A0A077Z9X9_TRITR Loading...

Zinc finger protein

AlphaFold DB , UniProt , Accession A0A077Z9X9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M43.7Very low42.5Very low237 Ų237154.9 Ų154.9100%1.16785%0.851SS**  0144.90-86.5170.6166.600107
2E45.3Very low41.8Very low194 Ų194151.3 Ų151.391%0.90785%0.845SS**  trans74.896.7-163.4-58.5-175.112700112.2
3M36.9Very low41.7Very low180 Ų180151.6 Ų151.689%0.88784%0.843SS**  56.395.352.2-64.5-158.4-152.600114.8
4S53.1Low41.2Very low127 Ų127156.1 Ų156.189%0.88884%0.84SS**  trans-155.7116.6135.5-108.30000112.6
5H42.5Very low41.4Very low169 Ų169156.4 Ų156.478%0.78284%0.841SS**  trans-56.2146164.7-77.5-109.3000111.3
6H49.2Very low41Very low146 Ų146155.3 Ų155.368%0.67683%0.834SS**  -173.7118.9117.8-110.7-136.1000113.5
7R47Very low41.1Very low208 Ų208152.3 Ų152.379%0.78584%0.836SS**  trans74.2103.1135.2-63.2-173.8-169.1-149.95120.2
8S37.1Very low41.1Very low115 Ų115149.4 Ų149.480%0.80482%0.824SS**  trans-37.7139.4141.359.80000114.4
9C41.4Very low40.8Very low130 Ų130152.9 Ų152.988%0.87883%0.825SS**  trans-142.2112.2138.8-133.20000107.5
10G33.7Very low41.1Very low71 Ų71153.9 Ų153.973%0.73282%0.824SS**  trans-79.2138.9173.600000110.3
11C38.2Very low41Very low127 Ų127155.8 Ų155.886%0.85883%0.825SS**  trans-12797.1157.7-82.40000107.8
12S34.1Very low41Very low111 Ų111150.4 Ų150.478%0.77680%0.801SS**  trans-69.6116161.6-139.50000107.5
13L40.2Very low41Very low156 Ų156144.7 Ų144.782%0.81779%0.787SS**  trans-125.589.2160.4-79.2173000108.2
14R35Very low41.5Very low214 Ų214141.5 Ų141.581%0.80878%0.778SS**  trans-65.6126.6153.6-78.5178.3170.2151.1-4.1107.6
15L43.8Very low41.1Very low161 Ų161142.3 Ų142.384%0.84377%0.771SS**  trans-128.794.1157-88.3164.5000107.4A17L15-A17 PolarHBondContact O-N 2.88Å
16D34.9Very low41.2Very low138 Ų138144 Ų14474%0.73877%0.771SS**  trans-60.6108.6161.9-78.3-60000108.7
17A43.4Very low41.2Very low105 Ų105140.9 Ų140.987%0.86877%0.77SS**  trans-114.75816500000108.8L15L15-A17 PolarHBondContact O-N 2.88Å
18T40Very low41.1Very low100 Ų100139.4 Ų139.461%0.61377%0.772SS**  trans-106.7150.5159.1-22.30000105.4
19Y36Very low41.3Very low216 Ų216138.9 Ų138.985%0.84777%0.768SS**  trans84.990.9179.6-54.5-83.8000116.5
20H45.7Very low41.5Very low173 Ų173141 Ų14180%0.80177%0.765SS**  -1702.7128.2-112.2-65000116.8D22H20-D22 PolarHBondContact O-N 2.76Å
21F39.5Very low42.3Very low194 Ų194144.5 Ų144.585%0.85177%0.765SS**THydrogen-bonded Turntrans-87.411.9-172.8-118.7-84.8000117
22D44.4Very low43.4Very low123 Ų123142.8 Ų142.866%0.65875%0.753SS**THydrogen-bonded Turntrans-116.73.7-170.4-134.6-6.1000114.7H20H20-D22 PolarHBondContact O-N 2.76Å
23A45.1Very low44.4Very low74 Ų74147.2 Ų147.261%0.61276%0.758SS**SBendtrans-100.3-19.3-175.500000114.6
24T46.9Very low45Very low113 Ų113147.2 Ų147.269%0.69375%0.751SS**SBendtrans-92.1-6.3-177.120.20000114.4
25L44.7Very low46.2Very low144 Ų144144.1 Ų144.175%0.75475%0.746SS**SBendtrans-97-1.8178.9-84.1163.2000114.7
26R45.2Very low47.1Very low205 Ų205145.5 Ų145.577%0.77475%0.745SS**SBendtrans-94.5-2.2178.7-77.6-172.1-162.2-174.55.5115.6
27A49.2Very low48.2Very low80 Ų80145.3 Ų145.366%0.66174%0.744SS**SBendtrans-95.52.2-172.100000115.6
28H44Very low49Very low178 Ų178146.4 Ų146.482%0.82473%0.731SS**  trans-115.934.5-179.6-73.1-71.2000114.1H30H28-H30 PolarHBondContact O-N 3.09Å
29S41.1Very low49.7Very low103 Ų103147.6 Ų147.672%0.7273%0.728SS**  trans-78.530.6177.8550000114.7I31S29-I31 VanDerWaalsContact C-N 3.35Å; S29-I31 PolarHBondContact O-N 2.97Å
30H46Very low50.7Low175 Ų175145.4 Ų145.481%0.8172%0.723SS**  trans-90.672.8172.4-146.7-42.3000110.2H28 P32H28-H30 PolarHBondContact O-N 3.09Å; H30-P32 VanDerWaalsContact O-CD 3.3Å; H30-P32 WeakPolarHBondContact O-CD 3.43Å
31I51.8Low51.4Low144 Ų144144.5 Ų144.574%0.73872%0.719SS**  trans-79.5114.8170.8-60.8171000107.5S29 K33S29-I31 VanDerWaalsContact C-N 3.35Å; S29-I31 PolarHBondContact O-N 2.97Å; I31-K33 PolarHBondContact O-N 3.35Å
32P59.7Low52.2Low92 Ų92145 Ų14560%0.59772%0.717SS**  trans-64123.8171.624.3-29.1000108.8H30 F34H30-P32 VanDerWaalsContact O-CD 3.3Å; H30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-F34 PolarHBondContact O-N 3.42Å
33K55Low52.6Low204 Ų204145.7 Ų145.789%0.88772%0.72SS**  trans-61.299.1172.7-75.8176.9177.8172.90108.5I31 Q35I31-K33 PolarHBondContact O-N 3.35Å; K33-Q35 PolarHBondContact O-N 3.5Å
34F54.2Low53.2Low156 Ų156145.3 Ų145.368%0.68471%0.713SS**  trans-64.3118.4167.8-109.9-94.4000108.6P32 K36P32-F34 PolarHBondContact O-N 3.42Å; F34-K36 PolarHBondContact O-N 3.25Å
35Q59.8Low53.1Low148 Ų148143.4 Ų143.469%0.69272%0.715SS**  trans-66.1123.6171.4-67.2-162.128.800108.3K33 D37 E38K33-Q35 PolarHBondContact O-N 3.5Å; Q35-D37 PolarHBondContact O-N 3.37Å; Q35-E38 PolarHBondContact O-N 2.82Å
36K62.1Low53.3Low191 Ų191144 Ų14483%0.8372%0.719SS**THydrogen-bonded Turntrans-64.6-9.5-175.5-90.6179.4174.1176.70114.2F34F34-K36 PolarHBondContact O-N 3.25Å
37D59.1Low53.4Low133 Ų133139 Ų13971%0.71172%0.721SS**THydrogen-bonded Turntrans-89-19-175-61.4-40000113.4Q35Q35-D37 PolarHBondContact O-N 3.37Å
38E58.6Low53.6Low128 Ų128139.5 Ų139.560%0.59873%0.726SS**THydrogen-bonded Turntrans-82.2-18-179.6-152.2170.6-171.200112.8Q35Q35-E38 PolarHBondContact O-N 2.82Å
39F55.5Low53.9Low126 Ų126139.1 Ų139.155%0.55372%0.724SS**Hα-helixtrans-79.9-16-180-133.4-91.6000113.6L43F39-L43 HydrophobicContact CD1-CD1 4.15Å; F39-L43 HydrophobicContact CD1-CG 4.49Å
40K56.6Low54.6Low169 Ų169142.8 Ų142.874%0.73573%0.73SS**Hα-helixtrans-75.9-27.4176.9-100.8-176.2175.8179.20112.7S44K40-S44 WeakPolarHBondContact O-CB 3.37Å; K40-S44 PolarHBondContact O-N 3.25Å; K40-S44 PolarHBondContact O-OG 3.47Å
41E60.9Low54.9Low154 Ų154144.9 Ų144.972%0.7273%0.731SS**Hα-helixtrans-75.6-34.6177.9-161.7169.6173.800111.8L43 S44E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.24Å; E41-S44 WeakPolarHBondContact CA-OG 2.91Å; E41-S44 PolarHBondContact O-N 3.35Å; E41-S44 PolarHBondContact O-OG 2.81Å
42Y55.6Low55.5Low205 Ų205147 Ų14780%0.80474%0.735SS**Hα-helixtrans-70.1-21.6176.4-96.1-87.4000114.7
43L53.8Low55.7Low138 Ų138148.8 Ų148.872%0.72375%0.747SS**Hα-helixtrans-98.3-11.1178-67.6174.7000113.5F39 E41F39-L43 HydrophobicContact CD1-CD1 4.15Å; F39-L43 HydrophobicContact CD1-CG 4.49Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.24Å
44S57.4Low55.9Low66 Ų66149.8 Ų149.846%0.46275%0.745SS.*SBendtrans-93.213.9-175.243.90000114.8K40 E41 N46K40-S44 WeakPolarHBondContact O-CB 3.37Å; K40-S44 PolarHBondContact O-N 3.25Å; K40-S44 PolarHBondContact O-OG 3.47Å; E41-S44 WeakPolarHBondContact CA-OG 2.91Å; E41-S44 PolarHBondContact O-N 3.35Å; E41-S44 PolarHBondContact O-OG 2.81Å; S44-N46 PolarHBondContact O-N 3Å
45G44.8Very low56.7Low72 Ų72152.9 Ų152.974%0.74275%0.752SS**  trans638.1153.700000117.9
46N49.9Very low56.7Low157 Ų157154.5 Ų154.584%0.8476%0.759SS**  trans-105.310.1-171.3-80-12.7000114.8S44 A48S44-N46 PolarHBondContact O-N 3Å; N46-A48 PolarHBondContact O-N 3.23Å
47A46.4Very low56.3Low99 Ų99148.9 Ų148.982%0.81874%0.744SS**SBendtrans-79109.7174.100000110.1E49A47-E49 PolarHBondContact O-N 3.4Å
48A54Low55.7Low91 Ų91147.9 Ų147.975%0.75276%0.755SS**  trans-35.7125.7-179.300000113.4N46 Q50N46-A48 PolarHBondContact O-N 3.23Å; A48-Q50 VanDerWaalsContact C-N 3.3Å; A48-Q50 PolarHBondContact O-N 3.19Å
49E50.3Low55.7Low170 Ų170146.8 Ų146.879%0.79476%0.761SS**  trans-56.586.7176.8-167-179.2178.800110.4A47 R51A47-E49 PolarHBondContact O-N 3.4Å; E49-R51 VanDerWaalsContact C-N 3.25Å; E49-R51 PolarHBondContact O-N 2.86Å
50Q54.7Low55.2Low181 Ų181145.1 Ų145.185%0.84676%0.755SS**  trans-6793.5163.3-76.9-158.2-6.500107.3A48 K52A48-Q50 VanDerWaalsContact C-N 3.3Å; A48-Q50 PolarHBondContact O-N 3.19Å; Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 3.19Å
51R53.2Low55.2Low219 Ų219142 Ų14283%0.82675%0.75SS**  trans-51.896.3166.4-84.3-177.3166.4159.9-3108.9E49E49-R51 VanDerWaalsContact C-N 3.25Å; E49-R51 PolarHBondContact O-N 2.86Å
52K63.5Low55Low187 Ų187141.8 Ų141.881%0.81375%0.748SS**PPolyproline II helixtrans-60132.4166.1-71.6177.3-179176.90107.7Q50 R54Q50-K52 VanDerWaalsContact C-N 3.32Å; Q50-K52 PolarHBondContact O-N 3.19Å; K52-R54 PolarHBondContact O-N 2.68Å; K52-R54 VanDerWaalsContact O-N 3.09Å
53P65.2Low55.1Low131 Ų131137.5 Ų137.585%0.85174%0.736SS**PPolyproline II helixtrans-53.6119.5178-23.431.6000110.1R55P53-R55 PolarHBondContact O-N 3.4Å
54R58.9Low55.3Low225 Ų225139.2 Ų139.285%0.84974%0.738SS**PPolyproline II helixtrans-64.1121.3174.2-165176.1-178.1108.5-3.1106.5K52 E56K52-R54 PolarHBondContact O-N 2.68Å; K52-R54 VanDerWaalsContact O-N 3.09Å; R54-E56 WeakPolarHBondContact O-CG 2.96Å; R54-E56 PolarHBondContact O-N 3.35Å
55R69.5Low55.6Low221 Ų221143.2 Ų143.283%0.83475%0.747SS**  trans-69.197.9-178.3-166177.4-173.3-1331.1109.3P53 S57P53-R55 PolarHBondContact O-N 3.4Å; R55-S57 PolarHBondContact O-N 3.35Å
56E60.7Low56.4Low181 Ų181149.4 Ų149.485%0.84675%0.748SS**  trans-8483.4174.6-50.6-160.4-174.200109.4R54R54-E56 WeakPolarHBondContact O-CG 2.96Å; R54-E56 PolarHBondContact O-N 3.35Å
57S53.4Low56.7Low74 Ų74148.4 Ų148.452%0.51774%0.743SS.*  trans-156.440.6170.970.90000112.2R55R55-S57 PolarHBondContact O-N 3.35Å
58A47.2Very low57.3Low112 Ų112147 Ų14793%0.92673%0.731SS**  trans-108.655.5163.300000108.5
59S58.2Low57.4Low104 Ų104149.7 Ų149.773%0.72773%0.733SS**  trans-105.2129.6165.160.60000107.6
60H45.6Very low57.6Low92 Ų92149.7 Ų149.743%0.42673%0.733SS.*  trans84.570159.7-128.789.6000118.7E63H60-E63 WeakPolarHBondContact CD2-CB 3.39Å; H60-E63 PolarHBondContact CD2-N 3.4Å; H60-E63 IonicContact CD2-OE2 3Å; H60-E63 PolarHBondContact CD2-OE2 3.03Å; H60-E63 WeakPolarHBondContact CE1-CG 3.25Å; H60-E63 IonicContact CE1-OE1 3.42Å; H60-E63 PolarHBondContact CE1-OE1 3.45Å; H60-E63 IonicContact CE1-OE2 3.35Å; H60-E63 PolarHBondContact CE1-OE2 3.41Å; H60-E63 IonicContact CG-OE2 3.57Å; H60-E63 IonicContact ND1-OE1 3.52Å; H60-E63 IonicContact ND1-OE2 3.63Å; H60-E63 WeakPolarHBondContact NE2-CA 3.36Å; H60-E63 WeakPolarHBondContact NE2-CB 3.35Å; H60-E63 WeakPolarHBondContact NE2-CG 3.49Å; H60-E63 PolarHBondContact NE2-N 3.34Å; H60-E63 IonicContact NE2-OE1 3.69Å; H60-E63 IonicContact NE2-OE2 3.35Å; H60-E63 PolarHBondContact NE2-OE2 3.01Å
61V56.6Low57.6Low104 Ų104146.6 Ų146.663%0.6373%0.728SS**SBendtrans-98.2-23159.4174.50000111.8F65V61-F65 HydrophobicContact CG1-CE2 4.07Å; V61-F65 WeakPolarHBondContact O-CD2 3.22Å
62E56.9Low57.5Low148 Ų148147.9 Ų147.969%0.69273%0.733SS**Hα-helixtrans-72.3-30.4-176.8-10774.2-160.300116.4F64 F65 R66E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 3.07Å; E62-F65 PolarHBondContact O-N 3.27Å; E62-R66 PolarHBondContact O-N 3.34Å
63E57.9Low56.9Low115 Ų115145.4 Ų145.454%0.53773%0.734SS.*Hα-helixtrans-72.2-24.3176.7-83.5154.1-164.100112.6H60 F65 R66H60-E63 WeakPolarHBondContact CD2-CB 3.39Å; H60-E63 PolarHBondContact CD2-N 3.4Å; H60-E63 IonicContact CD2-OE2 3Å; H60-E63 PolarHBondContact CD2-OE2 3.03Å; H60-E63 WeakPolarHBondContact CE1-CG 3.25Å; H60-E63 IonicContact CE1-OE1 3.42Å; H60-E63 PolarHBondContact CE1-OE1 3.45Å; H60-E63 IonicContact CE1-OE2 3.35Å; H60-E63 PolarHBondContact CE1-OE2 3.41Å; H60-E63 IonicContact CG-OE2 3.57Å; H60-E63 IonicContact ND1-OE1 3.52Å; H60-E63 IonicContact ND1-OE2 3.63Å; H60-E63 WeakPolarHBondContact NE2-CA 3.36Å; H60-E63 WeakPolarHBondContact NE2-CB 3.35Å; H60-E63 WeakPolarHBondContact NE2-CG 3.49Å; H60-E63 PolarHBondContact NE2-N 3.34Å; H60-E63 IonicContact NE2-OE1 3.69Å; H60-E63 IonicContact NE2-OE2 3.35Å; H60-E63 PolarHBondContact NE2-OE2 3.01Å; E63-F65 PolarHBondContact O-N 3.26Å; E63-R66 PolarHBondContact O-N 3.28Å
64F57.8Low55.7Low175 Ų175144.1 Ų144.177%0.76873%0.734SS**Hα-helixtrans-62.8-26.4176.7-102.2-82000112.1E62E62-F64 VanDerWaalsContact C-N 3.33Å; E62-F64 PolarHBondContact O-N 3.07Å
65F63.5Low54.9Low149 Ų149136.5 Ų136.565%0.65473%0.725SS**Hα-helixtrans-95.4-21.4178.4-64.6-75.8000113.7V61 E62 E63 N67 A68V61-F65 HydrophobicContact CG1-CE2 4.07Å; V61-F65 WeakPolarHBondContact O-CD2 3.22Å; E62-F65 PolarHBondContact O-N 3.27Å; E63-F65 PolarHBondContact O-N 3.26Å; F65-N67 VanDerWaalsContact C-N 3.28Å; F65-N67 PolarHBondContact O-N 2.91Å; F65-A68 PolarHBondContact O-N 3.25Å
66R60.8Low53.5Low203 Ų203138.2 Ų138.277%0.76673%0.732SS**Hα-helixtrans-71.4-21.7176.5-74.6-151179.1-162.92114.2E62 E63E62-R66 PolarHBondContact O-N 3.34Å; E63-R66 PolarHBondContact O-N 3.28Å
67N56.3Low52.7Low136 Ų136138.7 Ų138.773%0.72773%0.731SS**THydrogen-bonded Turntrans-92.20.2176.9-66.5-26.1000113.6F65 D69F65-N67 VanDerWaalsContact C-N 3.28Å; F65-N67 PolarHBondContact O-N 2.91Å; N67-D69 VanDerWaalsContact C-N 3.34Å
68A58.3Low52Low69 Ų69141.1 Ų141.157%0.5775%0.748SS**THydrogen-bonded Turntrans-84.1-4.8-178.700000114.1F65 Q70F65-A68 PolarHBondContact O-N 3.25Å; A68-Q70 PolarHBondContact O-N 3.05Å
69D55.9Low52Low147 Ų147139.7 Ų139.779%0.78673%0.732SS**THydrogen-bonded Turntrans-82.214.5-179.2-76.1-27.2000114.6N67 P71N67-D69 VanDerWaalsContact C-N 3.34Å; D69-P71 VanDerWaalsContact O-CD 3.22Å; D69-P71 WeakPolarHBondContact O-CD 3.3Å
70Q55.1Low51.3Low171 Ų171141.7 Ų141.780%0.79974%0.739SS**  trans-84.9112.6167.9-98.3-173.33.100110.8A68 R72A68-Q70 PolarHBondContact O-N 3.05Å; Q70-R72 PolarHBondContact O-N 3.01Å
71P55.9Low51.1Low115 Ų115141.8 Ų141.875%0.74775%0.75SS**  trans-65.5110.1172.126.7-32000108.8D69 V73D69-P71 VanDerWaalsContact O-CD 3.22Å; D69-P71 WeakPolarHBondContact O-CD 3.3Å; P71-V73 PolarHBondContact O-N 2.91Å
72R50.7Low50.3Low246 Ų246141.5 Ų141.593%0.92876%0.758SS**  trans-65.4104.8166.9-71.9-169.6-176.4126.61.1108.3Q70Q70-R72 PolarHBondContact O-N 3.01Å
73V49.8Very low49.7Very low136 Ų136141.8 Ų141.882%0.82476%0.763SS**  trans-61.6135.4167.9178.90000108.6P71P71-V73 PolarHBondContact O-N 2.91Å
74A41.6Very low49.2Very low103 Ų103141.6 Ų141.685%0.85177%0.773SS**SBendtrans72.486.9169.200000117.3
75G41Very low48.3Very low65 Ų65137.6 Ų137.667%0.6778%0.781SS**  trans-178.294.2163.800000110.8F77G75-F77 PolarHBondContact O-N 3.19Å
76R39.8Very low47Very low258 Ų258134.3 Ų134.397%0.97478%0.777SS**  trans-57.597.6177.4-67.1175.6170.1-174.3-3.5110.2
77F44.1Very low45.8Very low190 Ų190129.9 Ų129.983%0.83378%0.777SS**  trans-111.495.5162.2-99-87000108.9G75 S79G75-F77 PolarHBondContact O-N 3.19Å; F77-S79 PolarHBondContact O-N 3.2Å
78S38.4Very low45Very low125 Ų125134 Ų13487%0.87478%0.783SS**  trans-76.587.8165.2174.40000108
79S48.7Very low44.3Very low83 Ų83136.9 Ų136.958%0.5879%0.793SS**  trans-146.678.4164.962.40000109.1F77 S81F77-S79 PolarHBondContact O-N 3.2Å; S79-S81 PolarHBondContact O-N 3.05Å
80V42.3Very low43.4Very low145 Ų145134.9 Ų134.988%0.87979%0.79SS**  trans-77.777.8164.4-175.40000106.7
81S42.2Very low42.6Very low94 Ų94131.4 Ų131.466%0.65779%0.791SS**  trans-93102.9164.4-69.10000106.7S79 I83S79-S81 PolarHBondContact O-N 3.05Å; S81-I83 VanDerWaalsContact C-N 3.29Å; S81-I83 PolarHBondContact O-N 3.05Å
82A39.3Very low41.8Very low98 Ų98132 Ų13281%0.8179%0.792SS**  trans-61.890.8173.100000109.5
83I45.3Very low41.4Very low155 Ų155125.9 Ų125.980%0.79579%0.785SS**  trans-92.9116.8165.9-57.6172.6000105.3S81S81-I83 VanDerWaalsContact C-N 3.29Å; S81-I83 PolarHBondContact O-N 3.05Å
84C46.8Very low40.7Very low111 Ų111125.7 Ų125.775%0.7578%0.783SS**SBendtrans71.364.9174.2-119.30000116.5S86C84-S86 PolarHBondContact O-N 3.38Å; C84-S86 PolarHBondContact O-OG 2.97Å
85G38.1Very low40.5Very low90 Ų90126 Ų12693%0.92878%0.779SS**SBendtrans5313.8141.400000120
86S37.2Very low40.2Very low80 Ų80130.2 Ų130.256%0.55979%0.786SS**  trans-142.886.6-175.341.20000109.3C84 W88C84-S86 PolarHBondContact O-N 3.38Å; C84-S86 PolarHBondContact O-OG 2.97Å; S86-W88 PolarHBondContact O-N 3.01Å
87S35.5Very low40Very low110 Ų110122.6 Ų122.677%0.76978%0.779SS**  trans-73.8103.9163.3-178.70000107.6V89S87-V89 PolarHBondContact O-N 3.16Å
88W39.7Very low39.7Very low224 Ų224117.8 Ų117.885%0.84877%0.774SS**  trans-80.795.2165.3-6584.4000107S86 S90S86-W88 PolarHBondContact O-N 3.01Å; W88-S90 PolarHBondContact O-N 3.33Å
89V42.9Very low39.6Very low129 Ų129121 Ų12178%0.78278%0.775SS**  trans-73.2105.8161.1177.80000106S87 A91S87-V89 PolarHBondContact O-N 3.16Å; V89-A91 PolarHBondContact O-N 3.19Å
90S36.5Very low38.7Very low105 Ų105121 Ų12173%0.73479%0.788SS**PPolyproline II helixtrans-51.8129.6171.9-71.40000110.5W88 T92W88-S90 PolarHBondContact O-N 3.33Å; S90-T92 PolarHBondContact O-N 3.31Å
91A39Very low38.5Very low98 Ų98118.9 Ų118.981%0.8179%0.785SS**PPolyproline II helixtrans-65.8116.9167.200000108.6V89V89-A91 PolarHBondContact O-N 3.19Å
92T39Very low38.1Very low126 Ų126123 Ų12377%0.77380%0.795SS**PPolyproline II helixtrans-59.9134.4164.833.80000108.9S90 V94S90-T92 PolarHBondContact O-N 3.31Å; T92-V94 PolarHBondContact O-N 3.2Å
93P42.6Very low38.1Very low119 Ų119126.9 Ų126.977%0.77380%0.801SS**PPolyproline II helixtrans-68.1126.6-178.526.5-31.8000110S95P93-S95 PolarHBondContact O-N 3.07Å; P93-S95 VanDerWaalsContact O-N 3.16Å
94V34.7Very low37.6Very low131 Ų131125.6 Ų125.679%0.79481%0.805SS**  trans-60.5111.5163.5178.70000107.2T92T92-V94 PolarHBondContact O-N 3.2Å
95S37.6Very low37.1Very low109 Ų109123.6 Ų123.676%0.76280%0.803SS**  trans-113113.8160.957.70000107.8P93P93-S95 PolarHBondContact O-N 3.07Å; P93-S95 VanDerWaalsContact O-N 3.16Å
96N34.1Very low36.8Very low155 Ų155130.6 Ų130.683%0.82980%0.802SS**  trans-75.5118.7162.4-72.6-30.1000107.2
97A36.1Very low36.8Very low98 Ų98135 Ų13581%0.8182%0.818SS**  trans-159.6134.4150.900000108.3
98A37Very low36.6Very low88 Ų88137.9 Ų137.973%0.72782%0.824SS**  trans-64.8171-178.900000113
99E36.5Very low36.2Very low194 Ų194131.9 Ų131.991%0.90782%0.816SS**  trans74.8110.2167.6-54.1-178.7156.900113.7
100G30.7Very low35.6Very low83 Ų83131.5 Ų131.586%0.85682%0.819SS**  93.671.654.800000109.4
101A37.9Very low35.4Very low99 Ų99133.6 Ų133.682%0.81882%0.821SS**  trans-166.5117.2155.100000111
102Q33.8Very low35Very low182 Ų182133.8 Ų133.885%0.8582%0.816SS**  trans-47.2131159.7-68169.9-20.700110.9
103L39.1Very low34.9Very low179 Ų179133.5 Ų133.594%0.93781%0.814SS**  trans-142.8103.6139.4-78.4-176.8000109.5
104S36Very low34.4Very low128 Ų128131.5 Ų131.590%0.89581%0.807SS**  trans-61.1139.5165.1-178.40000110.6
105G35.1Very low34.5Very low68 Ų68133.1 Ų133.170%0.70181%0.811SS**  trans169.873.9173.600000115.7
106R32.1Very low34.6Very low238 Ų238133.1 Ų133.190%0.89881%0.806SS**  trans22.8116.4144.8-76.5177.7163.3172.7-4.5117.6
107L36.6Very low34.9Very low172 Ų172130 Ų13090%0.90180%0.795SS**  -150.998.2129.9-100167.8000108.4
108L30.8Very low35.1Very low170 Ų170130 Ų13089%0.8978%0.781SS**  trans-79.6119.1165.3-73.9162.6000107.6
109S32.8Very low35.4Very low99 Ų99130.5 Ų130.569%0.69278%0.775SS**  trans-149.386.715652.70000108.4I111S109-I111 PolarHBondContact O-N 3.27Å
110S29.6Very low35.5Very low121 Ų121130.1 Ų130.185%0.84677%0.767SS**  trans-60.4112.1162.148.10000109.1
111I33Very low36.2Very low149 Ų149129.6 Ų129.676%0.76475%0.75SS**  trans-88.1108.3163.6-63.3171.1000105.6S109 V113S109-I111 PolarHBondContact O-N 3.27Å; I111-V113 PolarHBondContact O-N 2.98Å
112S29.4Very low36.4Very low102 Ų102130.4 Ų130.471%0.71374%0.74SS**  trans-71.5118.5169.560.40000108.6A114S112-A114 PolarHBondContact O-N 3.38Å
113V36.7Very low36.8Very low120 Ų120126.4 Ų126.473%0.72772%0.724SS**  trans-83.573.9170.8-174.60000107.2I111 V116I111-V113 PolarHBondContact O-N 2.98Å; V113-V116 HydrophobicContact CG1-CG2 3.66Å
114A32.8Very low36.9Very low77 Ų77128.2 Ų128.264%0.63672%0.718SS**  trans-122.155173.900000109S112S112-A114 PolarHBondContact O-N 3.38Å
115N37Very low37.2Very low164 Ų164129 Ų12988%0.87771%0.712SS**  trans-177.149.9168.4-111.1-12.8000112.9P117N115-P117 WeakPolarHBondContact O-CD 3.43Å
116V38.7Very low37.6Very low109 Ų109130.6 Ų130.666%0.66171%0.709SS**  trans-95.5112.1166.5-176.80000107.1V113 D118V113-V116 HydrophobicContact CG1-CG2 3.66Å; V116-D118 PolarHBondContact O-N 3.22Å
117P41.7Very low37.7Very low90 Ų90127.1 Ų127.158%0.58470%0.7SS**  trans-64.9128.6178.526.8-30.5000108.2N115 V119N115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-V119 PolarHBondContact O-N 3.14Å
118D40.8Very low37.7Very low98 Ų98125.3 Ų125.352%0.52470%0.696SS.*  trans-54.2112176.6-169.1-1.9000109.2V116 Y120 S121V116-D118 PolarHBondContact O-N 3.22Å; D118-Y120 PolarHBondContact O-N 3.38Å; D118-Y120 PolarHBondContact OD1-N 3.23Å; D118-S121 WeakPolarHBondContact O-CB 3.05Å; D118-S121 PolarHBondContact O-N 3.26Å
119V43.2Very low37.7Very low99 Ų99122.5 Ų122.560%0.669%0.69SS**THydrogen-bonded Turntrans-60.3-15.4-178.51790000110.8P117P117-V119 PolarHBondContact O-N 3.14Å
120Y38.5Very low37.7Very low185 Ų185122.3 Ų122.373%0.72569%0.686SS**THydrogen-bonded Turntrans-80.9-19.9171.9-77.6-85.3000114.9D118D118-Y120 PolarHBondContact O-N 3.38Å; D118-Y120 PolarHBondContact OD1-N 3.23Å
121S44.8Very low37.9Very low72 Ų72127.2 Ų127.250%0.50369%0.688SS.*THydrogen-bonded Turntrans-80.9-32.1176.4-63.50000112.1D118 L123 R124D118-S121 WeakPolarHBondContact O-CB 3.05Å; D118-S121 PolarHBondContact O-N 3.26Å; S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 2.85Å; S121-R124 PolarHBondContact O-N 3.02Å
122L42.4Very low37.9Very low117 Ų117126.2 Ų126.261%0.61369%0.688SS**THydrogen-bonded Turntrans-70.4-22.6175.8-89.2154.2000113.7T126L122-T126 PolarHBondContact O-OG1 3.25Å
123L42.2Very low38.1Very low97 Ų97129.9 Ų129.951%0.50870%0.699SS.*THydrogen-bonded Turntrans-86.2-15.7178.1-88.6155.2000113.6S121 F127S121-L123 VanDerWaalsContact C-N 3.29Å; S121-L123 PolarHBondContact O-N 2.85Å; L123-F127 HydrophobicContact CD2-CE2 4.07Å; L123-F127 WeakPolarHBondContact O-CD2 3.17Å
124R41.4Very low38.1Very low218 Ų218130 Ų13082%0.82370%0.7SS**THydrogen-bonded Turntrans-83.6-25177.1-80.9-162.3176.2-169.31.1113.6S121S121-R124 PolarHBondContact O-N 3.02Å
125D42.4Very low38.1Very low143 Ų143134.3 Ų134.377%0.76571%0.707SS**SBendtrans-92.3-1.1-176.5-71.6-18000114.2
126T42.3Very low38.1Very low103 Ų103135 Ų13563%0.63271%0.71SS**SBendtrans-107.54.8-175.7-3.80000115.7L122L122-T126 PolarHBondContact O-OG1 3.25Å
127F35.8Very low37.8Very low165 Ų165138.8 Ų138.872%0.72472%0.717SS**  trans-12361.6-177.5-70.3-80.4000112.8L123L123-F127 HydrophobicContact CD2-CE2 4.07Å; L123-F127 WeakPolarHBondContact O-CD2 3.17Å
128T35.3Very low37.5Very low133 Ų133139.8 Ų139.882%0.81673%0.726SS**  trans-91.298.8163.7-48.10000108.2
129C30.7Very low37.2Very low112 Ų112140.2 Ų140.276%0.75774%0.735SS**  trans-65.6124.8175.9-155.60000109.3
130P34.2Very low37.1Very low95 Ų95142.2 Ų142.262%0.61775%0.747SS**SBendtrans-69.3150.2164.933.2-30.5000106.7
131Y33.1Very low37.1Very low224 Ų224136.4 Ų136.488%0.87874%0.743SS**  trans88.257-177.1-60.6-90.9000117.4
132V33.5Very low36.9Very low127 Ų127139.9 Ų139.977%0.7776%0.761SS**  trans-154.385.2136.2-170.10000108.3
133L31.9Very low36.7Very low179 Ų179138.8 Ų138.894%0.93777%0.768SS**  trans-122.587162.6-84.6170000107.4
134T37.6Very low36.5Very low122 Ų122139.8 Ų139.875%0.74878%0.781SS**  trans-105.799.8164.421.50000108
135E33.2Very low36.3Very low168 Ų168137.3 Ų137.379%0.78578%0.783SS**  trans-5.9113.1156.1-65.9-82.4147.500116.2
136L36.1Very low36.2Very low178 Ų178135.8 Ų135.893%0.93278%0.779SS**  trans-126.293.5157.8-100.3158.9000108.3
137K33.8Very low36.1Very low190 Ų190140.3 Ų140.383%0.82679%0.79SS**  trans-77.8126.9175.6-161.697.4172.1-1740109.6
138S34.3Very low36Very low110 Ų110137.6 Ų137.677%0.76979%0.79SS**  trans-139.7134.4165.1152.20000109.2
139P35.4Very low36.3Very low108 Ų108136.2 Ų136.270%0.70178%0.784SS**  trans-100170.7-174.137.3-29.3000113.7
140V41.4Very low36.6Very low141 Ų141138.9 Ų138.986%0.85579%0.79SS**  trans87.2124.3165.3-164.20000114.3
141G36.6Very low36.8Very low62 Ų62137.6 Ų137.664%0.63980%0.795SS**  cis124.1110.312.400000110.9
142V41.1Very low37.2Very low146 Ų146134.3 Ų134.389%0.88579%0.791SS**  trans99.794.9154.2-162.60000120.3
143A38.6Very low37.6Very low93 Ų93138.2 Ų138.277%0.76980%0.797SS**  47.3136.1127.600000125.5
144P38.2Very low37.8Very low119 Ų119133.4 Ų133.477%0.77379%0.791SS**  trans-116.4164.7-179.442.6-31.9000115.9
145L36.2Very low37.6Very low166 Ų166132.8 Ų132.887%0.86980%0.798SS**  trans168.4138.4156.9-95.7146.2000107
146T40.1Very low37.8Very low111 Ų111134 Ų13468%0.68180%0.801SS**  cis-170.4140.135.714.70000110.4
147K40.2Very low37.8Very low197 Ų197131.2 Ų131.286%0.85780%0.796SS**  trans37.5139.4134.4-77.4-178.1-179.3179.10120.9
148C35.2Very low37.8Very low108 Ų108128.5 Ų128.573%0.7380%0.795SS**  cis-165.4-158.118.8-87.60000108
149P40.7Very low37.8Very low105 Ų105128.9 Ų128.968%0.68280%0.798SS**  -121.5179.4-80.738.8-21.4000113.3
150N38.2Very low37.9Very low167 Ų167129.9 Ų129.989%0.89380%0.802SS**  trans77.7117.8168.7-61.6-10.7000117.8
151G37.3Very low37.7Very low69 Ų69127.6 Ų127.671%0.71179%0.792SS**  trans145.774.2160.900000115.2
152I42Very low37.6Very low155 Ų155132.2 Ų132.280%0.79580%0.802SS**  trans26.8125.2140.2-27.6177.9000117.8
153K40.7Very low37.4Very low208 Ų208135.3 Ų135.390%0.90480%0.8SS**  trans103.4121.3155.3-55.6-176.5-177.3177.10116.5
154G36.9Very low37.1Very low79 Ų79136.8 Ų136.881%0.81480%0.804SS**  trans123.873153.900000115.1K156G154-K156 PolarHBondContact O-N 3.01Å
155A32.6Very low37.2Very low108 Ų108137.3 Ų137.389%0.89381%0.805SS**  trans-71.2108.4169.800000110.5
156K38.5Very low37.2Very low195 Ų195139.2 Ų139.285%0.84881%0.806SS**  trans-143.2128.7155.7-78.4-169.7178.8175.80110.9G154G154-K156 PolarHBondContact O-N 3.01Å
157S36.6Very low37.3Very low119 Ų119140.2 Ų140.283%0.83281%0.812SS**  trans62.6111.4157.657.20000120.1
158V33.2Very low37.4Very low133 Ų133139.1 Ų139.181%0.80681%0.81SS**  trans-87.3125.6159.2171.40000108.1V160V158-V160 HydrophobicContact CG1-CG2 3.97Å
159S33.7Very low37.4Very low117 Ų117139.6 Ų139.682%0.81881%0.812SS**  trans-102.6135.9160.456.60000108.9
160V38.5Very low37.3Very low129 Ų129143.4 Ų143.478%0.78282%0.821SS**  trans-110.7140.4176.1174.40000108.9V158V158-V160 HydrophobicContact CG1-CG2 3.97Å
161S36.4Very low37.2Very low94 Ų94144.1 Ų144.166%0.65782%0.818SS**  trans-70.9166.1-161.9-55.50000117.5
162D34.8Very low37.5Very low158 Ų158146.6 Ų146.685%0.84583%0.825SS**  trans-53.2143.7176.8-55.6-70.1000116.4
163Y38Very low37.2Very low212 Ų212144.6 Ų144.683%0.83183%0.825SS**  trans-133.5116154.915.1-91.1000108.9
164S31.5Very low37.2Very low123 Ų123140.1 Ų140.186%0.8682%0.817SS**  trans-101.3121.2167.5-74.30000108.9
165V39.9Very low36.9Very low130 Ų130147 Ų14779%0.78882%0.818SS**  trans-111118.1166.9175.60000107.8
166K36.9Very low37.5Very low206 Ų206149.5 Ų149.590%0.89682%0.815SS**  trans-75.8131.8168.8-82.7175.6170.11800109.2
167T41.6Very low37.4Very low132 Ų132148.5 Ų148.581%0.8181%0.81SS**  trans-127.2115159.934.30000109.3
168E42.1Very low37.8Very low174 Ų174151 Ų15181%0.81381%0.814SS**  trans-70.5146.1165.5-100.8-117.3126.200111.1
169P36Very low38Very low118 Ų118152.9 Ų152.977%0.76681%0.814SS**  trans-104.1125.8163.634.1-21.6000110.4
170Q37.9Very low38Very low186 Ų186153.7 Ų153.787%0.86981%0.814SS**  trans-119.6121.3166.2-148.8-168.411.500111.2
171E35.8Very low38Very low181 Ų181153.5 Ų153.585%0.84681%0.813SS**  trans-62.9143.4170.6-69.2171.698.200112.5
172S44.7Very low38.2Very low121 Ų121156.9 Ų156.985%0.84682%0.819SS**  trans-175119.8131.136.80000111.8
173S35.2Very low38.3Very low113 Ų113158.3 Ų158.379%0.7982%0.82SS**  trans-72174.9162.9-119.90000110.5
174P41Very low38.3Very low114 Ų114153.1 Ų153.174%0.7482%0.821SS**  cis-148.6148.540.436.3-12.8000119.5
175R30.3Very low38.7Very low225 Ų225152.7 Ų152.785%0.84982%0.818SS**  22116.8126.1-128.4174.1-160.4155.54.5119
176I44.5Very low38.8Very low159 Ų159152.4 Ų152.482%0.81582%0.819SS**  trans-116.8119.1152.8-57.2174.5000108
177K37.1Very low39Very low174 Ų174151.4 Ų151.476%0.75782%0.817SS**  trans-84.1140.1163.8-81.8176.4170.1-176.90108.1
178L44.8Very low38.7Very low173 Ų173149.6 Ų149.691%0.90682%0.816SS**  trans-144.3128.1151.9-108153.4000109
179E38.2Very low38.6Very low172 Ų172153 Ų15380%0.80482%0.821SS**  trans-83.3145.4-169.8-70.5168.8116.900113
180T33.4Very low39.1Very low134 Ų134157.1 Ų157.182%0.82283%0.827SS**  trans0.4126141.6-15.20000120.2
181T38.6Very low39.2Very low124 Ų124157.7 Ų157.776%0.76183%0.827SS**  trans-166.2110.6138-21.70000109
182E40.9Very low39.9Very low166 Ų166154.8 Ų154.878%0.77682%0.824SS**  77.597.6112-155.1178148.900114.5
183E35.5Very low39.5Very low188 Ų188154.5 Ų154.588%0.87982%0.822SS**  6596.4101.1-154-172.414600114.8
184A39.1Very low39.8Very low103 Ų103153.4 Ų153.485%0.85182%0.819SS**  trans-157.2125.6153.900000111.4
185S39.2Very low39.7Very low113 Ų113155.4 Ų155.479%0.7982%0.824SS**PPolyproline II helixtrans-60.4146.8-175.6-178.60000115.4
186P42.2Very low41Very low124 Ų124155.2 Ų155.281%0.80582%0.824SS**PPolyproline II helixtrans-83.7117.717631.8-29.9000111.9A188P186-A188 PolarHBondContact O-N 2.76Å
187Q41.5Very low40.6Very low185 Ų185154 Ų15486%0.86482%0.824SS**PPolyproline II helixtrans-68.4128.2169.2-97.9-175.8-1700111.6
188A35.8Very low40.7Very low94 Ų94153.2 Ų153.278%0.77783%0.827SS**PPolyproline II helixtrans-64.3128.5177.200000112.9P186P186-A188 PolarHBondContact O-N 2.76Å
189W39.4Very low40.6Very low245 Ų245150.7 Ų150.793%0.92882%0.819SS**  trans-86.5115.2168-72.852.7000108.9
190K45.8Very low40.4Very low205 Ų205147.4 Ų147.489%0.89182%0.821SS**PPolyproline II helixtrans-82.4124.1171.6-70.7-176.3175.8-175.10109.5
191F39.9Very low40.7Very low198 Ų198148.8 Ų148.887%0.86882%0.823SS**PPolyproline II helixtrans-88.1144.7161.1-86.4-88.8000110
192P51.8Low40.6Very low121 Ų121148.1 Ų148.179%0.78682%0.823SS**PPolyproline II helixtrans-83.9141.3173.910.95.5000112.1
193S34.7Very low40.2Very low115 Ų115145.6 Ų145.680%0.80482%0.824SS**PPolyproline II helixtrans-60.4141.7169.3-73.40000112.4
194A42.4Very low40.5Very low89 Ų89142.4 Ų142.474%0.73682%0.819SS**  trans-116.9111.6163.700000109.2
195D39.1Very low40.4Very low157 Ų157146.5 Ų146.584%0.8482%0.821SS**  trans-76.4129.9168.2-65.3-43.7000109.5
196W56.2Low40.6Very low221 Ų221150.2 Ų150.284%0.83783%0.828SS**  trans-137110.2162.357-83.7000109.6
197T37.1Very low40.5Very low133 Ų133148.5 Ų148.582%0.81682%0.824SS**  trans-103.6117169.2-16.60000106.4
198L40Very low40.3Very low157 Ų157147.1 Ų147.182%0.82282%0.823SS**  trans-135.2100.7166.6-81176.2000110.8
199T41.4Very low40.1Very low121 Ų121148.8 Ų148.874%0.74283%0.827SS**  trans1.2124.4142-43.20000117.6
200A33.8Very low39.8Very low103 Ų103145.9 Ų145.985%0.85182%0.824SS**  trans-75.3126.6163.800000110.7
201L40.4Very low39.5Very low163 Ų163142.1 Ų142.185%0.85382%0.821SS**  trans-108.4138.5167.5-90.3159000109.9
202S37.6Very low39.2Very low109 Ų109143.2 Ų143.276%0.76282%0.819SS**  trans-64.7154.2-170.2440000116.4
203S31Very low38.5Very low113 Ų113149.3 Ų149.379%0.7983%0.826SS**  trans-49.9167.1170.6-51.50000115.3
204P42.4Very low38.7Very low121 Ų121151.6 Ų151.679%0.78682%0.824SS**  -145.5149.399.533.2-14.6000117.1
205Q36.3Very low38.4Very low190 Ų190153.4 Ų153.489%0.88883%0.829SS**  trans-1131.6155.3-65.2175.5-35.500120.7
206M44.5Very low38.9Very low191 Ų191153 Ų15394%0.94183%0.825SS**  trans-130.6133.5149.8-88-86.4-68.200108.7
207A39.2Very low38Very low88 Ų88151.3 Ų151.373%0.72783%0.826SS**  trans-84.7159.2-16500000114.9
208N37Very low38.6Very low156 Ų156154.4 Ų154.483%0.83483%0.829SS**  trans50112.3148.1-82.1-13.3000119.9
209C33Very low38.9Very low129 Ų129154.2 Ų154.287%0.87283%0.829SS**  179.7118.1121.1-90.80000110.2
210Q32.8Very low38.9Very low184 Ų184153.9 Ų153.986%0.8683%0.829SS**  trans-126.5129.3167.1-87.5-88.8-28.200107.8
211P39.1Very low39.4Very low126 Ų126157.6 Ų157.682%0.81883%0.833SS**  trans-109.3117.2158.211.88.2000110.6
212R33Very low39.3Very low220 Ų220159.8 Ų159.883%0.8384%0.836SS**  trans-86121.2171.7-178.6-175-172.7176.62.2109.2
213R38.4Very low39.4Very low250 Ų250158.4 Ų158.494%0.94384%0.838SS**  trans-146.1140.3155.1-82-161.7172.4164.6-1.8111.7
214Q37.9Very low39.8Very low162 Ų162157.4 Ų157.476%0.75784%0.837SS**PPolyproline II helixtrans-82.3167-165.4-73.4174-29.700113.7
215P35.7Very low40.2Very low128 Ų128160.5 Ų160.583%0.83184%0.843SS**PPolyproline II helixtrans-82.3148-178.527-18.1000112.5
216I50Low40.4Very low148 Ų148158.3 Ų158.376%0.75984%0.838SS**PPolyproline II helixtrans-94.3128.1175.7-64.2170.4000108.7F218I216-F218 HydrophobicContact CG2-CD2 3.62Å; I216-F218 HydrophobicContact CG2-CE2 3.84Å
217E38.5Very low40.8Very low186 Ų186159.3 Ų159.387%0.86984%0.837SS**PPolyproline II helixtrans-101.8135.9170.4-171.5173.5-154.500108.2
218F49.6Very low40.9Very low197 Ų197163 Ų16386%0.86484%0.836SS**  trans-135.6122.5168-99.8-82.1000109.4I216I216-F218 HydrophobicContact CG2-CD2 3.62Å; I216-F218 HydrophobicContact CG2-CE2 3.84Å
219D45.6Very low41.2Very low154 Ų154161.9 Ų161.982%0.82484%0.84SS**  trans-85.6150.5178.7-140.3-2.8000110.4
220P40.7Very low41.7Very low114 Ų114162.1 Ų162.174%0.7483%0.832SS**  trans-97.9133.9-172.534.8-25.8000113
221L45.1Very low42Very low180 Ų180157.2 Ų157.294%0.94283%0.831SS**  trans-111.4107.4172.1-90.2164.1000112.9
222K38.7Very low42Very low210 Ų210160.1 Ų160.191%0.91383%0.834SS**  trans-13.8138.3146.9-141.9173.7-174.7-179.80117.3
223G39.9Very low42.4Very low79 Ų79154.8 Ų154.881%0.81483%0.827SS**  trans-176.295.2162.700000112.7
224A38.5Very low42.4Very low93 Ų93148.3 Ų148.377%0.76982%0.821SS**  trans-80.8149.4173.400000111.2
225M50.3Low42.7Very low186 Ų186145.6 Ų145.692%0.91682%0.817SS**  trans-156.2120.8151.6-93.8-105.3115.200109.7
226D41.6Very low42.9Very low144 Ų144147.2 Ų147.277%0.7782%0.818SS**  trans-62.9142.5174.4-60.8-74.3000113.2
227K53Low42.1Very low212 Ų212149.1 Ų149.192%0.92282%0.824SS**  trans-141.9113.9141.9-78.5-163.6178.8173.90110.8
228K40.9Very low42.3Very low164 Ų164145.6 Ų145.671%0.71382%0.817SS**  trans-87.7131.6173.8-172179.6-176.4-173.10108.4D230K228-D230 VanDerWaalsContact CE-OD1 3.31Å; K228-D230 WeakPolarHBondContact CE-OD1 3.47Å; K228-D230 WeakPolarHBondContact CE-OD2 3.5Å
229C43.7Very low41.5Very low134 Ų134147 Ų14791%0.90582%0.816SS**  trans-130.9109158.3-81.90000107.5
230D42.1Very low40.9Very low134 Ų134148.5 Ų148.572%0.71782%0.824SS**  trans-72.5146.1170.4-59.4-65000110.1K228K228-D230 VanDerWaalsContact CE-OD1 3.31Å; K228-D230 WeakPolarHBondContact CE-OD1 3.47Å; K228-D230 WeakPolarHBondContact CE-OD2 3.5Å
231G40Very low40.6Very low81 Ų81151 Ų15184%0.83583%0.826SS**  trans-17890.9177.200000111
232E40Very low40.1Very low187 Ų187150.3 Ų150.387%0.87482%0.818SS**  trans-53.8163.6-175.2-85.5-83.8118.800117.2
233P41.5Very low39.6Very low107 Ų107146.9 Ų146.970%0.69582%0.818SS**  trans-97.4162.6-16838.7-30.1000113.4
234S37.6Very low39.4Very low115 Ų115147.3 Ų147.380%0.80481%0.814SS**  trans-150141.3157.9-157.90000112
235P43.5Very low39.2Very low105 Ų105151.1 Ų151.168%0.68282%0.821SS**  trans-102.8138.5-164.636.5-25.2000111.9
236D40.2Very low38.5Very low161 Ų161146.2 Ų146.286%0.86181%0.81SS**  trans-144.3101.3160.9-82.4-46.8000109.9
237H33.9Very low38.2Very low189 Ų189145.9 Ų145.988%0.87581%0.813SS**  trans-66140.9156.5-99-67.8000108.7
238P41.6Very low37.8Very low111 Ų111143.7 Ų143.772%0.72181%0.806SS**  -133.8125.9126.426.9-11.1000112.8
239R34.3Very low37.7Very low226 Ų226143.5 Ų143.585%0.85381%0.807SS**  trans50.2117132.1-72.3-175164.6-178.1-4.2119.3Q241R239-Q241 PolarHBondContact O-N 2.96Å; R239-Q241 VanDerWaalsContact O-N 3.09Å
240L31.4Very low37.6Very low187 Ų187143 Ų14398%0.97980%0.795SS**  trans-23106.4140.8-70162.8000112.2
241Q34.9Very low37.5Very low166 Ų166145.6 Ų145.678%0.77680%0.8SS**  trans-144.7109163.5-152.4165.411.100109.2R239R239-Q241 PolarHBondContact O-N 2.96Å; R239-Q241 VanDerWaalsContact O-N 3.09Å
242E35.2Very low37.6Very low166 Ų166146.4 Ų146.478%0.77679%0.785SS**  trans31.8105.8153.8-74.8164.4132.600117.9A244E242-A244 PolarHBondContact O-N 3.27Å
243C28.4Very low38Very low137 Ų137145 Ų14593%0.92678%0.783SS**  trans-6281.1154.5-65.50000109.8L245C243-L245 PolarHBondContact O-N 2.78Å
244A34.3Very low38.6Very low89 Ų89150 Ų15074%0.73679%0.788SS**  trans-75.9108.4159.700000107.7E242 A246E242-A244 PolarHBondContact O-N 3.27Å; A244-A246 PolarHBondContact O-N 2.67Å
245L34.7Very low39Very low172 Ų172150.3 Ų150.390%0.90178%0.781SS**  trans-49.8101.8169.4-85.8150000110.2C243 T247C243-L245 PolarHBondContact O-N 2.78Å; L245-T247 PolarHBondContact O-N 3.03Å
246A35.2Very low39.1Very low83 Ų83151 Ų15169%0.68677%0.773SS**  trans-74.2109.216200000107.9A244 H248A244-A246 PolarHBondContact O-N 2.67Å; A246-H248 PolarHBondContact O-N 2.95Å
247T36.2Very low39.3Very low137 Ų137152.2 Ų152.284%0.8477%0.773SS**  trans-59.787.2163.644.30000108.8L245 E249L245-T247 PolarHBondContact O-N 3.03Å; T247-E249 PolarHBondContact O-N 2.74Å
248H45.5Very low39.6Very low166 Ų166147.2 Ų147.277%0.76977%0.765SS**  trans-86.5101.1170.2-133.6-83.4000108.2A246 L250A246-H248 PolarHBondContact O-N 2.95Å; H248-L250 PolarHBondContact O-N 3.12Å; H248-L250 VanDerWaalsContact O-N 3.07Å
249E37.7Very low39.7Very low160 Ų160151 Ų15175%0.74877%0.765SS**  trans-46.1109.6164.2-72.1-94.5124.600109.3T247 K251T247-E249 PolarHBondContact O-N 2.74Å; E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.15Å
250L40.9Very low40Very low125 Ų125143.6 Ų143.665%0.65475%0.747SS**  trans-78.683.7-176-136.8102000109.7H248 D252 F256H248-L250 PolarHBondContact O-N 3.12Å; H248-L250 VanDerWaalsContact O-N 3.07Å; L250-D252 VanDerWaalsContact C-N 3.27Å; L250-D252 PolarHBondContact O-N 3.35Å; L250-D252 VanDerWaalsContact O-N 3.16Å; L250-F256 HydrophobicContact CD2-CD2 4.17Å; L250-F256 HydrophobicContact CD2-CE2 3.91Å
251K41.6Very low40.8Very low188 Ų188140.2 Ų140.282%0.81774%0.736SS**  trans-78.974.2164.1-89.1161.6174.9162.10109.6E249E249-K251 VanDerWaalsContact C-N 3.34Å; E249-K251 PolarHBondContact O-N 3.15Å
252D41.2Very low41.3Very low97 Ų97138.1 Ų138.152%0.51973%0.73SS.*  trans171.6119.4140.9-115.6-44.5000110.1L250 R254L250-D252 VanDerWaalsContact C-N 3.27Å; L250-D252 PolarHBondContact O-N 3.35Å; L250-D252 VanDerWaalsContact O-N 3.16Å; D252-R254 PolarHBondContact O-N 3.1Å; D252-R254 VanDerWaalsContact O-N 3.14Å
253L49.4Very low41.6Very low158 Ų158135.4 Ų135.483%0.82773%0.727SS**THydrogen-bonded Turntrans-74.68.1177.7-91.5111.3000113.7
254R53.3Low42.5Very low212 Ų212136.4 Ų136.480%0.872%0.723SS**THydrogen-bonded Turntrans-92.3-13.9-179.4-63.2-171-150.3-153.84.1114.3D252 F256D252-R254 PolarHBondContact O-N 3.1Å; D252-R254 VanDerWaalsContact O-N 3.14Å; R254-F256 VanDerWaalsContact C-N 3.35Å
255D45.7Very low43.4Very low122 Ų122135.2 Ų135.265%0.65271%0.707SS**G310 helixtrans-88.3-2.5179.3-67.3-31000113.6H257D255-H257 VanDerWaalsContact C-N 3.29Å; D255-H257 PolarHBondContact O-N 3.4Å
256F45.3Very low44.3Very low118 Ų118132.9 Ų132.952%0.51870%0.7SS.*G310 helixtrans-76.1-9.1-179.4-110.1-87.1000115L250 R254 W259L250-F256 HydrophobicContact CD2-CD2 4.17Å; L250-F256 HydrophobicContact CD2-CE2 3.91Å; R254-F256 VanDerWaalsContact C-N 3.35Å; F256-W259 HydrophobicContact CD1-CZ2 4.49Å; F256-W259 AromaticContact CD1-NE1 3.57Å; F256-W259 AromaticContact CE1-CE2 3.92Å; F256-W259 AromaticContact CE1-CZ2 3.78Å; F256-W259 HydrophobicContact CE1-CZ2 3.78Å; F256-W259 AromaticContact CE1-NE1 3.72Å; F256-W259 HydrophobicContact CZ-CZ2 4.2Å; F256-W259 VanDerWaalsContact O-CD1 3.26Å
257H44.6Very low45.3Very low187 Ų187135 Ų13587%0.86670%0.699SS**G310 helixtrans-91.92.4177.5-84.4-72.8000114.5D255D255-H257 VanDerWaalsContact C-N 3.29Å; D255-H257 PolarHBondContact O-N 3.4Å
258A41Very low46Very low84 Ų84133.9 Ų133.969%0.69469%0.686SS**  trans-104.938.5175.900000112.9S260A258-S260 PolarHBondContact O-N 3.31Å
259W42.9Very low46.7Very low192 Ų192130.1 Ų130.173%0.72768%0.683SS**  trans-79.674.1170.6-76.457.4000110F256F256-W259 HydrophobicContact CD1-CZ2 4.49Å; F256-W259 AromaticContact CD1-NE1 3.57Å; F256-W259 AromaticContact CE1-CE2 3.92Å; F256-W259 AromaticContact CE1-CZ2 3.78Å; F256-W259 HydrophobicContact CE1-CZ2 3.78Å; F256-W259 AromaticContact CE1-NE1 3.72Å; F256-W259 HydrophobicContact CZ-CZ2 4.2Å; F256-W259 VanDerWaalsContact O-CD1 3.26Å
260S40.1Very low47.7Very low69 Ų69127.4 Ų127.448%0.48368%0.68SS.*  trans-68.6122.2155.6168.80000107.1A258 L262A258-S260 PolarHBondContact O-N 3.31Å; S260-L262 PolarHBondContact O-N 3.23Å
261P48.2Very low48.9Very low116 Ų116125.1 Ų125.175%0.75367%0.669SS**  trans-66.3100.2174.726.2-29.4000108
262L45.6Very low50.3Low122 Ų122119.9 Ų119.964%0.63965%0.654SS**  trans-57.2130.6165.4-80144.9000107.5S260 N264 T265S260-L262 PolarHBondContact O-N 3.23Å; L262-N264 PolarHBondContact O-N 3.49Å; L262-T265 HydrophobicContact CB-CG2 3.96Å
263P41.4Very low51.8Low109 Ų109122 Ų12271%0.70867%0.672SS**THydrogen-bonded Turntrans-63.4133.4170.729.1-30.1000107
264N47.6Very low53Low159 Ų159118.4 Ų118.485%0.8567%0.674SS**THydrogen-bonded Turntrans91.620.1-179.8-50.3-25.7000118.1L262L262-N264 PolarHBondContact O-N 3.49Å
265T52.4Low53.8Low64 Ų64111.3 Ų111.339%0.39365%0.651SS.*  trans-76.5141.6169.860.70000111.8L262 L267 M268L262-T265 HydrophobicContact CB-CG2 3.96Å; T265-L267 PolarHBondContact O-N 3.43Å; T265-M268 PolarHBondContact O-N 2.83Å; T265-M268 VanDerWaalsContact O-N 3.12Å
266T55.5Low54.7Low123 Ų123109.7 Ų109.776%0.75564%0.643SS**G310 helixtrans-47.2-13.6-171.7-390000116.1M268 A269T266-M268 PolarHBondContact O-N 2.86Å; T266-A269 PolarHBondContact O-N 3.05Å
267L54.5Low55.5Low126 Ų126113.4 Ų113.466%0.6665%0.653SS**G310 helixtrans-64.9-21.9174-68.9173000113.7T265 A269T265-L267 PolarHBondContact O-N 3.43Å; L267-A269 VanDerWaalsContact C-N 3.28Å; L267-A269 PolarHBondContact O-N 2.92Å
268M52.5Low56.4Low115 Ų115111.4 Ų111.457%0.56764%0.642SS**G310 helixtrans-75.8-13.2177.1-64.6-64100.800113.9T265 T266 F281T265-M268 PolarHBondContact O-N 2.83Å; T265-M268 VanDerWaalsContact O-N 3.12Å; T266-M268 PolarHBondContact O-N 2.86Å; M268-F281 HydrophobicContact CE-CZ 4.1Å
269A60Low57.6Low86 Ų86112.7 Ų112.771%0.71164%0.641SS**G310 helixtrans-88.8-5.5-178.600000113.8T266 L267T266-A269 PolarHBondContact O-N 3.05Å; L267-A269 VanDerWaalsContact C-N 3.28Å; L267-A269 PolarHBondContact O-N 2.92Å
270C59.2Low58.4Low103 Ų103110.1 Ų110.170%0.69664%0.635SS**G310 helixtrans-98.19.3-175.2-59.90000114.5
271L66.1Low59.4Low78 Ų78110.7 Ų110.741%0.40863%0.629SS.*SBendtrans-89.9126.8178.2-69.4174.3000111.2
272P69.9Low60.4Low78 Ų78108.9 Ų108.951%0.50662%0.617SS.*PPolyproline II helixtrans-51145.2172.5-27.130.3000113.1G274 I275P272-G274 PolarHBondContact O-N 3.43Å; P272-I275 HydrophobicContact CB-CD1 4.11Å; P272-I275 HydrophobicContact CG-CD1 3.92Å
273P73.5Confident61.2Low140 Ų140107.6 Ų107.691%0.90962%0.616SS**THydrogen-bonded Turntrans-55.7128.2169.9-18.929.7000110.3
274G74.2Confident62.3Low84 Ų84107.2 Ų107.287%0.86662%0.617SS**THydrogen-bonded Turntrans106.8-1.2175.400000116.5P272P272-G274 PolarHBondContact O-N 3.43Å
275I69.2Low62.9Low62 Ų62102.6 Ų102.632%0.31860%0.6SS.*  trans-85.9118174.5-60.2177.4000110P272 R277 F280P272-I275 HydrophobicContact CB-CD1 4.11Å; P272-I275 HydrophobicContact CG-CD1 3.92Å; I275-R277 PolarHBondContact O-N 2.92Å; I275-F280 HydrophobicContact CG2-CD2 3.64Å; I275-F280 HydrophobicContact CG2-CE2 3.66Å
276D65.7Low63.1Low88 Ų88105.8 Ų105.847%0.47161%0.605SS.*  trans-66.4115.4173-172-4.5000109.8K278 V279D276-K278 PolarHBondContact O-N 3.06Å; D276-K278 WeakPolarHBondContact OD1-CB 3.44Å; D276-K278 WeakPolarHBondContact OD1-CG 3.48Å; D276-K278 PolarHBondContact OD1-N 2.93Å; D276-V279 HydrophobicContact CB-CG2 4.14Å; D276-V279 PolarHBondContact O-N 3.34Å
277R62.2Low63Low197 Ų197107.6 Ų107.674%0.74361%0.605SS**THydrogen-bonded Turntrans-58-13.3177.9-61175.7-178.4151.9-0.3112.6I275I275-R277 PolarHBondContact O-N 2.92Å
278K63.3Low62.5Low144 Ų144105 Ų10563%0.62661%0.608SS**THydrogen-bonded Turntrans-77.9-18.2177.7-64.7176.5-177.5177.90114.6D276 W286D276-K278 PolarHBondContact O-N 3.06Å; D276-K278 WeakPolarHBondContact OD1-CB 3.44Å; D276-K278 WeakPolarHBondContact OD1-CG 3.48Å; D276-K278 PolarHBondContact OD1-N 2.93Å; K278-W286 HydrophobicContact CB-CH2 4Å; K278-W286 HydrophobicContact CB-CZ2 4.16Å; K278-W286 HydrophobicContact CG-CH2 3.97Å; K278-W286 HydrophobicContact CG-CZ2 4.18Å
279V65.6Low62Low112 Ų112110.2 Ų110.268%0.67962%0.621SS**THydrogen-bonded Turntrans-91.6-22.9-173-175.50000112.2D276D276-V279 HydrophobicContact CB-CG2 4.14Å; D276-V279 PolarHBondContact O-N 3.34Å
280F60.8Low61.4Low137 Ų137115 Ų11560%0.60163%0.629SS**SBendtrans-103.3-7.9-169.8-86.3-84.9000116I275I275-F280 HydrophobicContact CG2-CD2 3.64Å; I275-F280 HydrophobicContact CG2-CE2 3.66Å
281F60Low60.7Low81 Ų81115.2 Ų115.236%0.35564%0.639SS.*SBendtrans-125129.2-176.8-67.5-79.3000111.6M268 A285M268-F281 HydrophobicContact CE-CZ 4.1Å; F281-A285 HydrophobicContact CB-CB 4.13Å; F281-A285 HydrophobicContact CD1-CB 4.36Å
282P68.4Low59.7Low78 Ų78115 Ų11551%0.50666%0.655SS.*  trans-59.6148.917225.4-32.4000109.6S284 A285P282-S284 PolarHBondContact O-N 3.01Å; P282-A285 PolarHBondContact O-N 3.03Å
283P63.9Low58.4Low95 Ų95116 Ų11662%0.61767%0.67SS**G310 helixtrans-54-15.8-178.5-2733.8000115.1A285 W286P283-A285 VanDerWaalsContact C-N 3.26Å; P283-A285 PolarHBondContact O-N 3.14Å; P283-W286 PolarHBondContact O-N 3.29Å
284S62.8Low57.2Low102 Ų102115.1 Ų115.171%0.71366%0.662SS**G310 helixtrans-67.1-19.4173.743.80000114.3P282P282-S284 PolarHBondContact O-N 3.01Å
285A60.2Low56Low61 Ų61121.6 Ų121.650%0.50467%0.666SS.*G310 helixtrans-89.6-2.4179.200000114F281 P282 P283F281-A285 HydrophobicContact CB-CB 4.13Å; F281-A285 HydrophobicContact CD1-CB 4.36Å; P282-A285 PolarHBondContact O-N 3.03Å; P283-A285 VanDerWaalsContact C-N 3.26Å; P283-A285 PolarHBondContact O-N 3.14Å
286W57.2Low55.1Low132 Ų132123.4 Ų123.450%0.569%0.685SS.*  trans-979.6-172.3-68.8-6.1000115.6K278 P283K278-W286 HydrophobicContact CB-CH2 4Å; K278-W286 HydrophobicContact CB-CZ2 4.16Å; K278-W286 HydrophobicContact CG-CH2 3.97Å; K278-W286 HydrophobicContact CG-CZ2 4.18Å; P283-W286 PolarHBondContact O-N 3.29Å
287H54.2Low54.5Low161 Ų161128.3 Ų128.375%0.74570%0.702SS**  trans-111.490.8-179-63.581.6000110R289H287-R289 PolarHBondContact O-N 3.4Å
288G43.7Very low54.2Low70 Ų70131 Ų13172%0.72271%0.712SS**  trans-52.2130.6156.900000108.9E290G288-E290 PolarHBondContact O-N 3.4Å
289R42.1Very low54Low226 Ų226134.6 Ų134.685%0.85372%0.721SS**  trans-63.197178.5-87.7-154.4-93.8-111.51.4110.1H287H287-R289 PolarHBondContact O-N 3.4Å
290E46.9Very low53.8Low185 Ų185134.4 Ų134.486%0.86473%0.725SS**  trans-103.898152.3-60.3-159.9-150.600107.5G288 G292G288-E290 PolarHBondContact O-N 3.4Å; E290-G292 PolarHBondContact O-N 3.32Å
291A45.4Very low53.8Low109 Ų109131.8 Ų131.890%0.90172%0.718SS**THydrogen-bonded Turntrans-62.3112.517100000108.7
292G44.5Very low54.2Low73 Ų73132.6 Ų132.675%0.75373%0.731SS**THydrogen-bonded Turntrans154.7-9170.200000118.3E290 T294E290-G292 PolarHBondContact O-N 3.32Å; G292-T294 PolarHBondContact O-N 2.85Å; G292-T294 VanDerWaalsContact O-N 3.12Å
293A43.6Very low53.7Low99 Ų99135 Ų13582%0.81874%0.735SS**  trans-85.296.9-178.600000111.8
294T47.7Very low53.4Low122 Ų122136 Ų13675%0.74873%0.734SS**  trans-24.9130.1166.946.10000114.8G292 S296G292-T294 PolarHBondContact O-N 2.85Å; G292-T294 VanDerWaalsContact O-N 3.12Å; T294-S296 PolarHBondContact O-N 2.99Å
295K49.3Very low53.3Low220 Ų220138 Ų13896%0.95773%0.733SS**  trans-55.580.4167.5-64.7173.7178.1176.50110.7
296S49.4Very low53.5Low100 Ų100143.8 Ų143.870%0.69975%0.746SS**  trans-83.2122.5169.665.30000108.6T294 R298T294-S296 PolarHBondContact O-N 2.99Å; S296-R298 PolarHBondContact O-N 3.2Å
297K52.9Low53.9Low190 Ų190146.7 Ų146.783%0.82676%0.758SS**  trans-39.2109.9172.3-89.4166.3165.2166.90110.2R299K297-R299 PolarHBondContact O-N 2.97Å
298R57Low54.4Low253 Ų253148.6 Ų148.696%0.95576%0.758SS**  trans-65.178.9158.6-77.4-174.2170.4-170.8-2.2107.6S296 S300S296-R298 PolarHBondContact O-N 3.2Å; R298-S300 PolarHBondContact O-N 2.84Å
299R58.6Low55.7Low220 Ų220150.9 Ų150.983%0.8375%0.752SS**  trans-54.7126.8163.2-78.4-177.5172.5-172.5-1.7106.1K297 N301K297-R299 PolarHBondContact O-N 2.97Å; R299-N301 PolarHBondContact O-N 3.28Å
300S61.8Low56.8Low109 Ų109148.6 Ų148.676%0.76275%0.751SS**  trans-48.8129.2171.255.80000108.3R298 P302R298-S300 PolarHBondContact O-N 2.84Å; S300-P302 WeakPolarHBondContact O-CD 3.34Å
301N60.9Low57Low82 Ų82147.4 Ų147.444%0.43974%0.744SS.*  trans-88.4100.1173.5-177.9-7.4000107.1R299 E303 L304R299-N301 PolarHBondContact O-N 3.28Å; N301-E303 PolarHBondContact O-N 3.16Å; N301-E303 WeakPolarHBondContact OD1-CB 3.31Å; N301-E303 PolarHBondContact OD1-N 3.37Å; N301-L304 HydrophobicContact CB-CB 4.5Å; N301-L304 HydrophobicContact CB-CD1 4.11Å; N301-L304 WeakPolarHBondContact ND2-CD1 3.33Å; N301-L304 PolarHBondContact O-N 2.96Å
302P67.6Low57.6Low97 Ų97147.7 Ų147.763%0.6374%0.738SS**THydrogen-bonded Turntrans-64-10.7179.427.8-36.1000113.1S300S300-P302 WeakPolarHBondContact O-CD 3.34Å
303E58.7Low58.1Low129 Ų129151.1 Ų151.160%0.60374%0.738SS**THydrogen-bonded Turntrans-82-25.3178.3-140.6-160.5-169.100113.2N301N301-E303 PolarHBondContact O-N 3.16Å; N301-E303 WeakPolarHBondContact OD1-CB 3.31Å; N301-E303 PolarHBondContact OD1-N 3.37Å
304L57.6Low58.2Low115 Ų115155.5 Ų155.560%0.60274%0.735SS**THydrogen-bonded Turntrans-81.6-22.1179.2-82165.3000113.4N301 K306N301-L304 HydrophobicContact CB-CB 4.5Å; N301-L304 HydrophobicContact CB-CD1 4.11Å; N301-L304 WeakPolarHBondContact ND2-CD1 3.33Å; N301-L304 PolarHBondContact O-N 2.96Å; L304-K306 VanDerWaalsContact C-N 3.31Å
305E60Low58.6Low146 Ų146155.5 Ų155.568%0.68274%0.737SS**G310 helixtrans-72.2-25.8175.2-150.980.6-142.800111.9R307E305-R307 VanDerWaalsContact C-N 3.32Å; E305-R307 PolarHBondContact O-N 2.77Å
306K64.3Low58.6Low181 Ų181148.1 Ų148.179%0.78772%0.724SS**G310 helixtrans-74.5-15-177.9-72.1-176.9178.7179.30114.5L304L304-K306 VanDerWaalsContact C-N 3.31Å
307R65Low58.3Low194 Ų194150.4 Ų150.473%0.73273%0.728SS**G310 helixtrans-97.57-178.2-63.3-170.9-173.6-157.72.5114.5E305E305-R307 VanDerWaalsContact C-N 3.32Å; E305-R307 PolarHBondContact O-N 2.77Å
308R64.9Low57.6Low200 Ų200148.4 Ų148.476%0.75573%0.732SS**SBendtrans-104.74-172.1-82.4-175.5162.9-146-5.7116.1
309I71.7Confident57Low118 Ų118144.5 Ų144.561%0.60572%0.724SS**  trans-11982.9-179.3-43.4177.1000109.1F311I309-F311 HydrophobicContact CB-CE2 4.38Å; I309-F311 HydrophobicContact CG2-CD2 3.85Å; I309-F311 HydrophobicContact CG2-CE1 4.22Å; I309-F311 HydrophobicContact CG2-CE2 3.44Å; I309-F311 VanDerWaalsContact CG2-CE2 3.44Å; I309-F311 HydrophobicContact CG2-CG 4.4Å; I309-F311 HydrophobicContact CG2-CZ 3.65Å
310H64.8Low56.2Low178 Ų178145.8 Ų145.882%0.82473%0.729SS**  trans-82.7108.2158.1-75.1-82.3000107.1C312H310-C312 PolarHBondContact O-N 3.12Å
311F51.5Low55.5Low161 Ų161146.4 Ų146.471%0.70672%0.723SS**  trans-66.9113.2167-70.2-87.3000107.6I309 D313I309-F311 HydrophobicContact CB-CE2 4.38Å; I309-F311 HydrophobicContact CG2-CD2 3.85Å; I309-F311 HydrophobicContact CG2-CE1 4.22Å; I309-F311 HydrophobicContact CG2-CE2 3.44Å; I309-F311 VanDerWaalsContact CG2-CE2 3.44Å; I309-F311 HydrophobicContact CG2-CG 4.4Å; I309-F311 HydrophobicContact CG2-CZ 3.65Å; F311-D313 VanDerWaalsContact C-N 3.33Å; F311-D313 PolarHBondContact O-N 3.07Å
312C58.5Low54.6Low115 Ų115151.5 Ų151.578%0.77774%0.744SS**  trans-79.790.8165.5-165.20000106.4H310 Y314H310-C312 PolarHBondContact O-N 3.12Å; C312-Y314 PolarHBondContact O-N 3.31Å
313D54.3Low53.5Low144 Ų144156.3 Ų156.377%0.7775%0.75SS**  trans-75.777.9171.7-71.3-32.9000108.6F311 P315F311-D313 VanDerWaalsContact C-N 3.33Å; F311-D313 PolarHBondContact O-N 3.07Å; D313-P315 WeakPolarHBondContact O-CD 3.34Å
314Y44.9Very low52.8Low192 Ų192157.7 Ų157.775%0.75376%0.76SS**  trans-87.4114.1167.9-149.4-89.3000108.2C312 G316C312-Y314 PolarHBondContact O-N 3.31Å; Y314-G316 PolarHBondContact O-N 3.38Å
315P56Low52Low122 Ų122161.2 Ų161.279%0.79277%0.771SS**THydrogen-bonded Turntrans-69.9103.3176.628.7-31.4000108.1D313D313-P315 WeakPolarHBondContact O-CD 3.34Å
316G49.8Very low51.4Low65 Ų65159.9 Ų159.967%0.6777%0.773SS**THydrogen-bonded Turntrans150.9-1.1173.500000118.2Y314Y314-G316 PolarHBondContact O-N 3.38Å
317N42.9Very low50Low147 Ų147156.8 Ų156.879%0.78677%0.774SS**  trans-142.195.3174.4-94.8-32.4000112.3Q319N317-Q319 PolarHBondContact O-N 3.45Å
318T39.3Very low49Very low149 Ų149156 Ų15691%0.91478%0.778SS**  trans-78.159.317243.60000111.3
319Q45Very low47.7Very low170 Ų170152.1 Ų152.179%0.79478%0.777SS**SBendtrans-137.3122.3163.7-72.6-168.712.400110.8N317 I321N317-Q319 PolarHBondContact O-N 3.45Å; Q319-I321 PolarHBondContact O-N 3.27Å
320R39.8Very low46Very low247 Ų247152.2 Ų152.293%0.93279%0.787SS**  trans-54.7105.9-179.6-70.1177178.9-178.50.5110.8
321I48.9Very low44.7Very low122 Ų122153.7 Ų153.763%0.62679%0.786SS**  trans-111.889.4162.3-59.9179.8000107.5Q319 R323Q319-I321 PolarHBondContact O-N 3.27Å; I321-R323 HydrophobicContact CG2-CB 3.93Å; I321-R323 HydrophobicContact CG2-CG 3.47Å; I321-R323 VanDerWaalsContact CG2-CG 3.47Å; I321-R323 PolarHBondContact O-N 2.86Å
322Q40.9Very low44.3Very low190 Ų190150 Ų15089%0.88879%0.786SS**  trans-73.183158.5-74.5-177-22.100107.4L324Q322-L324 PolarHBondContact O-N 3.29Å
323R45.7Very low43.4Very low198 Ų198151 Ų15175%0.74779%0.792SS**  trans-84.5103.7170-99.8173.4-171-175.23.4108.7I321 F325I321-R323 HydrophobicContact CG2-CB 3.93Å; I321-R323 HydrophobicContact CG2-CG 3.47Å; I321-R323 VanDerWaalsContact CG2-CG 3.47Å; I321-R323 PolarHBondContact O-N 2.86Å; R323-F325 PolarHBondContact O-N 3.3Å; R323-F325 VanDerWaalsContact O-N 3.14Å
324L42.7Very low42.5Very low157 Ų157155 Ų15582%0.82280%0.797SS**  trans-51.9112.2159.5-84.4119.2000108.8Q322 V326Q322-L324 PolarHBondContact O-N 3.29Å; L324-V326 VanDerWaalsContact C-N 3.27Å; L324-V326 PolarHBondContact O-N 2.95Å
325F42Very low42.6Very low189 Ų189152.6 Ų152.683%0.82980%0.802SS**  trans-72.485.9166.6-101-96.5000108.8R323R323-F325 PolarHBondContact O-N 3.3Å; R323-F325 VanDerWaalsContact O-N 3.14Å
326V46Very low41.7Very low119 Ų119161.2 Ų161.272%0.72182%0.821SS**  trans-89.3129151.9177.60000106.1L324 Q328L324-V326 VanDerWaalsContact C-N 3.27Å; L324-V326 PolarHBondContact O-N 2.95Å; V326-Q328 PolarHBondContact O-N 3.37Å
327S36.2Very low41.3Very low116 Ų116166.1 Ų166.181%0.81183%0.828SS**SBendtrans-42.7102.2-178-169.90000112.6
328Q42.1Very low41.2Very low176 Ų176167.1 Ų167.182%0.82283%0.83SS**  trans-147118.8158.9-142.1158.39.100108V326 C330V326-Q328 PolarHBondContact O-N 3.37Å; Q328-C330 PolarHBondContact O-N 2.8Å
329V38.5Very low41.3Very low120 Ų120168.1 Ų168.173%0.72783%0.826SS**  trans-53.9103.5179.6172.60000109.3Y331V329-Y331 VanDerWaalsContact C-N 3.32Å; V329-Y331 HydrophobicContact CG1-CD2 3.6Å; V329-Y331 HydrophobicContact CG1-CE2 4.35Å; V329-Y331 PolarHBondContact O-N 3.24Å; V329-Y331 VanDerWaalsContact O-N 3.1Å
330C36.4Very low41.1Very low120 Ų120167.9 Ų167.981%0.81183%0.828SS**  trans-79.983167.2-87.20000109.3Q328 A332Q328-C330 PolarHBondContact O-N 2.8Å; C330-A332 VanDerWaalsContact C-N 3.27Å; C330-A332 PolarHBondContact O-N 3.09Å; C330-A332 VanDerWaalsContact O-N 3.15Å
331Y37.3Very low41.2Very low208 Ų208163 Ų16382%0.81682%0.821SS**  trans-74.981.4157.7-113.9-100.6000107.9V329V329-Y331 VanDerWaalsContact C-N 3.32Å; V329-Y331 HydrophobicContact CG1-CD2 3.6Å; V329-Y331 HydrophobicContact CG1-CE2 4.35Å; V329-Y331 PolarHBondContact O-N 3.24Å; V329-Y331 VanDerWaalsContact O-N 3.1Å
332A43.1Very low40.7Very low85 Ų85165.7 Ų165.770%0.70283%0.834SS**  trans-153.217.7176.300000115C330C330-A332 VanDerWaalsContact C-N 3.27Å; C330-A332 PolarHBondContact O-N 3.09Å; C330-A332 VanDerWaalsContact O-N 3.15Å
333C39.1Very low40.7Very low134 Ų134164 Ų16491%0.90583%0.83SS**  trans-123.875.7170.2-70.50000109.4
334R37Very low40.3Very low230 Ų230161.4 Ų161.487%0.86884%0.837SS**  trans-130.776165.3-151.6175.8-167.7172.22.8107.1
335V46.3Very low40.1Very low141 Ų141161.8 Ų161.886%0.85584%0.838SS**  trans-119.6104.8164.9179.30000105
336Y36.9Very low39.9Very low303 Ų303159.3 Ų159.3100%1.18884%0.839SS**  trans-125.90157.5-100.9-74.8000106.2

Retrieved 336 of 336 residues in 90.5 ms (Link to these results)