Very low38.6Very low75 Ų75150.9 Ų150.977%0.77379%0.786SS**  140.513071.300000104.3
479V35.9Very low38.3Very low137 Ų137151.9 Ų151.983%0.8379%0.786SS**  trans-46.2133.9-170.8-153.70000113.2
480D37.2Very low38.6Very low160 Ų160146.3 Ų146.386%0.85677%0.77SS**  trans-165.3139.7135-85.8-24.4000109.7
481S38.1Very low38.4Very low101 Ų101145 Ų14571%0.70677%0.769SS**  trans-57.1146.2-167.337.40000117.2
482N38.4Very low38.4Very low162 Ų162142.5 Ų142.587%0.86677%0.767SS**SBendtrans67.241.8154.4-60.6-8.8000119.8
483L36.4Very low38.4Very low142 Ų142140.4 Ų140.474%0.74377%0.765SS**  trans-161.5101.7154-161.861.1000111.3I485L483-I485 VanDerWaalsContact C-N 3.29Å; L483-I485 HydrophobicContact CB-CG1 4.48Å; L483-I485 HydrophobicContact CD2-CD1 3.87Å; L483-I485 HydrophobicContact CD2-CG1 3.77Å; L483-I485 HydrophobicContact CG-CD1 4.4Å; L483-I485 HydrophobicContact CG-CG1 3.77Å; L483-I485 PolarHBondContact O-N 3.03Å
484M36.4Very low38.6Very low182 Ų182139.9 Ų139.990%0.89777%0.768SS**  trans-75.384.5169.9-112-160.3-172.200109.5I486M484-I486 PolarHBondContact O-N 2.81Å; M484-I486 VanDerWaalsContact O-N 3.09Å
485I42.5Very low38.7Very low115 Ų115145.5 Ų145.559%0.5977%0.771SS**  trans-74.697.3167.6-56.1178.7000107.7L483 R487L483-I485 VanDerWaalsContact C-N 3.29Å; L483-I485 HydrophobicContact CB-CG1 4.48Å; L483-I485 HydrophobicContact CD2-CD1 3.87Å; L483-I485 HydrophobicContact CD2-CG1 3.77Å; L483-I485 HydrophobicContact CG-CD1 4.4Å; L483-I485 HydrophobicContact CG-CG1 3.77Å; L483-I485 PolarHBondContact O-N 3.03Å; I485-R487 PolarHBondContact O-N 3.09Å
486I46.9Very low38.8Very low105 Ų105138.6 Ų138.654%0.53876%0.763SS.*  trans-71.4104.2174-46.8174.2000108.7M484 Y488M484-I486 PolarHBondContact O-N 2.81Å; M484-I486 VanDerWaalsContact O-N 3.09Å; I486-Y488 HydrophobicContact CB-CD2 4.12Å; I486-Y488 HydrophobicContact CB-CE2 3.71Å; I486-Y488 HydrophobicContact CD1-CE2 4.27Å; I486-Y488 HydrophobicContact CG2-CD1 4.39Å; I486-Y488 HydrophobicContact CG2-CD2 3.59Å; I486-Y488 HydrophobicContact CG2-CE1 4.01Å; I486-Y488 HydrophobicContact CG2-CE2 3.12Å; I486-Y488 HydrophobicContact CG2-CG 4.21Å; I486-Y488 PolarHBondContact O-N 3.05Å
487R38.4Very low38.9Very low187 Ų187139.3 Ų139.371%0.70676%0.762SS**  trans-78.2100.2169.7-70.3-172.1179.5130.84.8109.2I485 D489I485-R487 PolarHBondContact O-N 3.09Å; R487-D489 PolarHBondContact O-N 3.2Å
488Y43.4Very low38.7Very low154 Ų154139.7 Ų139.760%0.60475%0.751SS**  trans-90.295.4167.2-70.4-76.5000109.8I486 T490I486-Y488 HydrophobicContact CB-CD2 4.12Å; I486-Y488 HydrophobicContact CB-CE2 3.71Å; I486-Y488 HydrophobicContact CD1-CE2 4.27Å; I486-Y488 HydrophobicContact CG2-CD1 4.39Å; I486-Y488 HydrophobicContact CG2-CD2 3.59Å; I486-Y488 HydrophobicContact CG2-CE1 4.01Å; I486-Y488 HydrophobicContact CG2-CE2 3.12Å; I486-Y488 HydrophobicContact CG2-CG 4.21Å; I486-Y488 PolarHBondContact O-N 3.05Å; Y488-T490 PolarHBondContact O-N 2.81Å
489D38.2Very low38.9Very low159 Ų159145.4 Ų145.485%0.8576%0.758SS**  trans-77.314.3166.2-77.9-26000112.5R487R487-D489 PolarHBondContact O-N 3.2Å
490T41.5Very low39.1Very low98 Ų98149.8 Ų149.860%0.60176%0.761SS**SBendtrans-137.2120.5177.951.10000110.3Y488 C492Y488-T490 PolarHBondContact O-N 2.81Å; T490-C492 PolarHBondContact O-N 2.97Å
491V33.8Very low39.2Very low140 Ų140145.8 Ų145.885%0.84876%0.758SS**  trans-59.298.7-179.3-177.40000110.4
492C36Very low39.7Very low97 Ų97147 Ų14766%0.65576%0.76SS**  trans-108105.8158.9-75.50000107.1T490 F494T490-C492 PolarHBondContact O-N 2.97Å; C492-F494 PolarHBondContact O-N 3.11Å
493L37Very low40.2Very low160 Ų160148.5 Ų148.584%0.83876%0.76SS**  trans-64.6103.6170-78.6161.7000108.5R495L493-R495 PolarHBondContact O-N 3.33Å
494F38.5Very low40.9Very low180 Ų180148.8 Ų148.879%0.78976%0.759SS**  trans-68.2113.9151.1-80.5-82.4000106.6C492 A496C492-F494 PolarHBondContact O-N 3.11Å; F494-A496 PolarHBondContact O-N 2.93Å
495R36.9Very low41.2Very low248 Ų248147.5 Ų147.594%0.93676%0.756SS**  trans-71.974.7171.9-170.8162.7160.799.6-5.9106.8L493 A497L493-R495 PolarHBondContact O-N 3.33Å; R495-A497 PolarHBondContact O-N 3.42Å
496A42.4Very low41.1Very low86 Ų86148.8 Ų148.871%0.71176%0.763SS**  trans-63.4116.6-178.200000109.5F494 F498F494-A496 PolarHBondContact O-N 2.93Å; A496-F498 PolarHBondContact O-N 3.11Å
497A36.3Very low40.6Very low93 Ų93147.6 Ų147.677%0.76978%0.777SS**  trans-7197.9165.900000108.4R495R495-A497 PolarHBondContact O-N 3.42Å
498F40Very low40.7Very low153 Ų153149.6 Ų149.667%0.67179%0.785SS**  trans-149.683.6162-116.5-88.6000108.4I238 A496I238-F498 HydrophobicContact CB-CE2 4.33Å; I238-F498 HydrophobicContact CD1-CE2 3.74Å; I238-F498 HydrophobicContact CD1-CZ 4.1Å; I238-F498 HydrophobicContact CG1-CE2 3.97Å; I238-F498 HydrophobicContact CG2-CD2 4.2Å; I238-F498 HydrophobicContact CG2-CE2 3.39Å; I238-F498 HydrophobicContact CG2-CZ 4.05Å; A496-F498 PolarHBondContact O-N 3.11Å
499Q43.6Very low40.8Very low194 Ų194151.8 Ų151.891%0.90780%0.797SS**  trans-131.261.4170.5-163.4159.920.800109
500Y40.2Very low40.8Very low229 Ų229149.4 Ų149.490%0.89879%0.789SS**SBendtrans-125.9113.1160.9-97.9-90.2000106.2
501G38.7Very low40.7Very low77 Ų77156 Ų15679%0.79480%0.802SS**SBendtrans139.4-14.4166.400000118.7K503G501-K503 PolarHBondContact O-N 3.12Å
502V47.2Very low41Very low125 Ų125157.6 Ų157.676%0.75880%0.798SS**  trans-9493.4176.6-171.60000110M504V502-M504 VanDerWaalsContact C-N 3.33Å; V502-M504 HydrophobicContact CG1-CG 4.02Å; V502-M504 HydrophobicContact CG1-SD 3.79Å; V502-M504 PolarHBondContact O-N 3.38Å
503K50.8Low41.2Very low195 Ų195158.8 Ų158.885%0.84880%0.797SS**  trans-71.787.4172.5-168.9167.7-178.31750109.1G501 N505G501-K503 PolarHBondContact O-N 3.12Å; K503-N505 PolarHBondContact O-N 2.87Å
504M49.3Very low41.5Very low147 Ų147155.2 Ų155.272%0.72478%0.784SS**  trans-74.6113.7171.3-62.8-69.1-113.100108.9V502 D506V502-M504 VanDerWaalsContact C-N 3.33Å; V502-M504 HydrophobicContact CG1-CG 4.02Å; V502-M504 HydrophobicContact CG1-SD 3.79Å; V502-M504 PolarHBondContact O-N 3.38Å; M504-D506 PolarHBondContact O-N 3.25Å
505N43.4Very low41.6Very low156 Ų156155.9 Ų155.983%0.83478%0.781SS**  trans-69.275.1156.8-92.95.8000107.7K503K503-N505 PolarHBondContact O-N 2.87Å
506D41.3Very low42.1Very low141 Ų141145.9 Ų145.975%0.75476%0.755SS**SBendtrans-157122.3165.1-117.5-24.3000110M504 R508M504-D506 PolarHBondContact O-N 3.25Å; D506-R508 PolarHBondContact O-N 3.24Å
507G36.3Very low42.5Very low80 Ų80149 Ų14983%0.82575%0.753SS**  trans-63.280176.400000111.3K509G507-K509 VanDerWaalsContact C-N 3.34Å; G507-K509 PolarHBondContact O-N 2.94Å; G507-K509 VanDerWaalsContact O-N 3.12Å
508R40Very low43.4Very low230 Ų230149.5 Ų149.587%0.86874%0.743SS**  trans-75.197.5152.9-87.6-176.6174.9-166.8-0.5106.9D506 T510D506-R508 PolarHBondContact O-N 3.24Å; R508-T510 PolarHBondContact O-N 3.43Å
509K46Very low44.5Very low200 Ų200148.4 Ų148.487%0.8774%0.739SS**  trans-38.1105.7140.5-73.5177.1178.7172.70105.3G507 R511G507-K509 VanDerWaalsContact C-N 3.34Å; G507-K509 PolarHBondContact O-N 2.94Å; G507-K509 VanDerWaalsContact O-N 3.12Å; K509-R511 PolarHBondContact O-N 2.99Å
510T38.7Very low45.8Very low109 Ų109146.8 Ų146.867%0.66973%0.729SS**  trans-48.9125.8157.653.50000103R508 K512R508-T510 PolarHBondContact O-N 3.43Å; T510-K512 PolarHBondContact O-N 3.4Å
511R38.8Very low47.5Very low235 Ų235140.2 Ų140.289%0.88771%0.71SS**  trans-52.799.5146.3-89-176.7-52.1177.45.9102.5K509 L513K509-R511 PolarHBondContact O-N 2.99Å; R511-L513 PolarHBondContact O-N 3.47Å
512K38.7Very low49.4Very low175 Ų175142.4 Ų142.476%0.76170%0.699SS**  trans-50.890142.4-70.2-173.5178.5-175.90103.1T510T510-K512 PolarHBondContact O-N 3.4Å
513L40.5Very low51.2Low122 Ų122144 Ų14464%0.63970%0.696SS**  -33.2130.6127.9-80.5154.7000104.8R511 R515R511-L513 PolarHBondContact O-N 3.47Å; L513-R515 HydrophobicContact CB-CG 4.43Å; L513-R515 PolarHBondContact O-N 3.11Å
514P43.3Very low52.8Low85 Ų85136.8 Ų136.855%0.55267%0.673SS**SBendtrans-66.564.8-167.228.9-35.2000112G516 K517P514-G516 PolarHBondContact O-N 2.77Å; P514-K517 PolarHBondContact O-N 3.39Å
515R41.4Very low54.7Low194 Ų194136.2 Ų136.273%0.73267%0.666SS**THydrogen-bonded Turntrans-81.459.9174.8-72.6-157.4-179-164.62.6107.5L513L513-R515 HydrophobicContact CB-CG 4.43Å; L513-R515 PolarHBondContact O-N 3.11Å
516G47.1Very low56.9Low38 Ų38134.2 Ų134.239%0.39266%0.655SS.*THydrogen-bonded Turntrans-172.8-15.4-176.100000112.5P514P514-G516 PolarHBondContact O-N 2.77Å
517K50.2Low59.3Low151 Ų151132.2 Ų132.266%0.65765%0.645SS**THydrogen-bonded Turntrans-88.2-48.4162.1-71.9-173.2176.2-175.60110.4P514 E519 K520 D521P514-K517 PolarHBondContact O-N 3.39Å; K517-E519 PolarHBondContact O-N 2.75Å; K517-K520 PolarHBondContact O-N 2.8Å; K517-D521 WeakPolarHBondContact O-CB 3.35Å; K517-D521 PolarHBondContact O-N 2.8Å; K517-D521 VanDerWaalsContact O-OD2 3.13Å
518N55.5Low62.1Low104 Ų104137.2 Ų137.256%0.55664%0.639SS**Hα-helixtrans-65.2-39.5-177.8-62.97000114D521 E522N518-D521 PolarHBondContact O-N 3.38Å; N518-E522 VanDerWaalsContact O-CB 3.31Å; N518-E522 WeakPolarHBondContact O-CB 3.45Å; N518-E522 WeakPolarHBondContact O-CG 3.41Å; N518-E522 PolarHBondContact O-N 3.3Å
519E63.3Low64.6Low130 Ų130132 Ų13261%0.60762%0.624SS**Hα-helixtrans-69.5-34.1178-77.6176.4179.600112.8K517 K523K517-E519 PolarHBondContact O-N 2.75Å; E519-K523 VanDerWaalsContact O-CB 3.26Å; E519-K523 WeakPolarHBondContact O-CB 3.31Å; E519-K523 PolarHBondContact O-N 3.2Å
520K70.8Confident66.9Low160 Ų160130.7 Ų130.770%0.69661%0.614SS**Hα-helixtrans-71.8-38.6173.8-77.5-174.9177.3-1770111.3K517 A524K517-K520 PolarHBondContact O-N 2.8Å; K520-A524 VanDerWaalsContact O-CB 3.3Å; K520-A524 WeakPolarHBondContact O-CB 3.36Å; K520-A524 PolarHBondContact O-N 2.99Å
521D76Confident69.5Low91 Ų91130.9 Ų130.949%0.48761%0.607SS.*Hα-helixtrans-69.5-37.8176.2-67.6-29.4000111.8K517 N518 A524 K525K517-D521 WeakPolarHBondContact O-CB 3.35Å; K517-D521 PolarHBondContact O-N 2.8Å; K517-D521 VanDerWaalsContact O-OD2 3.13Å; N518-D521 PolarHBondContact O-N 3.38Å; D521-A524 PolarHBondContact O-N 2.86Å; D521-K525 WeakPolarHBondContact O-CB 3.33Å; D521-K525 VanDerWaalsContact O-CG 3.27Å; D521-K525 WeakPolarHBondContact O-CG 3.45Å; D521-K525 PolarHBondContact O-N 3.29Å
522E78.5Confident72.1Confident123 Ų123126.7 Ų126.758%0.57560%0.595SS**Hα-helixtrans-68.7-43.7173.9-77.9-172.4-17500111.8N518 A524 K525 L526N518-E522 VanDerWaalsContact O-CB 3.31Å; N518-E522 WeakPolarHBondContact O-CB 3.45Å; N518-E522 WeakPolarHBondContact O-CG 3.41Å; N518-E522 PolarHBondContact O-N 3.3Å; E522-A524 VanDerWaalsContact C-N 3.31Å; E522-A524 PolarHBondContact O-N 3.16Å; E522-K525 PolarHBondContact O-N 3.48Å; E522-L526 WeakPolarHBondContact O-CB 3.33Å; E522-L526 WeakPolarHBondContact O-CG 3.41Å; E522-L526 PolarHBondContact O-N 2.89Å
523K85.8Confident74.6Confident157 Ų157122.4 Ų122.468%0.68358%0.58SS**Hα-helixtrans-60.8-41.3173.6-169.8173.8-179.11790111.6E519 L526 D527E519-K523 VanDerWaalsContact O-CB 3.26Å; E519-K523 WeakPolarHBondContact O-CB 3.31Å; E519-K523 PolarHBondContact O-N 3.2Å; K523-L526 PolarHBondContact O-N 3.26Å; K523-D527 PolarHBondContact O-N 2.85Å
524A84.9Confident77Confident44 Ų44119.3 Ų119.336%0.36457%0.568SS.*Hα-helixtrans-68.3-34.8175.400000113K520 D521 E522 R528K520-A524 VanDerWaalsContact O-CB 3.3Å; K520-A524 WeakPolarHBondContact O-CB 3.36Å; K520-A524 PolarHBondContact O-N 2.99Å; D521-A524 PolarHBondContact O-N 2.86Å; E522-A524 VanDerWaalsContact C-N 3.31Å; E522-A524 PolarHBondContact O-N 3.16Å; A524-R528 WeakPolarHBondContact O-CG 3.28Å; A524-R528 PolarHBondContact O-N 2.8Å; A524-R528 VanDerWaalsContact O-N 3.13Å
525K88.5Confident79.3Confident135 Ų135121 Ų12159%0.58757%0.569SS**Hα-helixtrans-65.6-43.7172.3-79.3174.5-176.7178.50111.6D521 E522 R528 Q529D521-K525 WeakPolarHBondContact O-CB 3.33Å; D521-K525 VanDerWaalsContact O-CG 3.27Å; D521-K525 WeakPolarHBondContact O-CG 3.45Å; D521-K525 PolarHBondContact O-N 3.29Å; E522-K525 PolarHBondContact O-N 3.48Å; K525-R528 PolarHBondContact O-N 2.81Å; K525-Q529 WeakPolarHBondContact O-CG 3.47Å; K525-Q529 PolarHBondContact O-N 2.88Å
526L89.5Confident81.5Confident114 Ų114115.5 Ų115.560%0.59755%0.553SS**Hα-helixtrans-61.9-42.7176.5-73.4171.1000111.3E522 K523 R528 Q529 W530E522-L526 WeakPolarHBondContact O-CB 3.33Å; E522-L526 WeakPolarHBondContact O-CG 3.41Å; E522-L526 PolarHBondContact O-N 2.89Å; K523-L526 PolarHBondContact O-N 3.26Å; L526-R528 PolarHBondContact O-N 3.12Å; L526-Q529 PolarHBondContact O-N 3.26Å; L526-W530 WeakPolarHBondContact O-CB 3.17Å; L526-W530 PolarHBondContact O-N 2.96Å
527D92.2Very high83.4Confident100 Ų100118.9 Ų118.954%0.53556%0.562SS.*Hα-helixtrans-63.9-40.7177.8-128.218.1000112.2K523 W530 Q531K523-D527 PolarHBondContact O-N 2.85Å; D527-W530 PolarHBondContact O-N 2.7Å; D527-Q531 WeakPolarHBondContact O-CG 3.27Å; D527-Q531 PolarHBondContact O-N 3.16Å
528R93.8Very high85.2Confident185 Ų185114.6 Ų114.670%0.69855%0.55SS**Hα-helixtrans-64.5-41.7173.7-73.1175.8-175.3-177.22.6112.3A524 K525 L526 K532A524-R528 WeakPolarHBondContact O-CG 3.28Å; A524-R528 PolarHBondContact O-N 2.8Å; A524-R528 VanDerWaalsContact O-N 3.13Å; K525-R528 PolarHBondContact O-N 2.81Å; L526-R528 PolarHBondContact O-N 3.12Å; R528-K532 WeakPolarHBondContact O-CB 3.14Å; R528-K532 PolarHBondContact O-N 2.91Å; R528-K532 VanDerWaalsContact O-N 3.09Å
529Q93.7Very high86.7Confident121 Ų121116.2 Ų116.257%0.56555%0.553SS**Hα-helixtrans-65.2-41.1176.3-76.5-177.4-23.600111.1K525 L526 K532 I533K525-Q529 WeakPolarHBondContact O-CG 3.47Å; K525-Q529 PolarHBondContact O-N 2.88Å; L526-Q529 PolarHBondContact O-N 3.26Å; Q529-K532 PolarHBondContact O-N 3.27Å; Q529-I533 WeakPolarHBondContact O-CG1 3.2Å; Q529-I533 PolarHBondContact O-N 3.36Å
530W92.7Very high87.6Confident172 Ų172118.5 Ų118.565%0.65256%0.556SS**Hα-helixtrans-61.3-46.6176.1-176-110.2000112.4L526 D527 K532 I533 S534L526-W530 WeakPolarHBondContact O-CB 3.17Å; L526-W530 PolarHBondContact O-N 2.96Å; D527-W530 PolarHBondContact O-N 2.7Å; W530-K532 VanDerWaalsContact C-N 3.3Å; W530-K532 PolarHBondContact O-N 2.89Å; W530-I533 PolarHBondContact O-N 3.47Å; W530-S534 WeakPolarHBondContact O-CB 3.47Å; W530-S534 PolarHBondContact O-N 3.14Å
531Q94.6Very high88.1Confident113 Ų113119.8 Ų119.853%0.52856%0.561SS.*Hα-helixtrans-59.7-40.4174.6-73.8177.8-5.900112.2D527 S534 Q535D527-Q531 WeakPolarHBondContact O-CG 3.27Å; D527-Q531 PolarHBondContact O-N 3.16Å; Q531-S534 PolarHBondContact O-N 2.9Å; Q531-Q535 WeakPolarHBondContact O-CG 3.43Å; Q531-Q535 PolarHBondContact O-N 3.45Å
532K93.8Very high88Confident146 Ų146123.2 Ų123.264%0.63558%0.575SS**Hα-helixtrans-65.5-41.4177.4-165.1170.5-176.3177.50112R528 Q529 W530 Q535 I536R528-K532 WeakPolarHBondContact O-CB 3.14Å; R528-K532 PolarHBondContact O-N 2.91Å; R528-K532 VanDerWaalsContact O-N 3.09Å; Q529-K532 PolarHBondContact O-N 3.27Å; W530-K532 VanDerWaalsContact C-N 3.3Å; W530-K532 PolarHBondContact O-N 2.89Å; K532-Q535 PolarHBondContact O-N 2.92Å; K532-I536 VanDerWaalsContact O-CG1 3.31Å; K532-I536 WeakPolarHBondContact O-CG1 3.4Å; K532-I536 PolarHBondContact O-N 3.45Å; K532-I536 VanDerWaalsContact O-N 3.11Å
533I90.1Very high87.4Confident85 Ų85120.9 Ų120.944%0.43657%0.571SS.*Hα-helixtrans-65.3-43.6175.4-67.6165.5000110.6Q529 W530 Q535 I536 L537Q529-I533 WeakPolarHBondContact O-CG1 3.2Å; Q529-I533 PolarHBondContact O-N 3.36Å; W530-I533 PolarHBondContact O-N 3.47Å; I533-Q535 VanDerWaalsContact C-N 3.35Å; I533-Q535 PolarHBondContact O-N 3.16Å; I533-I536 PolarHBondContact O-N 2.95Å; I533-I536 VanDerWaalsContact O-N 3.14Å; I533-L537 HydrophobicContact CG2-CD1 3.99Å; I533-L537 HydrophobicContact CG2-CG 4.41Å; I533-L537 WeakPolarHBondContact O-CG 3.48Å; I533-L537 PolarHBondContact O-N 2.95Å
534S91.1Very high85.9Confident57 Ų57116.5 Ų116.540%0.39957%0.571SS.*Hα-helixtrans-60-42.5176.8179.60000112.1W530 Q531 I536 L537 S538W530-S534 WeakPolarHBondContact O-CB 3.47Å; W530-S534 PolarHBondContact O-N 3.14Å; Q531-S534 PolarHBondContact O-N 2.9Å; S534-I536 PolarHBondContact O-N 3.43Å; S534-L537 PolarHBondContact O-N 3.21Å; S534-S538 PolarHBondContact O-N 3.45Å; S534-S538 PolarHBondContact O-OG 3.06Å
535Q91.2Very high84.4Confident120 Ų120123.8 Ų123.856%0.56160%0.595SS**Hα-helixtrans-63.7-38.2174-73.3179.27.300112.9Q531 K532 I533 K539Q531-Q535 WeakPolarHBondContact O-CG 3.43Å; Q531-Q535 PolarHBondContact O-N 3.45Å; K532-Q535 PolarHBondContact O-N 2.92Å; I533-Q535 VanDerWaalsContact C-N 3.35Å; I533-Q535 PolarHBondContact O-N 3.16Å; Q535-K539 WeakPolarHBondContact O-CB 3.47Å; Q535-K539 VanDerWaalsContact O-CG 3.3Å; Q535-K539 WeakPolarHBondContact O-CG 3.34Å; Q535-K539 PolarHBondContact O-N 3.07Å
536I88.9Confident82.4Confident80 Ų80125.2 Ų125.241%0.4163%0.632SS.*Hα-helixtrans-66-40.8175.7-68165.2000110.4K532 I533 S534 K539 R540K532-I536 VanDerWaalsContact O-CG1 3.31Å; K532-I536 WeakPolarHBondContact O-CG1 3.4Å; K532-I536 PolarHBondContact O-N 3.45Å; K532-I536 VanDerWaalsContact O-N 3.11Å; I533-I536 PolarHBondContact O-N 2.95Å; I533-I536 VanDerWaalsContact O-N 3.14Å; S534-I536 PolarHBondContact O-N 3.43Å; I536-K539 PolarHBondContact O-N 3.38Å; I536-R540 WeakPolarHBondContact O-CB 3.3Å; I536-R540 WeakPolarHBondContact O-CG 3.3Å; I536-R540 PolarHBondContact O-N 3.4Å
537L86.3Confident82.1Confident109 Ų109125.8 Ų125.857%0.57163%0.634SS**Hα-helixtrans-64.2-44.3176.3-73.4168.6000111.7I533 S534 R540 K541I533-L537 HydrophobicContact CG2-CD1 3.99Å; I533-L537 HydrophobicContact CG2-CG 4.41Å; I533-L537 WeakPolarHBondContact O-CG 3.48Å; I533-L537 PolarHBondContact O-N 2.95Å; S534-L537 PolarHBondContact O-N 3.21Å; L537-R540 PolarHBondContact O-N 3.36Å; L537-K541 WeakPolarHBondContact O-CB 3.5Å; L537-K541 PolarHBondContact O-N 2.9Å
538S87.3Confident81.5Confident60 Ų60127.2 Ų127.242%0.4264%0.639SS.*Hα-helixtrans-62.3-44.5175-59.80000111.8S534 R540 K541 E542S534-S538 PolarHBondContact O-N 3.45Å; S534-S538 PolarHBondContact O-OG 3.06Å; S538-R540 PolarHBondContact O-N 3.38Å; S538-K541 PolarHBondContact O-N 3.43Å; S538-E542 WeakPolarHBondContact O-CG 3.44Å; S538-E542 PolarHBondContact O-N 3.32Å
539K87Confident80.9Confident139 Ų139123.9 Ų123.960%0.60464%0.636SS**Hα-helixtrans-62.3-40.1176.1-76.4179.4178.5-175.50112.8Q535 I536 E542 S543Q535-K539 WeakPolarHBondContact O-CB 3.47Å; Q535-K539 VanDerWaalsContact O-CG 3.3Å; Q535-K539 WeakPolarHBondContact O-CG 3.34Å; Q535-K539 PolarHBondContact O-N 3.07Å; I536-K539 PolarHBondContact O-N 3.38Å; K539-E542 PolarHBondContact O-N 3.42Å; K539-S543 VanDerWaalsContact O-CB 3.3Å; K539-S543 WeakPolarHBondContact O-CB 3.42Å; K539-S543 PolarHBondContact O-N 2.92Å; K539-S543 PolarHBondContact O-OG 3.42Å
540R83.6Confident80.1Confident177 Ų177124.1 Ų124.167%0.66864%0.64SS**Hα-helixtrans-68.8-34.3175.6-77.4-173.9-172.9-173.21.9112.6I536 L537 S538 S543 G544I536-R540 WeakPolarHBondContact O-CB 3.3Å; I536-R540 WeakPolarHBondContact O-CG 3.3Å; I536-R540 PolarHBondContact O-N 3.4Å; L537-R540 PolarHBondContact O-N 3.36Å; S538-R540 PolarHBondContact O-N 3.38Å; R540-S543 WeakPolarHBondContact CA-OG 3.42Å; R540-S543 PolarHBondContact O-N 3.04Å; R540-S543 PolarHBondContact O-OG 3.42Å; R540-G544 PolarHBondContact O-N 3.04Å
541K80.8Confident79.3Confident187 Ų187121.1 Ų121.181%0.81364%0.64SS**Hα-helixtrans-69.7-34.5176.2-165175.3-179.1-178.80111.8L537 S538L537-K541 WeakPolarHBondContact O-CB 3.5Å; L537-K541 PolarHBondContact O-N 2.9Å; S538-K541 PolarHBondContact O-N 3.43Å
542E74.5Confident78.3Confident164 Ų164121.7 Ų121.777%0.76665%0.647SS**Hα-helixtrans-74.6-32.8172-72.8170.1-173.100112.5S538 K539 G544S538-E542 WeakPolarHBondContact O-CG 3.44Å; S538-E542 PolarHBondContact O-N 3.32Å; K539-E542 PolarHBondContact O-N 3.42Å; E542-G544 VanDerWaalsContact C-N 3.3Å; E542-G544 PolarHBondContact O-N 3.08Å
543S66.1Low77.2Confident73 Ų73119.9 Ų119.951%0.5165%0.648SS.*THydrogen-bonded Turntrans-86.111.8-178.174.80000115.2K539 R540 F545K539-S543 VanDerWaalsContact O-CB 3.3Å; K539-S543 WeakPolarHBondContact O-CB 3.42Å; K539-S543 PolarHBondContact O-N 2.92Å; K539-S543 PolarHBondContact O-OG 3.42Å; R540-S543 WeakPolarHBondContact CA-OG 3.42Å; R540-S543 PolarHBondContact O-N 3.04Å; R540-S543 PolarHBondContact O-OG 3.42Å; S543-F545 VanDerWaalsContact C-N 3.31Å; S543-F545 PolarHBondContact O-N 3.09Å
544G54.2Low76.2Confident66 Ų66122.6 Ų122.668%0.6866%0.664SS**THydrogen-bonded Turntrans54.832.8161.300000117.2R540 E542R540-G544 PolarHBondContact O-N 3.04Å; E542-G544 VanDerWaalsContact C-N 3.3Å; E542-G544 PolarHBondContact O-N 3.08Å
545F52.4Low74.9Confident196 Ų196128.1 Ų128.186%0.8669%0.686SS**  trans-98.990.6171-106.4-92.2000109.2S543S543-F545 VanDerWaalsContact C-N 3.31Å; S543-F545 PolarHBondContact O-N 3.09Å
546A47.1Very low73.5Confident166 Ų166128.8 Ų128.8100%1.37270%0.698SS**  trans-84.7015600000109.3

Retrieved 546 of 546 residues in 314 ms (Link to these results)