A0A077YXL7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YXL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 714 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
1M38.8Very low35.7Very low240 Ų240153.9 Ų153.9100%1.18283%0.827SS**  0106.40-105.9173.8163.200107.9I3M1-I3 PolarHBondContact O-N 3.17Å
2A34Very low36.3Very low92 Ų92152.4 Ų152.476%0.7682%0.818SS**  trans-81.5103178.600000108.9Y4A2-Y4 PolarHBondContact O-N 3.04Å
3I37Very low36.9Very low161 Ų161154.6 Ų154.683%0.82682%0.815SS**  trans-79.6105.2170.9-60.3175.3000106.3M1 A5M1-I3 PolarHBondContact O-N 3.17Å; I3-A5 PolarHBondContact O-N 3.06Å
4Y32.3Very low36.9Very low207 Ų207149.8 Ų149.881%0.81280%0.801SS**  trans-60.1103.2170.2-86.4-92.7000109.3A2 F6A2-Y4 PolarHBondContact O-N 3.04Å; Y4-F6 PolarHBondContact O-N 3.33Å
5A34.2Very low37.1Very low93 Ų93147.6 Ų147.677%0.76979%0.788SS**  trans-71.5110.2168.800000108.9I3I3-A5 PolarHBondContact O-N 3.06Å
6F32.5Very low37.4Very low190 Ų190145.8 Ų145.883%0.83378%0.777SS**PPolyproline II helixtrans-62.8138166.7-90-94.9000109.6Y4 A8Y4-F6 PolarHBondContact O-N 3.33Å; F6-A8 PolarHBondContact O-N 3.41Å
7P34Very low37.9Very low118 Ų118144.2 Ų144.277%0.76677%0.768SS**PPolyproline II helixtrans-66.6117.7178.825.2-31.5000110.4R9P7-R9 PolarHBondContact O-N 2.96Å
8A39.4Very low37.6Very low95 Ų95147.3 Ų147.379%0.78577%0.767SS**PPolyproline II helixtrans-58.4127.8174.600000110.4F6 L10F6-A8 PolarHBondContact O-N 3.41Å; A8-L10 PolarHBondContact O-N 3.27Å
9R36.3Very low37.7Very low245 Ų245146.9 Ų146.993%0.92576%0.761SS**  trans-62.7115.1172.8-70.7175.7171.9173.1-3.9108.8P7P7-R9 PolarHBondContact O-N 2.96Å
10L37.1Very low37.6Very low154 Ų154149.8 Ų149.881%0.80676%0.762SS**  trans-60.7129.3168.5-72.3167.6000109.1A8 L12A8-L10 PolarHBondContact O-N 3.27Å; L10-L12 PolarHBondContact O-N 3.2Å
11P37.7Very low37.8Very low98 Ų98149.6 Ų149.664%0.63676%0.758SS**  trans-68.5130.7178.724.9-31.2000110.8K13P11-K13 PolarHBondContact O-N 2.91Å
12L43Very low37.9Very low136 Ų136144.5 Ų144.571%0.71274%0.735SS**THydrogen-bonded Turntrans-60.212.1-176.8-74.6163.5000116.2L10 L15L10-L12 PolarHBondContact O-N 3.2Å; L12-L15 HydrophobicContact CD2-CD2 4.24Å
13K43.4Very low38.3Very low181 Ų181145.1 Ų145.179%0.78773%0.729SS**THydrogen-bonded Turntrans-76.6-21.6176.1-70.5-175.4178.4179.40113.1P11P11-K13 PolarHBondContact O-N 2.91Å
14S37.3Very low38.4Very low87 Ų87141.1 Ų141.161%0.60872%0.72SS**THydrogen-bonded Turntrans-81.1-15.717654.40000113.9
15L39.3Very low38.6Very low117 Ų117139.3 Ų139.361%0.61372%0.719SS**THydrogen-bonded Turntrans-79.1-27.4179.2-153.875.5000112.4L12 I17 W18L12-L15 HydrophobicContact CD2-CD2 4.24Å; L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 3.49Å; L15-W18 PolarHBondContact O-N 3.31Å
16L42.1Very low38.8Very low118 Ų118143.8 Ų143.862%0.61872%0.721SS**THydrogen-bonded Turntrans-78.9-10.1-176.8-88154.8000114.9
17I45.8Very low39Very low119 Ų119141.4 Ų141.461%0.6172%0.717SS**THydrogen-bonded Turntrans-84.5-27.1175.5-60.9175.5000110.6L15L15-I17 VanDerWaalsContact C-N 3.34Å; L15-I17 PolarHBondContact O-N 3.49Å
18W32.9Very low39Very low200 Ų200142.3 Ų142.376%0.75872%0.715SS**Hα-helixtrans-77.7-22.9-177.6-114.861.6000114.4L15L15-W18 PolarHBondContact O-N 3.31Å
19E38.9Very low38.7Very low140 Ų140148.7 Ų148.765%0.65472%0.721SS**Hα-helixtrans-83.1-19.1179-76.3-171.8153.300114
20R36.5Very low38.5Very low205 Ų205143.9 Ų143.977%0.77472%0.719SS**Hα-helixtrans-80.5-24.2-179.2-84.4-173.5173.4160.8-0.6114.3
21E41.1Very low38.1Very low146 Ų146139.8 Ų139.868%0.68271%0.714SS**Hα-helixtrans-78-26.1180-74.3-177.8163.200113T23E21-T23 PolarHBondContact O-N 3.37Å
22L40.9Very low37.6Very low133 Ų133146.1 Ų146.170%0.69673%0.725SS**SBendtrans-80.3-13.2-179-79.7165.9000114.8
23T42.3Very low37Very low105 Ų105145.4 Ų145.464%0.64473%0.726SS**SBendtrans-100.7-8.8179.947.60000113.8E21E21-T23 PolarHBondContact O-N 3.37Å
24A40.5Very low36.1Very low77 Ų77143.9 Ų143.964%0.63673%0.727SS**SBendtrans-88.3-13.317800000114.2
25E35.9Very low35.9Very low169 Ų169147.2 Ų147.279%0.7974%0.737SS**SBendtrans-90.8-6.2-175.5-149.5178.4-172.600114
26K39Very low35.3Very low187 Ų187149.9 Ų149.981%0.81375%0.746SS**SBendtrans-97.4-3.7-170.9-120.7177.7-178.2177.80116.8
27D36.6Very low34.4Very low140 Ų140154.7 Ų154.775%0.74976%0.756SS**SBendtrans-10714.6-174.1-76.3-12.8000115.5
28N32.4Very low33.4Very low136 Ų136154.7 Ų154.773%0.72776%0.764SS**  trans-114.134.1-179.4-81.3-27000116
29Y34Very low33.2Very low230 Ų230150.6 Ų150.690%0.90276%0.76SS**  trans-136.458.8165.4-75.5-79.2000112.9G31Y29-G31 VanDerWaalsContact C-N 3.29Å; Y29-G31 PolarHBondContact O-N 3.16Å
30T32.5Very low32.8Very low143 Ų143149.7 Ų149.788%0.87776%0.764SS**  trans-8079.8152.348.20000109.5
31G29Very low32.5Very low68 Ų68148.9 Ų148.970%0.70177%0.766SS**  trans-100.1102.7167.700000109.9Y29 V33Y29-G31 VanDerWaalsContact C-N 3.29Å; Y29-G31 PolarHBondContact O-N 3.16Å; G31-V33 PolarHBondContact O-N 2.97Å
32R25.5Very low32.1Very low231 Ų231146.6 Ų146.687%0.87277%0.766SS**  trans-55.9123.7175.2-67.7178.4178-166.5-0.3111.2
33V30.9Very low31.8Very low121 Ų121150.3 Ų150.373%0.73378%0.777SS**  trans-134.293.1149.3-176.30000107.6G31 L35G31-V33 PolarHBondContact O-N 2.97Å; V33-L35 HydrophobicContact CG1-CD1 3.77Å; V33-L35 HydrophobicContact CG1-CG 4.36Å; V33-L35 PolarHBondContact O-N 3.3Å
34N25.7Very low31.3Very low150 Ų150153.6 Ų153.680%0.80279%0.785SS**  trans-75.3107.1161.2-80.5-33.2000107.1
35L33Very low30.9Very low156 Ų156159.3 Ų159.382%0.81780%0.799SS**  trans-113.397.6161-101.2147.6000107.3V33V33-L35 HydrophobicContact CG1-CD1 3.77Å; V33-L35 HydrophobicContact CG1-CG 4.36Å; V33-L35 PolarHBondContact O-N 3.3Å
36E25.1Very low30.7Very low174 Ų174159.8 Ų159.881%0.81380%0.801SS**  trans-64133168.2-68.5-173.8130.800110.5
37R23.6Very low30.6Very low219 Ų219157 Ų15783%0.82680%0.799SS**  trans46.5137138.7-77.6-175-175.11715.4119.7
38P25.2Very low30.4Very low119 Ų119161.6 Ų161.677%0.77381%0.806SS**  -138.8142.265.331.8-12.4000116.3V40P38-V40 PolarHBondContact O-N 3.29Å
39V28.5Very low30.5Very low113 Ų113163 Ų16369%0.68581%0.813SS**  trans-77.7101.9169.6175.30000108K41V39-K41 HydrophobicContact CG1-CG 4.2Å; V39-K41 PolarHBondContact O-N 3.43Å
40V31.7Very low30.3Very low121 Ų121156.7 Ų156.773%0.73380%0.803SS**  trans-80.3106.8166.3178.40000107.7P38 S42P38-V40 PolarHBondContact O-N 3.29Å; V40-S42 PolarHBondContact O-N 3.19Å
41K29.6Very low30.4Very low189 Ų189158 Ų15882%0.82281%0.805SS**  trans-78.995166.3-67.5178.5178.1178.40107.8V39V39-K41 HydrophobicContact CG1-CG 4.2Å; V39-K41 PolarHBondContact O-N 3.43Å
42S33.1Very low30.5Very low97 Ų97162.6 Ų162.668%0.67881%0.813SS**  trans-88.6137.1170.649.20000110.9V40 E44V40-S42 PolarHBondContact O-N 3.19Å; S42-E44 PolarHBondContact O-N 2.99Å; S42-E44 VanDerWaalsContact O-N 3.13Å
43K33.2Very low30.5Very low212 Ų212162.1 Ų162.192%0.92281%0.811SS**SBendtrans-69.290-173.5-67.7169.8169179.20112.7
44E32.6Very low30.4Very low173 Ų173164 Ų16481%0.80881%0.812SS**  trans-124.8-1170.2-117.4173.1176.100114.1S42S42-E44 PolarHBondContact O-N 2.99Å; S42-E44 VanDerWaalsContact O-N 3.13Å
45E31.3Very low30.7Very low198 Ų198167.9 Ų167.993%0.92582%0.815SS**SBendtrans-97.58.2-173.3-144.6174.3-176.100114.9
46E32.6Very low30.5Very low179 Ų179167.3 Ų167.384%0.83681%0.813SS**SBendtrans-117.37.8-172.6-140.1173.1-16500116.5
47V35.8Very low30.9Very low128 Ų128165.3 Ų165.378%0.77681%0.807SS**SBendtrans-108.8-0.6-176.1-174.90000114.7
48W32.8Very low31Very low237 Ų237160.8 Ų160.890%0.89880%0.804SS**SBendtrans-10010.1-177.2-74.293.6000116.2
49N34.9Very low31.5Very low164 Ų164162.4 Ų162.488%0.87780%0.804SS**SBendtrans-115.416.5-178.9-85.1-27.8000115.9
50S30.6Very low31.4Very low99 Ų99165.7 Ų165.769%0.69281%0.809SS**SBendtrans-13956.2-174.7-550000113.6
51D34.2Very low31Very low170 Ų170171.2 Ų171.291%0.90982%0.817SS**  trans-155.246.8164.5-97.2-25.6000112.9
52N29.9Very low30.9Very low164 Ų164171 Ų17188%0.87782%0.819SS**  trans-126.151.4178.3-137.310000111.6
53R27Very low30.6Very low222 Ų222171.5 Ų171.584%0.83882%0.82SS**SBendtrans-149.3129.8163.7-62-170.1-169.7-176.15.1110.6
54H28.4Very low30.5Very low161 Ų161167.3 Ų167.375%0.74582%0.817SS**  trans81.579165.6-54.4-64.6000118.8
55R31.5Very low30.3Very low230 Ų230166.1 Ų166.187%0.86882%0.815SS**  trans-137.972.5132.3-74-161.6177.6166.31110.3L57R55-L57 PolarHBondContact O-N 3.41Å
56D28.3Very low30.2Very low144 Ų144160.4 Ų160.477%0.7780%0.797SS**  trans-69.677.6156-72.2-44000108.6V58D56-V58 VanDerWaalsContact C-N 3.32Å; D56-V58 PolarHBondContact O-N 3.38Å
57L34Very low30Very low133 Ų133160.2 Ų160.270%0.69680%0.795SS**  trans-86.383.3166.2-92.5158.1000108.5R55 I59R55-L57 PolarHBondContact O-N 3.41Å; L57-I59 VanDerWaalsContact C-N 3.3Å; L57-I59 PolarHBondContact O-N 3.29Å
58V26Very low29.7Very low124 Ų124162 Ų16275%0.75280%0.801SS**  trans-67.187.7164.8178.80000108.1D56 K60D56-V58 VanDerWaalsContact C-N 3.32Å; D56-V58 PolarHBondContact O-N 3.38Å; V58-K60 PolarHBondContact O-N 3.31Å
59I35.2Very low29.6Very low152 Ų152161.3 Ų161.378%0.77980%0.798SS**  trans-87.3105.5165-61.5179.8000108L57L57-I59 VanDerWaalsContact C-N 3.3Å; L57-I59 PolarHBondContact O-N 3.29Å
60K27.3Very low29.6Very low182 Ų182158.9 Ų158.979%0.79179%0.791SS**  trans-58.3132.1171.2-99.2171169.7173.60111.6V58V58-K60 PolarHBondContact O-N 3.31Å
61R23.4Very low29.8Very low238 Ų238159.4 Ų159.490%0.89879%0.79SS**  trans5.3135.5148.2-63.3178.9172.4157.8-1.7118.7
62Q27.5Very low29.7Very low184 Ų184154.1 Ų154.186%0.8677%0.767SS**  -157.5132.5122.1-94.8-85.8-1800108.7
63P25.9Very low30.1Very low108 Ų108153.6 Ų153.670%0.70176%0.759SS**  trans-92.9110.5-173.433.9-27.5000111.5
64S31.3Very low30.7Very low123 Ų123151.3 Ų151.386%0.8676%0.755SS**  trans-89.9112.3166.9570000110.1
65I28.7Very low31Very low148 Ų148146.8 Ų146.876%0.75974%0.741SS**  trans-68.7136.6177.1-67.8158.6000110.3
66S28.3Very low31.5Very low79 Ų79139.9 Ų139.955%0.55273%0.725SS**  trans36.4121158.970.70000118.6
67H29Very low32.3Very low174 Ų174137.7 Ų137.781%0.80672%0.717SS**  -155.171.477.1-70.8-56.8000111.8R69H67-R69 VanDerWaalsContact C-N 3.26Å; H67-R69 PolarHBondContact O-N 3.23Å
68N30Very low32.7Very low167 Ų167134.3 Ų134.389%0.89370%0.704SS**  trans-82.581.3163.9-74.9-18.6000108.8P70N68-P70 WeakPolarHBondContact O-CD 3.48Å
69R29.4Very low33.4Very low221 Ų221134.6 Ų134.683%0.83470%0.697SS**  trans-55.6122.6151.7-167.1179.1-164.1-1744.9104.8H67 V71H67-R69 VanDerWaalsContact C-N 3.26Å; H67-R69 PolarHBondContact O-N 3.23Å; R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 3.47Å
70P35.1Very low33.9Very low113 Ų113133.2 Ų133.273%0.73469%0.691SS**  trans-60104.2175.822.9-30.3000106.5N68 S72N68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-S72 PolarHBondContact O-N 3.41Å
71V35Very low34.8Very low111 Ų111125.4 Ų125.467%0.67366%0.659SS**  trans-65.388.2160.9177.40000103.2R69 H73R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 3.47Å; V71-H73 PolarHBondContact O-CD2 3.43Å; V71-H73 VanDerWaalsContact O-CD2 3.27Å; V71-H73 PolarHBondContact O-N 3.31Å
72S31.7Very low35.7Very low59 Ų59124.5 Ų124.541%0.41366%0.656SS.*  trans-60.592.8173.4155.30000106P70 F74 S75P70-S72 PolarHBondContact O-N 3.41Å; S72-F74 PolarHBondContact O-N 3.47Å; S72-F74 WeakPolarHBondContact OG-CB 3.47Å; S72-F74 PolarHBondContact OG-N 3.26Å; S72-S75 PolarHBondContact O-N 3.17Å; S72-S75 PolarHBondContact O-OG 3.47Å
73H39.7Very low36.7Very low153 Ų153124 Ų12471%0.70865%0.653SS**THydrogen-bonded Turntrans-60.97.2164.6-66-77.1000112.1V71 S75 T76V71-H73 PolarHBondContact O-CD2 3.43Å; V71-H73 VanDerWaalsContact O-CD2 3.27Å; V71-H73 PolarHBondContact O-N 3.31Å; H73-S75 VanDerWaalsContact C-N 3.26Å; H73-S75 PolarHBondContact O-N 3.23Å; H73-T76 PolarHBondContact O-OG1 3.09Å
74F38.6Very low37.8Very low173 Ų173128.8 Ų128.876%0.75966%0.657SS**THydrogen-bonded Turntrans-74.7-6.2169.6-60.5-85.2000114.1S72S72-F74 PolarHBondContact O-N 3.47Å; S72-F74 WeakPolarHBondContact OG-CB 3.47Å; S72-F74 PolarHBondContact OG-N 3.26Å
75S35.9Very low38.1Very low66 Ų66126.4 Ų126.446%0.46265%0.652SS.*Hα-helixtrans-79.9-28.4-179.448.60000114.4S72 H73 Q79S72-S75 PolarHBondContact O-N 3.17Å; S72-S75 PolarHBondContact O-OG 3.47Å; H73-S75 VanDerWaalsContact C-N 3.26Å; H73-S75 PolarHBondContact O-N 3.23Å; S75-Q79 WeakPolarHBondContact O-CG 3.46Å; S75-Q79 PolarHBondContact O-N 3.14Å
76T42Very low38.6Very low85 Ų85124.6 Ų124.652%0.52164%0.643SS.*Hα-helixtrans-72.6-36.8-17729.80000113.1H73 Q79 L80H73-T76 PolarHBondContact O-OG1 3.09Å; T76-Q79 PolarHBondContact O-N 2.8Å; T76-L80 WeakPolarHBondContact O-CG 3.1Å; T76-L80 PolarHBondContact O-N 3.31Å
77V44.4Very low38.8Very low99 Ų99126 Ų12660%0.665%0.651SS**Hα-helixtrans-71.6-35.9-178.4-173.40000111.6
78S42.8Very low39.2Very low62 Ų62122.3 Ų122.343%0.43464%0.642SS.*Hα-helixtrans-75.5-28.3175.4-65.10000113.7
79Q41.2Very low39.6Very low130 Ų130121.7 Ų121.761%0.60764%0.635SS**Hα-helixtrans-73.5-36.2176.3-75.4-172.61.800112.5S75 T76 S81 R82S75-Q79 WeakPolarHBondContact O-CG 3.46Å; S75-Q79 PolarHBondContact O-N 3.14Å; T76-Q79 PolarHBondContact O-N 2.8Å; Q79-S81 VanDerWaalsContact C-N 3.25Å; Q79-S81 PolarHBondContact O-N 3.07Å; Q79-R82 PolarHBondContact O-N 2.85Å
80L44.3Very low39.8Very low122 Ų122118.4 Ų118.464%0.63963%0.633SS**Hα-helixtrans-66.5-25.7176.1-73.9167000113.2T76T76-L80 WeakPolarHBondContact O-CG 3.1Å; T76-L80 PolarHBondContact O-N 3.31Å
81S47.2Very low39.9Very low19 Ų19118.9 Ų118.913%0.13363%0.633CS.*Hα-helixtrans-66.7-35.6173.4137.20000112.3Q79 G85 L86Q79-S81 VanDerWaalsContact C-N 3.25Å; Q79-S81 PolarHBondContact O-N 3.07Å; S81-G85 PolarHBondContact O-N 2.68Å; S81-L86 PolarHBondContact O-N 3.36Å; S81-L86 PolarHBondContact OG-O 3.38Å
82R42.9Very low39.8Very low219 Ų219119.6 Ų119.683%0.82664%0.638SS**Hα-helixtrans-71.1-35.3-179.2-70-170.8176.5-165.1-1.2113.3Q79 R84Q79-R82 PolarHBondContact O-N 2.85Å; R82-R84 VanDerWaalsContact C-N 3.32Å; R82-R84 PolarHBondContact O-N 2.96Å
83H47.3Very low39.7Very low172 Ų172122.7 Ų122.780%0.79666%0.656SS**Hα-helixtrans-74.6-19.5179.5-80.2-68.8000114.2
84R50.3Low39.2Very low209 Ų209119.1 Ų119.179%0.78966%0.661SS**THydrogen-bonded Turntrans-1139.1-178.8-70.7-170.8177.1178.30.4114.5R82 L86R82-R84 VanDerWaalsContact C-N 3.32Å; R82-R84 PolarHBondContact O-N 2.96Å; R84-L86 HydrophobicContact CB-CD1 4.39Å; R84-L86 HydrophobicContact CB-CG 4.41Å; R84-L86 PolarHBondContact O-N 3.44Å
85G37Very low38.8Very low73 Ų73116.4 Ų116.475%0.75366%0.664SS**THydrogen-bonded Turntrans63.423.9178.100000114.2S81S81-G85 PolarHBondContact O-N 2.68Å
86L38.4Very low38.4Very low110 Ų110118.7 Ų118.758%0.57668%0.68SS**PPolyproline II helixtrans-92.7139.7178.8-67.1172.7000110.2S81 R84S81-L86 PolarHBondContact O-N 3.36Å; S81-L86 PolarHBondContact OG-O 3.38Å; R84-L86 HydrophobicContact CB-CD1 4.39Å; R84-L86 HydrophobicContact CB-CG 4.41Å; R84-L86 PolarHBondContact O-N 3.44Å
87P32.3Very low37.9Very low109 Ų109121 Ų12171%0.70869%0.694SS**PPolyproline II helixtrans-61.2143.3-177.624.2-32.8000111.9M89P87-M89 PolarHBondContact O-N 2.67Å
88P37.5Very low37Very low96 Ų96122.8 Ų122.862%0.62371%0.705SS**PPolyproline II helixtrans-67.6126.6-177.126.7-33.5000111.2I90P88-I90 PolarHBondContact O-N 3.27Å
89M38.2Very low36.2Very low154 Ų154123.4 Ų123.476%0.75971%0.714SS**  trans-82.5113.6-178.1-158.5-175.7-58.200110.1P87P87-M89 PolarHBondContact O-N 2.67Å
90I33.3Very low35.5Very low152 Ų152124.8 Ų124.878%0.77973%0.725SS**  trans-95.7114.5176-58.8173.2000108.4P88P88-I90 PolarHBondContact O-N 3.27Å
91V37.9Very low34.7Very low123 Ų123130.1 Ų130.175%0.74574%0.737SS**PPolyproline II helixtrans-96.6120.7175-179.50000109
92V31.9Very low33.8Very low126 Ų126134.2 Ų134.276%0.76477%0.766SS**PPolyproline II helixtrans-86.8123.8-178.8-1790000110.6
93P31.3Very low33.3Very low124 Ų124129.1 Ų129.181%0.80576%0.764SS**PPolyproline II helixtrans-88.1122173.87.310.5000111
94G28.2Very low32.4Very low78 Ų78123.9 Ų123.980%0.80476%0.756SS**  trans168.193.8170.800000116.3
95S31.4Very low32Very low116 Ų116120.2 Ų120.281%0.81176%0.759SS**  trans-163.880.2145.6173.20000108.1
96S27.6Very low31.8Very low114 Ų114127.4 Ų127.480%0.79776%0.764SS**  trans-89.8106.6174.256.30000110
97T29.8Very low31.7Very low134 Ų134132.2 Ų132.282%0.82278%0.78SS**  trans-108.7102.3157.251.40000108.5
98V27Very low31.6Very low136 Ų136131.7 Ų131.782%0.82478%0.779SS**  trans-67.6143.7162.9179.40000107
99A24.5Very low31.3Very low76 Ų76132.8 Ų132.863%0.62878%0.784SS**  cis-157.1143.911.800000107.7
100D27.7Very low31.2Very low159 Ų159132.4 Ų132.485%0.8579%0.785SS**  -143.2131.1128.7-151.8-9.3000109.4S102D100-S102 PolarHBondContact O-N 3.42Å
101R27.9Very low31.1Very low233 Ų233136.2 Ų136.288%0.87979%0.789SS**  trans-93.189.7-166.5-70.5176.9172.1-177.4-1.9108.8
102S28.2Very low30.9Very low106 Ų106136.3 Ų136.374%0.74178%0.784SS**SBendtrans-167.2128.5149.549.20000111.4D100D100-S102 PolarHBondContact O-N 3.42Å
103S30.6Very low30.8Very low112 Ų112133.6 Ų133.678%0.78377%0.77SS**SBendtrans63.681.1158.3-162.60000117.9
104G30.4Very low31.2Very low62 Ų62133.7 Ų133.764%0.63977%0.771SS**  trans63.9147.4143.400000118.6R106G104-R106 PolarHBondContact O-N 3.08Å
105P40.5Very low31.5Very low132 Ų132136.6 Ų136.686%0.85777%0.769SS**  trans-7282.4170.931.6-31.8000108.4K107P105-K107 PolarHBondContact O-N 2.99Å
106R33.7Very low31.8Very low224 Ų224133.2 Ų133.285%0.84575%0.745SS**  trans-56.2125.1156.3-80.8-177.3157.7178.4-5.2105.6G104 S108G104-R106 PolarHBondContact O-N 3.08Å; R106-S108 PolarHBondContact O-N 3.3Å
107K36Very low32.2Very low210 Ų210132 Ų13291%0.91374%0.742SS**  trans-61.564.7172.2-61175.2-179.5179.70109.4P105 T109P105-K107 PolarHBondContact O-N 2.99Å; K107-T109 VanDerWaalsContact C-N 3.3Å; K107-T109 PolarHBondContact O-N 3.36Å; K107-T109 VanDerWaalsContact O-N 3.09Å
108S29.6Very low32.7Very low99 Ų99134.2 Ų134.269%0.69274%0.74SS**  trans-77.894.3166.760.60000105.3R106 L110R106-S108 PolarHBondContact O-N 3.3Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 2.94Å
109T30.9Very low32.9Very low118 Ų118131.2 Ų131.272%0.72473%0.725SS**  trans-44.7106.8154.232.10000107.1K107 R111K107-T109 VanDerWaalsContact C-N 3.3Å; K107-T109 PolarHBondContact O-N 3.36Å; K107-T109 VanDerWaalsContact O-N 3.09Å; T109-R111 PolarHBondContact O-N 3.14Å
110L36.5Very low33.2Very low147 Ų147133.3 Ų133.377%0.7773%0.732SS**  trans-64.795.3173.6-157.2139.1000104.8S108 I112S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 2.94Å; L110-I112 HydrophobicContact CD2-CD1 4.45Å; L110-I112 HydrophobicContact CD2-CG1 3.68Å; L110-I112 PolarHBondContact O-N 3.41Å
111R31.5Very low33.8Very low231 Ų231133.6 Ų133.687%0.87273%0.732SS**  trans-67.688.6176.2-73.2-172.1179.9173.90.2106.6T109 S113T109-R111 PolarHBondContact O-N 3.14Å; R111-S113 PolarHBondContact O-N 2.9Å
112I34.7Very low34.2Very low126 Ų126132.9 Ų132.965%0.64673%0.73SS**  trans-67.294.9164-54.7174.2000104.7L110L110-I112 HydrophobicContact CD2-CD1 4.45Å; L110-I112 HydrophobicContact CD2-CG1 3.68Å; L110-I112 PolarHBondContact O-N 3.41Å
113S29.6Very low34.4Very low68 Ų68139.8 Ų139.848%0.47674%0.739SS.*  trans-57.4141.116973.70000108R111 N115 S116R111-S113 PolarHBondContact O-N 2.9Å; S113-N115 PolarHBondContact O-N 3.03Å; S113-S116 VanDerWaalsContact O-CB 3.28Å; S113-S116 WeakPolarHBondContact O-CB 3.34Å; S113-S116 PolarHBondContact O-N 3.17Å
114P40Very low34.5Very low127 Ų127142.3 Ų142.383%0.82574%0.739SS**THydrogen-bonded Turntrans-61-7.8179.820.9-30.4000113.9S116P114-S116 VanDerWaalsContact C-N 3.33Å
115N34.1Very low34.9Very low139 Ų139145.1 Ų145.174%0.74375%0.749SS**THydrogen-bonded Turntrans-85.30.2170.5-70.9-6.8000113.9S113 A117S113-N115 PolarHBondContact O-N 3.03Å; N115-A117 PolarHBondContact O-N 3.13Å
116S36.6Very low34.7Very low45 Ų45147.2 Ų147.232%0.31574%0.744SS.*G310 helixtrans-83.215.2177.6-170.90000114S113 P114 F118 S119S113-S116 VanDerWaalsContact O-CB 3.28Å; S113-S116 WeakPolarHBondContact O-CB 3.34Å; S113-S116 PolarHBondContact O-N 3.17Å; P114-S116 VanDerWaalsContact C-N 3.33Å; S116-F118 PolarHBondContact O-N 3.44Å; S116-S119 PolarHBondContact OG-OG 3.01Å
117A37.6Very low34.8Very low88 Ų88141.1 Ų141.173%0.72774%0.736SS**G310 helixtrans-64.3-12.7160.900000112.1N115N115-A117 PolarHBondContact O-N 3.13Å
118F39.1Very low34.9Very low180 Ų180136.7 Ų136.779%0.78972%0.722SS**G310 helixtrans-120.532.9178.5-61.5-77.1000113.4S116 P120S116-F118 PolarHBondContact O-N 3.44Å; F118-P120 WeakPolarHBondContact O-CD 3.5Å; F118-P120 VanDerWaalsContact O-N 3.17Å
119S31.1Very low35.3Very low74 Ų74138.1 Ų138.152%0.51772%0.722SS.*  trans-65.4113157.8-77.60000106.6S116 I121S116-S119 PolarHBondContact OG-OG 3.01Å; S119-I121 PolarHBondContact O-N 3.32Å
120P30.3Very low35.8Very low119 Ų119142.2 Ų142.277%0.77373%0.725SS**  trans-63.1109.9180-1226.9000106F118 R122F118-P120 WeakPolarHBondContact O-CD 3.5Å; F118-P120 VanDerWaalsContact O-N 3.17Å; P120-R122 PolarHBondContact O-N 2.93Å
121I40.9Very low36Very low165 Ų165140.5 Ų140.585%0.84672%0.72SS**  trans-51.1113.5166.3-65.9168.7000104.4S119 R123S119-I121 PolarHBondContact O-N 3.32Å; I121-R123 PolarHBondContact O-N 2.89Å
122R36.7Very low36.4Very low219 Ų219132.6 Ų132.683%0.82670%0.698SS**  trans-45.9137.3179-86.7177.7172.7165.7-2.7107.5P120 E124P120-R122 PolarHBondContact O-N 2.93Å; R122-E124 PolarHBondContact O-N 3.14Å
123R33Very low36.7Very low251 Ų251132.5 Ų132.595%0.94770%0.698SS**  trans-57.981.3174-66.7-179.8178.6175.1-2.4109.4I121 S125I121-R123 PolarHBondContact O-N 2.89Å; R123-S125 PolarHBondContact O-N 3.3Å
124E32.5Very low37.4Very low165 Ų165135.4 Ų135.477%0.77172%0.715SS**  trans-81.3101.7161.7-62.7-155-164.200105.8R122 K126R122-E124 PolarHBondContact O-N 3.14Å; E124-K126 PolarHBondContact O-N 3.43Å
125S38.6Very low37.6Very low121 Ų121132.9 Ų132.985%0.84671%0.712SS**  trans-69.478.1172.2490000109.4R123R123-S125 PolarHBondContact O-N 3.3Å
126K37Very low37.9Very low175 Ų175130.6 Ų130.676%0.76170%0.697SS**SBendtrans-140.2125.3155.6-68.1-173-178.71750105.8E124 N128E124-K126 PolarHBondContact O-N 3.43Å; K126-N128 PolarHBondContact O-N 3.47Å
127S35.3Very low38.4Very low97 Ų97132.6 Ų132.668%0.67871%0.709SS**  trans-40.999.5173.744.50000110.4D129S127-D129 PolarHBondContact O-N 2.98Å
128N37.6Very low39.2Very low117 Ų117135 Ų13563%0.62671%0.709SS**  trans-7891.5160.4-76.3-34.4000105K126 W130K126-N128 PolarHBondContact O-N 3.47Å; N128-W130 HydrophobicContact CB-CD2 4.44Å; N128-W130 HydrophobicContact CB-CG 4.39Å; N128-W130 HydrophobicContact CB-CZ2 4.15Å; N128-W130 PolarHBondContact O-N 3.32Å
129D38.3Very low39.4Very low129 Ų129133.4 Ų133.469%0.6970%0.702SS**  trans-67.372.6171.3-66.5-34.5000108.8S127S127-D129 PolarHBondContact O-N 2.98Å
130W41.7Very low39.8Very low204 Ų204136.9 Ų136.977%0.77371%0.71SS**  trans-92.433.3158.522.3-107000111N128 V132N128-W130 HydrophobicContact CB-CD2 4.44Å; N128-W130 HydrophobicContact CB-CG 4.39Å; N128-W130 HydrophobicContact CB-CZ2 4.15Å; N128-W130 PolarHBondContact O-N 3.32Å; W130-V132 PolarHBondContact O-N 2.86Å
131T39.4Very low40.3Very low110 Ų110136.9 Ų136.968%0.67571%0.71SS**  trans-63.987.2150.527.30000107.9N133T131-N133 PolarHBondContact O-N 3.31Å; T131-N133 VanDerWaalsContact O-N 3.15Å
132V40.9Very low40.5Very low66 Ų66135.5 Ų135.540%0.470%0.703SS.*  trans-65.9109.6170.3-177.90000106.9W130 H136 F139W130-V132 PolarHBondContact O-N 2.86Å; V132-H136 HydrophobicContact CG1-CB 3.43Å; V132-H136 VanDerWaalsContact CG1-CB 3.43Å; V132-F139 HydrophobicContact CB-CE2 4.08Å; V132-F139 HydrophobicContact CG1-CD2 4.08Å; V132-F139 HydrophobicContact CG1-CE2 3.67Å
133N40.7Very low40.7Very low123 Ų123129.3 Ų129.366%0.65870%0.699SS**  trans-59.2137.1179.2-76.2-29.7000110.5T131 G135 H136T131-N133 PolarHBondContact O-N 3.31Å; T131-N133 VanDerWaalsContact O-N 3.15Å; N133-G135 PolarHBondContact O-N 3.4Å; N133-H136 PolarHBondContact O-N 3.01Å
134P43.4Very low41.4Very low129 Ų129124.3 Ų124.384%0.83869%0.69SS**THydrogen-bonded Turntrans-61.7108.217224.4-30.3000108.3
135G44.8Very low41.7Very low74 Ų74127.1 Ų127.176%0.76369%0.693SS**THydrogen-bonded Turntrans135.8-11.8-166.900000113.4N133N133-G135 PolarHBondContact O-N 3.4Å
136H40.6Very low42.1Very low92 Ų92127.3 Ų127.343%0.42669%0.692SS.*  trans-69.5130.1169.6-157.9-74.4000109.7V132 N133 L138 F139V132-H136 HydrophobicContact CG1-CB 3.43Å; V132-H136 VanDerWaalsContact CG1-CB 3.43Å; N133-H136 PolarHBondContact O-N 3.01Å; H136-L138 WeakPolarHBondContact ND1-CG 3.3Å; H136-L138 PolarHBondContact O-N 3.32Å; H136-F139 PolarHBondContact O-N 3.49Å
137P48.3Very low42.7Very low87 Ų87125.1 Ų125.157%0.56569%0.693SS**THydrogen-bonded Turntrans-65.98.1-176.226-35.6000114.8F139P137-F139 VanDerWaalsContact C-N 3.32Å
138L52.9Low43.2Very low137 Ų137125 Ų12572%0.71770%0.698SS**THydrogen-bonded Turntrans-79.9-17166.6-70.3172.7000112.2H136H136-L138 WeakPolarHBondContact ND1-CG 3.3Å; H136-L138 PolarHBondContact O-N 3.32Å
139F44.6Very low43.8Very low147 Ų147124.1 Ų124.165%0.64570%0.697SS**SBendtrans-97.2-11.9175.3-77.8-70.6000113.8V132 H136 P137 P141V132-F139 HydrophobicContact CB-CE2 4.08Å; V132-F139 HydrophobicContact CG1-CD2 4.08Å; V132-F139 HydrophobicContact CG1-CE2 3.67Å; H136-F139 PolarHBondContact O-N 3.49Å; P137-F139 VanDerWaalsContact C-N 3.32Å; F139-P141 VanDerWaalsContact O-CD 3.28Å; F139-P141 WeakPolarHBondContact O-CD 3.41Å
140E37.9Very low44.3Very low147 Ų147126.5 Ų126.569%0.68770%0.696SS**SBendtrans-73116.3162.6-74.3-171.4171.900106.7I142E140-I142 PolarHBondContact O-N 3.29Å
141P41.3Very low45.2Very low120 Ų120123.9 Ų123.978%0.77970%0.696SS**  trans-59.7108.7175.524.7-30.9000106.3F139 A143F139-P141 VanDerWaalsContact O-CD 3.28Å; F139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-A143 PolarHBondContact O-N 3.3Å
142I45.5Very low46.3Very low136 Ų136125.4 Ų125.470%0.69770%0.695SS**  trans-57.8101.3160.8-59.7172.3000103.1E140 L144E140-I142 PolarHBondContact O-N 3.29Å; I142-L144 HydrophobicContact CG2-CD2 3.74Å; I142-L144 HydrophobicContact CG2-CG 4.01Å; I142-L144 PolarHBondContact O-N 3.32Å
143A40.8Very low46.9Very low88 Ų88128.1 Ų128.173%0.72771%0.708SS**  trans-65.279.1173.500000106.3P141 R145P141-A143 PolarHBondContact O-N 3.3Å; A143-R145 PolarHBondContact O-N 3.45Å
144L46.7Very low47.7Very low147 Ų147126 Ų12677%0.7770%0.699SS**  trans-64.194.2168.2-67.6177.5000104.5I142 P146I142-L144 HydrophobicContact CG2-CD2 3.74Å; I142-L144 HydrophobicContact CG2-CG 4.01Å; I142-L144 PolarHBondContact O-N 3.32Å; L144-P146 VanDerWaalsContact O-N 3.16Å
145R38.9Very low48.1Very low223 Ų223131.5 Ų131.584%0.84270%0.703SS**  trans-51.2125.4171.3-64-175-1591624.9106.2A143 V147A143-R145 PolarHBondContact O-N 3.45Å; R145-V147 PolarHBondContact O-N 3.04Å
146P47.2Very low48.8Very low126 Ų126131.8 Ų131.882%0.81869%0.69SS**  trans-59.2114.117922.2-30.8000108L144 A148L144-P146 VanDerWaalsContact O-N 3.16Å; P146-A148 PolarHBondContact O-N 3.34Å; P146-A148 VanDerWaalsContact O-N 3.16Å
147V51.2Low48.8Very low129 Ų129133.6 Ų133.678%0.78270%0.698SS**  trans-69.4111.2169.7178.10000105.7R145 V149R145-V147 PolarHBondContact O-N 3.04Å; V147-V149 PolarHBondContact O-N 3.28Å
148A44.7Very low48.9Very low94 Ų94134.1 Ų134.178%0.77770%0.702SS**  trans-62.7102.5176.700000109.1P146P146-A148 PolarHBondContact O-N 3.34Å; P146-A148 VanDerWaalsContact O-N 3.16Å
149V50.7Low48.8Very low99 Ų99130 Ų13060%0.669%0.688SS**  trans-84.6115.1171.6-173.30000107.4V147 L151 V154V147-V149 PolarHBondContact O-N 3.28Å; V149-L151 PolarHBondContact O-N 3.4Å; V149-V154 HydrophobicContact CG1-CG2 4.02Å
150R48.3Very low48.9Very low179 Ų179129.9 Ų129.968%0.67569%0.689SS**  trans-63.8125172.8-61.4178.1110.1163.45.1108.4E152 N153R150-E152 HydrophobicContact CB-CG 3.92Å; R150-E152 VanDerWaalsContact CD-OE1 3.3Å; R150-E152 WeakPolarHBondContact CD-OE1 3.16Å; R150-E152 IonicContact CZ-OE1 3.59Å; R150-E152 IonicContact NE-OE1 2.74Å; R150-E152 PolarHBondContact NE-OE1 2.91Å; R150-E152 PolarHBondContact O-N 3.33Å; R150-E152 VanDerWaalsContact O-N 3.09Å; R150-N153 PolarHBondContact O-N 2.76Å
151L60.6Low49.3Very low149 Ų149133.3 Ų133.378%0.7870%0.696SS**G310 helixtrans-60.2-21.3-175-69.5172.6000113.5V149 N153 V154V149-L151 PolarHBondContact O-N 3.4Å; L151-N153 PolarHBondContact O-N 3.25Å; L151-V154 PolarHBondContact O-N 2.98Å; L151-V154 VanDerWaalsContact O-N 3.11Å
152E62.5Low49.6Very low141 Ų141131 Ų13166%0.65969%0.687SS**G310 helixtrans-59.7-24173.964.9-166.8163.800113.5R150R150-E152 HydrophobicContact CB-CG 3.92Å; R150-E152 VanDerWaalsContact CD-OE1 3.3Å; R150-E152 WeakPolarHBondContact CD-OE1 3.16Å; R150-E152 IonicContact CZ-OE1 3.59Å; R150-E152 IonicContact NE-OE1 2.74Å; R150-E152 PolarHBondContact NE-OE1 2.91Å; R150-E152 PolarHBondContact O-N 3.33Å; R150-E152 VanDerWaalsContact O-N 3.09Å
153N54Low49.2Very low124 Ų124133.9 Ų133.966%0.66369%0.69SS**G310 helixtrans-92.2-5.8178.9-65.9-19.3000113.5R150 L151 R155R150-N153 PolarHBondContact O-N 2.76Å; L151-N153 PolarHBondContact O-N 3.25Å; N153-R155 PolarHBondContact O-N 2.94Å
154V57.2Low49.4Very low78 Ų78138.2 Ų138.247%0.47370%0.695SS.*  trans-91.482.5179.3-172.90000108.8V149 L151 V156V149-V154 HydrophobicContact CG1-CG2 4.02Å; L151-V154 PolarHBondContact O-N 2.98Å; L151-V154 VanDerWaalsContact O-N 3.11Å; V154-V156 HydrophobicContact CG1-CG2 4.05Å; V154-V156 PolarHBondContact O-N 2.99Å
155R51.8Low49.4Very low244 Ų244136.5 Ų136.592%0.92169%0.691SS**  trans-71.596.8167-75.6-175.8178.9170.3-0.3109.1N153 H157N153-R155 PolarHBondContact O-N 2.94Å; R155-H157 PolarHBondContact O-N 3.39Å
156V58.3Low49.8Very low81 Ų81134.4 Ų134.449%0.49169%0.691SS.*  trans-72.6116.6168.9-177.30000108.1V154 Q160V154-V156 HydrophobicContact CG1-CG2 4.05Å; V154-V156 PolarHBondContact O-N 2.99Å; V156-Q160 HydrophobicContact CG1-CB 4.44Å
157H41.6Very low49.5Very low129 Ų129136.4 Ų136.460%0.59769%0.694SS**  trans-60.9128.9178.1-164.5-90.3000109.8R155 A159 Q160R155-H157 PolarHBondContact O-N 3.39Å; H157-A159 WeakPolarHBondContact ND1-CB 3.42Å; H157-A159 PolarHBondContact O-N 3.41Å; H157-Q160 PolarHBondContact O-N 2.95Å
158P50.9Low48.8Very low99 Ų99141 Ų14164%0.64370%0.698SS**G310 helixtrans-58.2-24.5-173.117.8-29.3000114Q160 R161P158-Q160 PolarHBondContact O-N 3.34Å; P158-Q160 VanDerWaalsContact O-N 3.13Å; P158-R161 PolarHBondContact O-N 3.46Å; P158-R161 VanDerWaalsContact O-N 3.09Å
159A49.5Very low48.6Very low50 Ų50145.1 Ų145.141%0.41369%0.694SS.*G310 helixtrans-59.8-20.9174.300000114.3H157 Y163H157-A159 WeakPolarHBondContact ND1-CB 3.42Å; H157-A159 PolarHBondContact O-N 3.41Å; A159-Y163 VanDerWaalsContact O-CD2 3.31Å; A159-Y163 WeakPolarHBondContact O-CD2 3.45Å; A159-Y163 WeakPolarHBondContact O-CE2 3.35Å
160Q46.5Very low48Very low145 Ų145148.6 Ų148.668%0.67870%0.703SS**G310 helixtrans-83.2-11.4177.8-68.6-177.5-14.600113.6V156 H157 P158V156-Q160 HydrophobicContact CG1-CB 4.44Å; H157-Q160 PolarHBondContact O-N 2.95Å; P158-Q160 PolarHBondContact O-N 3.34Å; P158-Q160 VanDerWaalsContact O-N 3.13Å
161R47.7Very low47.7Very low219 Ų219145.2 Ų145.283%0.82670%0.704SS**THydrogen-bonded Turntrans-79.7-21.1173.4-72.9-170.8-171.1178.64113.4P158P158-R161 PolarHBondContact O-N 3.46Å; P158-R161 VanDerWaalsContact O-N 3.09Å
162A47.1Very low46.8Very low71 Ų71147.7 Ų147.759%0.58770%0.703SS**SBendtrans-85-14.3-172.400000114.6Q164A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 3.37Å
163Y37.6Very low45.9Very low197 Ų197149.6 Ų149.677%0.77371%0.712SS**THydrogen-bonded Turntrans-86.755.2-179.1-67.5-78.7000112.8A159A159-Y163 VanDerWaalsContact O-CD2 3.31Å; A159-Y163 WeakPolarHBondContact O-CD2 3.45Å; A159-Y163 WeakPolarHBondContact O-CE2 3.35Å
164Q44.7Very low45.4Very low179 Ų179149.9 Ų149.984%0.83671%0.713SS**THydrogen-bonded Turntrans-164.738163.7-117.9175.356.600115.8A162A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 3.37Å
165T47.3Very low44.7Very low111 Ų111156.3 Ų156.368%0.68173%0.728SS**SBendtrans-137-13.4168.750.50000117.1N167T165-N167 PolarHBondContact O-N 2.94Å
166E45.7Very low44.2Very low179 Ų179150.2 Ų150.284%0.83671%0.714SS**THydrogen-bonded Turntrans-81.6-11.1-175.2-75.6-170.2159.500116.6
167N42.2Very low43.9Very low167 Ų167150.1 Ų150.189%0.89371%0.714SS**THydrogen-bonded Turntrans-90.71.1177.9-77.3-24.2000114.6T165 R169T165-N167 PolarHBondContact O-N 2.94Å; N167-R169 PolarHBondContact O-N 3.46Å; N167-R169 VanDerWaalsContact O-N 3.15Å
168W36.3Very low44.3Very low225 Ų225146.9 Ų146.985%0.85271%0.709SS**  trans-86.860.1162.7-60.397.8000108.8E170W168-E170 PolarHBondContact O-N 2.82Å
169R39.4Very low44.2Very low182 Ų182147.2 Ų147.269%0.68771%0.705SS**  trans-60.3114.6158.2-86.5-173.6-178.6-127.3-1.2105.8N167 R172N167-R169 PolarHBondContact O-N 3.46Å; N167-R169 VanDerWaalsContact O-N 3.15Å; R169-R172 VanDerWaalsContact NH1-NH2 3.18Å
170E39.7Very low44.3Very low172 Ų172149.9 Ų149.980%0.80471%0.712SS**  trans-42.6133164.6-70.1175.2160.700108.6W168 R172W168-E170 PolarHBondContact O-N 2.82Å; E170-R172 PolarHBondContact O-N 3.05Å
171P41.8Very low44.4Very low108 Ų108150.1 Ų150.170%0.70171%0.711SS**  trans-59.1103.3179.522.2-29.6000108.1E173P171-E173 PolarHBondContact O-N 3.28Å
172R42.1Very low44.4Very low201 Ų201143.1 Ų143.176%0.75870%0.695SS**  trans-51.6117.9171.2-74-178.7171-169.3-7.6107.4R169 E170 I174R169-R172 VanDerWaalsContact NH1-NH2 3.18Å; E170-R172 PolarHBondContact O-N 3.05Å; R172-I174 PolarHBondContact O-N 2.92Å
173E42.7Very low44.3Very low180 Ų180144.4 Ų144.484%0.84170%0.7SS**  trans32.588.5164.8-68.2172.6-179.900112.5P171 R175P171-E173 PolarHBondContact O-N 3.28Å; E173-R175 PolarHBondContact O-N 3.38Å
174I43.9Very low44.7Very low131 Ų131142.6 Ų142.667%0.67270%0.704SS**  trans-53.598.5161-59.1166.3000105.3R172 N176 V177R172-I174 PolarHBondContact O-N 2.92Å; I174-N176 PolarHBondContact O-N 2.88Å; I174-V177 HydrophobicContact CG2-CG2 4.22Å
175R41.4Very low44.6Very low212 Ų212142.8 Ų142.880%0.870%0.697SS**  trans-48.6122165.3-76.7-176.5-174.9169.10.6105.4E173 V177E173-R175 PolarHBondContact O-N 3.38Å; R175-V177 PolarHBondContact O-N 3.33Å
176N42.7Very low44.4Very low116 Ų116142.9 Ų142.962%0.6270%0.702SS**  trans-40.6115.9-178.6-100-36.2000108.9I174 A178 D179I174-N176 PolarHBondContact O-N 2.88Å; N176-A178 HydrophobicContact CB-CB 4.41Å; N176-A178 PolarHBondContact O-N 3.21Å; N176-D179 PolarHBondContact O-N 3.42Å
177V51.9Low44.5Very low80 Ų80139.3 Ų139.349%0.48570%0.703SS.*Hα-helixtrans-57-22.6178.11770000110I174 R175 D179 I180 F181I174-V177 HydrophobicContact CG2-CG2 4.22Å; R175-V177 PolarHBondContact O-N 3.33Å; V177-D179 VanDerWaalsContact C-N 3.33Å; V177-D179 PolarHBondContact O-N 3.07Å; V177-I180 PolarHBondContact O-N 3.01Å; V177-F181 HydrophobicContact CG1-CD2 3.73Å; V177-F181 HydrophobicContact CG1-CE2 3.5Å; V177-F181 VanDerWaalsContact CG1-CE2 3.5Å; V177-F181 VanDerWaalsContact O-CD2 3.28Å; V177-F181 WeakPolarHBondContact O-CD2 3.28Å; V177-F181 PolarHBondContact O-N 3Å
178A50.3Low44.6Very low61 Ų61136.1 Ų136.150%0.50470%0.7SS.*Hα-helixtrans-56.7-36169.600000114.2N176 F181 S182N176-A178 HydrophobicContact CB-CB 4.41Å; N176-A178 PolarHBondContact O-N 3.21Å; A178-F181 PolarHBondContact O-N 3.3Å; A178-S182 WeakPolarHBondContact O-CB 3.48Å; A178-S182 PolarHBondContact O-N 3.04Å; A178-S182 PolarHBondContact O-OG 2.98Å
179D47.9Very low44.8Very low105 Ų105127.2 Ų127.256%0.56168%0.675SS**Hα-helixtrans-74.9-31.1-179.6-69.8-21.3000112N176 V177 F181 S183N176-D179 PolarHBondContact O-N 3.42Å; V177-D179 VanDerWaalsContact C-N 3.33Å; V177-D179 PolarHBondContact O-N 3.07Å; D179-F181 VanDerWaalsContact C-N 3.34Å; D179-S183 PolarHBondContact O-N 2.95Å; D179-S183 PolarHBondContact O-OG 3.19Å
180I51.6Low45Very low107 Ų107127.6 Ų127.655%0.54968%0.684SS.*Hα-helixtrans-67.5-37.1176.7-56.4177.3000110.4V177V177-I180 PolarHBondContact O-N 3.01Å
181F49Very low45.3Very low149 Ų149127.1 Ų127.165%0.65469%0.685SS**Hα-helixtrans-89-17.2179.1-70.3-68.9000114.5V177 A178 D179V177-F181 HydrophobicContact CG1-CD2 3.73Å; V177-F181 HydrophobicContact CG1-CE2 3.5Å; V177-F181 VanDerWaalsContact CG1-CE2 3.5Å; V177-F181 VanDerWaalsContact O-CD2 3.28Å; V177-F181 WeakPolarHBondContact O-CD2 3.28Å; V177-F181 PolarHBondContact O-N 3Å; A178-F181 PolarHBondContact O-N 3.3Å; D179-F181 VanDerWaalsContact C-N 3.34Å
182S47.9Very low45.4Very low73 Ų73130 Ų13051%0.5169%0.689SS.*Hα-helixtrans-75.2-29.3174.6-60.10000112.5A178 N184A178-S182 WeakPolarHBondContact O-CB 3.48Å; A178-S182 PolarHBondContact O-N 3.04Å; A178-S182 PolarHBondContact O-OG 2.98Å; S182-N184 VanDerWaalsContact C-N 3.35Å; S182-N184 PolarHBondContact O-N 2.99Å
183S45Very low45.5Very low98 Ų98124.2 Ų124.269%0.68568%0.68SS**THydrogen-bonded Turntrans-76.9-14.1-174.7-64.90000115.1D179D179-S183 PolarHBondContact O-N 2.95Å; D179-S183 PolarHBondContact O-OG 3.19Å
184N45.5Very low45.5Very low158 Ų158127.1 Ų127.185%0.84568%0.683SS**THydrogen-bonded Turntrans-119.65-177.9-76.1-25.6000115.1S182S182-N184 VanDerWaalsContact C-N 3.35Å; S182-N184 PolarHBondContact O-N 2.99Å
185R42.4Very low45.8Very low183 Ų183126.3 Ų126.369%0.69168%0.684SS**SBendtrans-101.8-3.7177.9-165.2171.8-88.2-127.41.9114.1A187 A189R185-A187 PolarHBondContact O-N 3.13Å; R185-A187 VanDerWaalsContact O-N 3.09Å; R185-A189 HydrophobicContact CG-CB 3.8Å
186S43.6Very low46.1Very low113 Ų113123.6 Ų123.679%0.7968%0.681SS**THydrogen-bonded Turntrans-85.770.1176.4-57.40000112.1
187A46.9Very low46.3Very low105 Ų105123 Ų12387%0.86868%0.684SS**THydrogen-bonded Turntrans-169-30.8154.300000114R185R185-A187 PolarHBondContact O-N 3.13Å; R185-A187 VanDerWaalsContact O-N 3.09Å
188A44.4Very low46.3Very low100 Ų100122 Ų12283%0.82668%0.684SS**THydrogen-bonded Turntrans-127.3-5-165.700000116.8
189A41.6Very low46.4Very low38 Ų38124.7 Ų124.731%0.31469%0.69SS.*  trans-105.67.7-173.900000115.1R185 I191R185-A189 HydrophobicContact CG-CB 3.8Å; A189-I191 VanDerWaalsContact C-N 3.27Å; A189-I191 PolarHBondContact O-N 3.01Å
190Q43Very low46.5Very low190 Ų190122.6 Ų122.689%0.88869%0.687SS**THydrogen-bonded Turntrans-79.81.6-175.2-144.2177.67.200114.6
191I45Very low46.6Very low161 Ų161120.5 Ų120.583%0.82669%0.686SS**THydrogen-bonded Turntrans-111.5-10.8-177.3-61.5179.7000114.1A189A189-I191 VanDerWaalsContact C-N 3.27Å; A189-I191 PolarHBondContact O-N 3.01Å
192Q45.7Very low46.9Very low169 Ų169117.8 Ų117.879%0.7968%0.678SS**THydrogen-bonded Turntrans-120.10.6-177.1-77-178.7-13.700116.6R194Q192-R194 VanDerWaalsContact C-N 3.32Å; Q192-R194 PolarHBondContact O-N 3Å
193S42.5Very low47.2Very low80 Ų80116.7 Ų116.756%0.55967%0.673SS**THydrogen-bonded Turntrans-84.610-178.476.90000115.7
194R43.5Very low47.4Very low240 Ų240120.6 Ų120.691%0.90667%0.674SS**THydrogen-bonded Turntrans-89.9-13.1179.4-117.3-173.6-176.1-169.52114.7Q192Q192-R194 VanDerWaalsContact C-N 3.32Å; Q192-R194 PolarHBondContact O-N 3Å
195V50.5Low47.7Very low114 Ų114120 Ų12069%0.69166%0.664SS**THydrogen-bonded Turntrans-101.8-32.8-175.4-175.80000112.7C197V195-C197 PolarHBondContact O-N 3.03Å
196E47.8Very low48.1Very low156 Ų156120.4 Ų120.473%0.72967%0.666SS**Hα-helixtrans-83.2-13.5-173.2-70.3-176160.800115.4A198E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.97Å
197C47.1Very low48.6Very low102 Ų102121.7 Ų121.769%0.68966%0.663SS**Hα-helixtrans-73.5-14.9175.9-730000113.8V195V195-C197 PolarHBondContact O-N 3.03Å
198A51.6Low48.9Very low60 Ų60120.7 Ų120.750%0.49665%0.65SS.*Hα-helixtrans-78.7-36177.900000112.6E196 L202E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.97Å; A198-L202 PolarHBondContact O-N 3.39Å
199D51.8Low48.8Very low117 Ų117121.9 Ų121.963%0.62664%0.642SS**Hα-helixtrans-75.7-34.8-175.2-78.5-24.7000113L202 A203D199-L202 PolarHBondContact O-N 3.4Å; D199-A203 WeakPolarHBondContact O-CB 3.42Å; D199-A203 PolarHBondContact O-N 2.88Å
200A51.2Low49Very low61 Ų61122.9 Ų122.950%0.50465%0.651SS.*Hα-helixtrans-67.7-36.7177.200000112.7A203 Y204A200-A203 PolarHBondContact O-N 3.15Å; A200-Y204 PolarHBondContact O-N 3.36Å
201A53.8Low49Very low63 Ų63119 Ų11952%0.52164%0.642SS.*Hα-helixtrans-70.6-34.8177.200000112.3K205A201-K205 PolarHBondContact O-N 2.76Å
202L53.9Low49Very low92 Ų92122.9 Ų122.948%0.48265%0.646SS.*Hα-helixtrans-71.1-35.1173.7-88.8161.9000112.4A198 D199 K205 R206A198-L202 PolarHBondContact O-N 3.39Å; D199-L202 PolarHBondContact O-N 3.4Å; L202-K205 PolarHBondContact O-N 3.43Å; L202-R206 PolarHBondContact O-N 3.13Å
203A54.7Low48.9Very low50 Ų50121.8 Ų121.841%0.41364%0.639SS.*Hα-helixtrans-64.2-41.1175.100000112.2D199 A200 R206 L207D199-A203 WeakPolarHBondContact O-CB 3.42Å; D199-A203 PolarHBondContact O-N 2.88Å; A200-A203 PolarHBondContact O-N 3.15Å; A203-R206 PolarHBondContact O-N 2.74Å; A203-L207 PolarHBondContact O-N 3.48Å
204Y48.4Very low49.4Very low181 Ų181122.4 Ų122.471%0.7164%0.639SS**Hα-helixtrans-66.7-38.7177.5-107.8-87.5000113.1A200 R206 L207 S208A200-Y204 PolarHBondContact O-N 3.36Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 3.25Å; Y204-L207 PolarHBondContact O-N 2.74Å; Y204-S208 PolarHBondContact O-N 3.49Å
205K52.7Low49.4Very low145 Ų145119.3 Ų119.363%0.6363%0.633SS**Hα-helixtrans-66.2-29.2175.3-98.3-175.4176.4179.40113.6A201 L202 S208 N209A201-K205 PolarHBondContact O-N 2.76Å; L202-K205 PolarHBondContact O-N 3.43Å; K205-S208 PolarHBondContact O-OG 3.21Å; K205-N209 PolarHBondContact O-N 3.36Å
206R50.7Low49.1Very low191 Ų191117.4 Ų117.472%0.72163%0.629SS**Hα-helixtrans-71.9-30.5176.2-75.2-178.4177.9151.51.1112.6L202 A203 Y204L202-R206 PolarHBondContact O-N 3.13Å; A203-R206 PolarHBondContact O-N 2.74Å; Y204-R206 VanDerWaalsContact C-N 3.3Å; Y204-R206 PolarHBondContact O-N 3.25Å
207L53.1Low49Very low140 Ų140115.1 Ų115.173%0.73362%0.618SS**Hα-helixtrans-83.1-31178.7-68.5170.7000113A203 Y204A203-L207 PolarHBondContact O-N 3.48Å; Y204-L207 PolarHBondContact O-N 2.74Å
208S53.8Low49Very low85 Ų85116.4 Ų116.459%0.59461%0.614SS**Hα-helixtrans-76.8-26.8179.770.10000114Y204 K205Y204-S208 PolarHBondContact O-N 3.49Å; K205-S208 PolarHBondContact O-OG 3.21Å
209N42.8Very low48.5Very low125 Ų125121.7 Ų121.767%0.66863%0.626SS**SBendtrans-101.41.1-175.1-67.5-5.8000113.9K205K205-N209 PolarHBondContact O-N 3.36Å
210A44.8Very low47.9Very low59 Ų59120.1 Ų120.149%0.48862%0.624SS.*SBendtrans-72123.4170.300000108.6R212A210-R212 PolarHBondContact O-N 3.12Å; A210-R212 VanDerWaalsContact O-N 3.14Å
211P43.5Very low47.2Very low109 Ų109122.7 Ų122.771%0.70863%0.634SS**  trans-55.8125.6178.719.7-29.3000109.3K213P211-K213 VanDerWaalsContact C-N 3.33Å; P211-K213 PolarHBondContact O-N 2.82Å
212R44.1Very low46.4Very low241 Ų241125.6 Ų125.691%0.90965%0.645SS**  trans-57.892.6178-76.1176.8163.1170.2-5.4109.2A210 T214A210-R212 PolarHBondContact O-N 3.12Å; A210-R212 VanDerWaalsContact O-N 3.14Å; R212-T214 PolarHBondContact O-N 2.79Å; R212-T214 VanDerWaalsContact O-N 3.07Å
213K45.1Very low45.6Very low146 Ų146126.6 Ų126.664%0.63566%0.657SS**  trans-67.3106.8171.6-72.2-174.4177.5-177.10107.6P211P211-K213 VanDerWaalsContact C-N 3.33Å; P211-K213 PolarHBondContact O-N 2.82Å
214T51.5Low44.6Very low93 Ų93131.3 Ų131.357%0.57168%0.675SS**  trans-68.1152.5172.352.60000109.2R212 A216 Q217R212-T214 PolarHBondContact O-N 2.79Å; R212-T214 VanDerWaalsContact O-N 3.07Å; T214-A216 PolarHBondContact O-N 3.34Å; T214-Q217 WeakPolarHBondContact O-CB 3.36Å; T214-Q217 PolarHBondContact O-N 3.37Å
215F43.9Very low43.7Very low175 Ų175134.3 Ų134.377%0.76869%0.685SS**G310 helixtrans-51.5-27.3-176.1-166.1-98.3000113.8Q217F215-Q217 VanDerWaalsContact C-N 3.32Å; F215-Q217 PolarHBondContact O-N 3.48Å
216A45.3Very low42.9Very low74 Ų74135.4 Ų135.461%0.61270%0.697SS**G310 helixtrans-68-25.9175.900000114.1T214T214-A216 PolarHBondContact O-N 3.34Å
217Q45.4Very low42Very low108 Ų108132.6 Ų132.651%0.50570%0.701SS.*G310 helixtrans-83.4-16-178.4-125.6178.11.700113.3T214 F215 F219T214-Q217 WeakPolarHBondContact O-CB 3.36Å; T214-Q217 PolarHBondContact O-N 3.37Å; F215-Q217 VanDerWaalsContact C-N 3.32Å; F215-Q217 PolarHBondContact O-N 3.48Å; Q217-F219 PolarHBondContact O-N 3.06Å
218H47.2Very low41.1Very low129 Ų129129.7 Ų129.760%0.59770%0.697SS**G310 helixtrans-69.7-17.7174.7-87.5-82.3000113.1
219F41.3Very low40.2Very low172 Ų172131.9 Ų131.975%0.75471%0.709SS**SBendtrans-123.94.6-175.2-65.9-77.2000114.6Q217Q217-F219 PolarHBondContact O-N 3.06Å
220S37.6Very low39.7Very low83 Ų83131.1 Ų131.158%0.5871%0.714SS**  trans-100.7-4.5-17868.70000115.8V222S220-V222 PolarHBondContact O-N 2.8Å
221T38Very low39.2Very low116 Ų116136.1 Ų136.171%0.71273%0.727SS**  trans-8690.1166.9240000110.1P223T221-P223 WeakPolarHBondContact O-CD 3.37Å
222V36.5Very low38.7Very low124 Ų124137.9 Ų137.975%0.75273%0.731SS**  trans-52.8120.6153.9177.90000106.6S220 N224S220-V222 PolarHBondContact O-N 2.8Å; V222-N224 PolarHBondContact O-N 3.48Å
223P37.6Very low38.1Very low113 Ų113138.5 Ų138.573%0.73473%0.733SS**  trans-66.6107.5-176.924.2-30.4000108.9T221 R225T221-P223 WeakPolarHBondContact O-CD 3.37Å; P223-R225 PolarHBondContact O-N 3.23Å; P223-R225 VanDerWaalsContact O-N 3.16Å
224N32.9Very low37.4Very low149 Ų149136.1 Ų136.180%0.79774%0.735SS**  trans-56.9120161.2-89-22.9000107.4V222 L226V222-N224 PolarHBondContact O-N 3.48Å; N224-L226 PolarHBondContact O-N 3.4Å
225R30.7Very low36.6Very low244 Ų244137.7 Ų137.792%0.92175%0.747SS**  trans-11.793.3168.5-78.2176.5167.9172.8-4.2112.7P223 T227P223-R225 PolarHBondContact O-N 3.23Å; P223-R225 VanDerWaalsContact O-N 3.16Å; R225-T227 PolarHBondContact O-N 3.43Å
226L35.6Very low36.1Very low168 Ų168138.9 Ų138.988%0.8875%0.752SS**  trans-78.599.8158.6-75.9170.5000105.7N224 A228N224-L226 PolarHBondContact O-N 3.4Å; L226-A228 PolarHBondContact O-N 2.78Å
227T31.6Very low35.4Very low131 Ų131144.5 Ų144.580%0.80476%0.762SS**  trans-40.4123.2162.5-41.10000108.5R225R225-T227 PolarHBondContact O-N 3.43Å
228A33.4Very low35Very low79 Ų79146.1 Ų146.165%0.65378%0.78SS**  trans-53.8135.3176.300000109.4L226 S230L226-A228 PolarHBondContact O-N 2.78Å; A228-S230 PolarHBondContact O-N 3.43Å
229P36.1Very low34.1Very low131 Ų131145.1 Ų145.185%0.85178%0.783SS**  trans-65.1105.2170.526.3-29.9000108E231P229-E231 PolarHBondContact O-N 3.45Å
230S30.7Very low33.5Very low109 Ų109144.2 Ų144.276%0.76279%0.786SS**  trans-77102.2163.754.20000107.6A228A228-S230 PolarHBondContact O-N 3.43Å
231E35.5Very low33.3Very low164 Ų164146.1 Ų146.177%0.76680%0.799SS**  trans-168.697.1158.7-109.6162.1-156.800109.8P229 W233P229-E231 PolarHBondContact O-N 3.45Å; E231-W233 PolarHBondContact O-N 3.03Å
232D32.1Very low32.9Very low147 Ų147146.5 Ų146.579%0.78681%0.807SS**  trans39.472.9132.3-58.6-26.2000118.4S234D232-S234 VanDerWaalsContact C-N 3.35Å
233W31.6Very low32.6Very low253 Ų253144.2 Ų144.296%0.95881%0.808SS**  trans-99.466.1149.8-71.673.4000109.4E231E231-W233 PolarHBondContact O-N 3.03Å
234S31.7Very low32.3Very low97 Ų97144.4 Ų144.468%0.67881%0.812SS**  trans-79.4125.5162.6-67.70000108.7D232 K236D232-S234 VanDerWaalsContact C-N 3.35Å; S234-K236 PolarHBondContact O-N 3Å
235P34.2Very low32.1Very low125 Ų125149.1 Ų149.181%0.81282%0.819SS**  trans-65.8111.9179.923.3-29.7000110.1K237P235-K237 PolarHBondContact O-N 3.07Å
236K33.8Very low32.3Very low200 Ų200143.5 Ų143.587%0.8782%0.817SS**  trans-59.5107.7170.3-102.8177.8173.9174.50109.2S234 T238S234-K236 PolarHBondContact O-N 3Å; K236-T238 PolarHBondContact O-N 2.99Å
237K30.9Very low32Very low192 Ų192144.5 Ų144.584%0.83581%0.814SS**  trans-52.7114.4158.1-79.7-179.3173.8-178.20108.5P235P235-K237 PolarHBondContact O-N 3.07Å
238T35.5Very low31.8Very low142 Ų142143.1 Ų143.187%0.87181%0.81SS**  trans-97.895.7159.331.70000106.6K236K236-T238 PolarHBondContact O-N 2.99Å
239T28.4Very low32Very low108 Ų108146.6 Ų146.666%0.66382%0.817SS**  trans-81.8137.1166.913.90000109.5
240D29.4Very low31.5Very low153 Ų153149.6 Ų149.682%0.81882%0.817SS**  trans74.7106.9153.6-50-26.8000119.7
241S33.8Very low31.9Very low124 Ų124152.7 Ų152.787%0.86782%0.824SS**  -155.7128.1108.969.50000111.8
242S29Very low31.4Very low124 Ų124149.8 Ų149.887%0.86782%0.818SS**  trans-77.7149.3173.452.90000112.4
243G29.1Very low31.2Very low75 Ų75149.8 Ų149.877%0.77382%0.818SS**  trans-17096.3165.800000115.3
244S31.7Very low31.9Very low118 Ų118142.5 Ų142.583%0.82580%0.803SS**  trans52.6106.5151.5-700000120.7
245R28.4Very low31.7Very low248 Ų248146 Ų14694%0.93681%0.813SS**  52.5108.683.8-77.3-171.9172.2-172.8-0.3115.6
246S35.8Very low31.8Very low126 Ų126144 Ų14488%0.88182%0.815SS**  -154125.5126.6-168.80000110.2
247K29.4Very low31.6Very low189 Ų189145.8 Ų145.882%0.82282%0.816SS**  trans-97.7157.4179-83.2177.4171.7179.80109.4
248S27.3Very low31.6Very low101 Ų101148.2 Ų148.271%0.70682%0.82SS**  trans63123.4148.759.30000118.8
249N37.3Very low31.3Very low153 Ų153146.6 Ų146.682%0.81881%0.814SS**  -165.3115.3107.5-84.2-28.5000110.8
250F25.7Very low31.2Very low194 Ų194146.8 Ų146.885%0.85182%0.82SS**  trans-68.6134.1153-95.9-97.9000108.2
251L38.5Very low31.4Very low173 Ų173145.3 Ų145.391%0.90682%0.816SS**  trans-138.7132.2152.6-94.6172.1000109.9
252V25.4Very low31.1Very low104 Ų104147.9 Ų147.963%0.6382%0.815SS**  trans-109.4156.3-177.6157.20000107.7
253N28.2Very low31.1Very low146 Ų146147 Ų14778%0.78181%0.809SS**  trans95.5155.8160.6-81.5-9.5000119.9
254P46.2Very low31.2Very low100 Ų100152.4 Ų152.465%0.64981%0.811SS**  cis-143.6169.3-26.935.8-16.4000116.2
255L28.3Very low31.2Very low172 Ų172151.3 Ų151.390%0.90180%0.804SS**  trans27.8115.8141.4-70.2148.1000121
256G36.7Very low31.3Very low81 Ų81144.7 Ų144.784%0.83579%0.79SS**  trans-135.9118.5155.800000111.2
257R28Very low31.3Very low238 Ų238147.6 Ų147.690%0.89879%0.787SS**  trans-70.6144.8-178.1-64.2177.8173-162.7-1.5113
258R32.4Very low31.3Very low243 Ų243142.9 Ų142.992%0.91778%0.778SS**  172.8117.5120.7-93.6170.1-177.6-131.71.6113.5
259S28.5Very low31.6Very low108 Ų108145.6 Ų145.676%0.75579%0.785SS**  trans45.3115.7141.962.50000123
260S26.7Very low31.2Very low113 Ų113147 Ų14779%0.7979%0.786SS**  55.7110.4122.1-1610000119.6
261V32.7Very low31.6Very low121 Ų121143 Ų14373%0.73378%0.78SS**  -173.3115.197.2160.10000106.5S263V261-S263 PolarHBondContact O-N 2.8Å
262E27.1Very low31.5Very low178 Ų178140.1 Ų140.183%0.83277%0.774SS**  trans-78.4109.6175.6-82.1166.9120.800110.7
263S30.6Very low31.8Very low107 Ų107142.9 Ų142.975%0.74879%0.785SS**  trans-110101.7157.5-61.60000107.5V261 S265V261-S263 PolarHBondContact O-N 2.8Å; S263-S265 PolarHBondContact O-N 2.98Å
264K29.4Very low32Very low187 Ų187139.8 Ų139.881%0.81378%0.779SS**  trans-62.694175.4-69.5172.3177.7174.10109.9V266K264-V266 PolarHBondContact O-N 3.12Å
265S31.9Very low31.1Very low96 Ų96147 Ų14767%0.67179%0.794SS**  trans-89.290.3158.6177.70000107.7S263S263-S265 PolarHBondContact O-N 2.98Å
266V32.2Very low31.2Very low108 Ų108149.9 Ų149.966%0.65579%0.793SS**  trans-72126.1164.9-169.20000105.8K264K264-V266 PolarHBondContact O-N 3.12Å
267F34Very low30.7Very low187 Ų187151.3 Ų151.382%0.8279%0.79SS**  trans86.563.9178.7-53.6-76.9000118
268S31.2Very low30.8Very low91 Ų91145.6 Ų145.664%0.63679%0.787SS**  trans-138.795.8138.573.20000109.3
269N32.8Very low30.9Very low157 Ų157140.5 Ų140.584%0.8478%0.782SS**  trans178.169.4158.1-86.6-20.7000107.7P271N269-P271 WeakPolarHBondContact O-CD 3.42Å
270Q29.1Very low30.9Very low182 Ų182138 Ų13885%0.8577%0.773SS**  trans-92.8103.6157.5-79-76.7-28.500105.8S272Q270-S272 PolarHBondContact O-N 2.97Å
271P34.9Very low30.8Very low110 Ų110137.5 Ų137.571%0.71477%0.77SS**  trans-66.1131.5174.926.5-31.2000109.1N269 L273N269-P271 WeakPolarHBondContact O-CD 3.42Å; P271-L273 PolarHBondContact O-N 2.84Å
272S34.8Very low30.6Very low113 Ų113141 Ų14179%0.7978%0.775SS**  trans-47.4121.717251.30000110.9Q270 A274Q270-S272 PolarHBondContact O-N 2.97Å; S272-A274 VanDerWaalsContact C-N 3.27Å; S272-A274 PolarHBondContact O-N 2.97Å
273L32.7Very low30.4Very low163 Ų163139.8 Ų139.885%0.85378%0.775SS**  trans-60.184.8171.3-78.5149.5000110.2P271P271-L273 PolarHBondContact O-N 2.84Å
274A31.3Very low30.2Very low80 Ų80140.2 Ų140.266%0.66178%0.776SS**  trans-85.3112.4160.100000107.4S272 R276S272-A274 VanDerWaalsContact C-N 3.27Å; S272-A274 PolarHBondContact O-N 2.97Å; A274-R276 PolarHBondContact O-N 2.88Å
275W28Very low29.8Very low251 Ų251136.1 Ų136.195%0.95177%0.772SS**  trans-60.595.4173-66.583.6000109.3
276R30Very low29.6Very low233 Ų233139.8 Ų139.888%0.87978%0.782SS**  trans-91.1117163.8-84.6-177.1166.2-105.30.1107.9A274 S278A274-R276 PolarHBondContact O-N 2.88Å; R276-S278 PolarHBondContact O-N 3.06Å
277S27.3Very low29Very low111 Ų111141.5 Ų141.578%0.77679%0.788SS**  trans-56.6103.7168.354.20000109.6V279S277-V279 PolarHBondContact O-N 3.04Å
278S28.8Very low28.7Very low119 Ų119136.8 Ų136.883%0.83278%0.783SS**  trans-87.694.4172.1-161.50000108.4R276 G280R276-S278 PolarHBondContact O-N 3.06Å; S278-G280 PolarHBondContact O-N 2.98Å
279V34.7Very low28.4Very low135 Ų135138.5 Ų138.582%0.81879%0.79SS**  trans-76.5100160.4-169.30000105.1S277 S281S277-V279 PolarHBondContact O-N 3.04Å; V279-S281 PolarHBondContact O-N 3.06Å; V279-S281 VanDerWaalsContact O-N 3.08Å
280G28.4Very low28Very low55 Ų55137 Ų13757%0.56779%0.787SS**  trans-64.6105.9178.400000110.4S278 F282S278-G280 PolarHBondContact O-N 2.98Å; G280-F282 PolarHBondContact O-N 3.18Å
281S25.7Very low27.8Very low103 Ų103136.8 Ų136.872%0.7279%0.786SS**  trans-78.7108.2167.4-163.50000108.1V279 N283V279-S281 PolarHBondContact O-N 3.06Å; V279-S281 VanDerWaalsContact O-N 3.08Å; S281-N283 PolarHBondContact O-N 3.28Å
282F27.9Very low27.9Very low194 Ų194136.2 Ų136.285%0.85178%0.782SS**  trans-78.898169.7-90.5-89.5000108.8G280 C284G280-F282 PolarHBondContact O-N 3.18Å; F282-C284 PolarHBondContact O-N 3.01Å
283N23.5Very low27.6Very low153 Ų153138.4 Ų138.482%0.81879%0.79SS**  trans-78.794.8161.5-81.1-26.7000108.6S281S281-N283 PolarHBondContact O-N 3.28Å
284C25.4Very low27.3Very low116 Ų116133.9 Ų133.978%0.78478%0.783SS**  trans-95.1100.5159.8-79.50000108.4F282F282-C284 PolarHBondContact O-N 3.01Å
285S21Very low27Very low102 Ų102134.7 Ų134.771%0.71379%0.79SS**  trans-70.9123.5166-168.80000109.2
286L28.2Very low27.1Very low172 Ų172129.7 Ų129.790%0.90179%0.786SS**  trans-138.485.6162.9-112.1151.8000106.7
287D20.3Very low27.5Very low145 Ų145123.5 Ų123.578%0.77578%0.777SS**  trans-69.7130.6160.6-83.2-43000108.5
288A26.9Very low27.3Very low87 Ų87123.4 Ų123.472%0.71977%0.771SS**  167.2139124.200000113.2
289T25.4Very low27.3Very low128 Ų128129.8 Ų129.879%0.78578%0.777SS**  trans74.7101.2152.313.30000117.1
290V23.9Very low26.8Very low126 Ų126131 Ų13176%0.76477%0.774SS**  75.8117.660.3-179.50000114.1
291E25.1Very low27Very low177 Ų177136.7 Ų136.783%0.82779%0.791SS**  trans93136.4157.9-74.2-69.4122.800122.6
292P37Very low26.9Very low98 Ų98136.4 Ų136.464%0.63679%0.788SS**  trans-114.6148.6-173.839.6-24.7000114.6
293V27.6Very low26.8Very low159 Ų159138.3 Ų138.396%0.96479%0.79SS**  trans-150.2128.7164.9-177.70000112.5
294G27.5Very low27.2Very low68 Ų68137.5 Ų137.570%0.70180%0.795SS**  trans95.6102.8161.500000114.6
295A24Very low27.3Very low97 Ų97136.8 Ų136.880%0.80279%0.791SS**  cis60.8125.435.800000115.2
296V29.9Very low27.4Very low145 Ų145140.4 Ų140.488%0.87980%0.797SS**  trans116138.2155.8179.40000116
297P39.3Very low27.7Very low104 Ų104140.4 Ų140.468%0.67580%0.796SS**  -135.8-170.5-118.950.8-38.8000117
298T22.6Very low27.9Very low109 Ų109138.3 Ų138.367%0.66979%0.788SS**  trans53113.5146-37.70000120.4Q300T298-Q300 HydrophobicContact CG2-CG 4.33Å
299R29.3Very low27.9Very low252 Ų252141.2 Ų141.295%0.95179%0.792SS**  trans-131.5102.9138-82.4-169.6174.5-160.2-1.5110.2
300Q24.2Very low28.1Very low160 Ų160139.9 Ų139.975%0.74879%0.788SS**  trans-72.3130.2158.1-75.5-172.5-38.200108.7T298T298-Q300 HydrophobicContact CG2-CG 4.33Å
301L32.4Very low28.2Very low176 Ų176140.5 Ų140.592%0.92179%0.787SS**  trans-116.2100.9157.2-75.3172.9000107.1
302S23.6Very low28.3Very low96 Ų96140.7 Ų140.767%0.67179%0.785SS**  trans-96.2151.8165.9-56.20000109.3
303R25.5Very low28.2Very low234 Ų234143.4 Ų143.488%0.88379%0.793SS**  trans96.2105.3172.9-63.4-175.7174.4178.7-1116
304C31.7Very low28.6Very low137 Ų137144.1 Ų144.193%0.92679%0.786SS**  -150.2137.8106.3-1020000110.1
305S28.2Very low28.5Very low101 Ų101145.5 Ų145.571%0.70679%0.785SS**  trans-86.4152.9-165.2-53.80000113.2
306Q23.9Very low28.7Very low178 Ų178146.5 Ų146.583%0.83278%0.781SS**  trans15.2120.3138.1-69.3170.6-2500118.3
307I33.1Very low28.8Very low172 Ų172148.3 Ų148.388%0.88279%0.785SS**  trans-126.5116.3142.1-59.5175.6000106.9
308T25.1Very low28.5Very low100 Ų100148.9 Ų148.961%0.61379%0.787SS**  trans-96160.6168.741.20000110.1
309N27.3Very low28.6Very low148 Ų148150.9 Ų150.979%0.79179%0.793SS**  trans89138.8166.7-52.5-23.8000114.7
310S28Very low28.7Very low100 Ų100150.8 Ų150.870%0.69979%0.793SS**  cis-174.9148.68.934.40000109.8
311D27.2Very low28.9Very low140 Ų140149.4 Ų149.475%0.74980%0.796SS**  trans43.2125.8136.7-67.7-49.3000124.5
312K27.3Very low28.9Very low181 Ų181145.9 Ų145.979%0.78779%0.792SS**  44.7112.8129.8-72.3175.6173.3172.60120.1
313L35.5Very low29Very low154 Ų154151.3 Ų151.381%0.80680%0.803SS**  trans-163.8131.3131.2-69.7-174.7000105.1
314H34.9Very low29.2Very low174 Ų174145 Ų14581%0.80680%0.795SS**  cis-15414932.7-84.7-78.1000111
315S24.9Very low28.9Very low98 Ų98148 Ų14869%0.68580%0.795SS**  trans-89.6167.4169.763.60000112.6
316T28.4Very low29Very low117 Ų117146.6 Ų146.672%0.71880%0.797SS**  trans70.9107150.853.40000120.1
317L31.6Very low29Very low183 Ų183147.2 Ų147.296%0.95880%0.8SS**  trans-136.6123130.8-143.7104.3000109.4
318T33.3Very low29Very low117 Ų117144.5 Ų144.572%0.71880%0.796SS**  trans-87.4162-168.938.80000114.3
319D25.8Very low29.1Very low151 Ų151145.8 Ų145.881%0.80780%0.804SS**  trans-19.5133.9163.8-77-47.3000118.1
320R30.8Very low29.2Very low249 Ų249146.4 Ų146.494%0.9481%0.807SS**  trans-119.993.5152.2-86.3-174169.9177.5-2.2109.5
321T27.7Very low29.2Very low132 Ų132146.2 Ų146.281%0.8181%0.812SS**  trans-67.2123.4152.438.30000109.8
322A33.4Very low29.1Very low102 Ų102143.1 Ų143.184%0.84381%0.813SS**  trans-125.793.3159.900000108.3
323K24.9Very low29.2Very low209 Ų209139.3 Ų139.391%0.90981%0.809SS**  trans-99121.3158.7-84-179.5173.6179.20106.9
324S31.1Very low29Very low103 Ų103142.5 Ų142.572%0.7281%0.812SS**  trans-165106.2160.1550000107.3
325H25.6Very low28.7Very low198 Ų198142.3 Ų142.392%0.91782%0.816SS**  61.5124.299.5-91.6-66.7000115
326G28.4Very low29Very low72 Ų72144.4 Ų144.474%0.74282%0.824SS**  trans171.663.9170.400000112.9
327E24.2Very low29.1Very low191 Ų191144.5 Ų144.589%0.89383%0.827SS**  trans-66.3129.5154.5-72169.3147.200108.2
328S33.3Very low29Very low115 Ų115144.9 Ų144.980%0.80482%0.821SS**  trans-141.1110.4159.657.40000110.4
329T27.6Very low29.1Very low128 Ų128144.6 Ų144.679%0.78582%0.821SS**  trans-48140.2157.845.80000112.8
330N29.3Very low29.2Very low161 Ų161146.7 Ų146.786%0.86182%0.823SS**  trans-160.6122.8138-99.5-30.5000112.4
331A29.2Very low29.3Very low95 Ų95144.4 Ų144.479%0.78582%0.82SS**  trans34.3122.7147.300000118.7
332G24.3Very low29.3Very low76 Ų76144 Ų14478%0.78482%0.818SS**  cis77.77935.400000111.3
333S28.6Very low29Very low100 Ų100149 Ų14970%0.69982%0.82SS**  trans-169.2140.7147.352.60000112.4
334Y32.7Very low29.2Very low222 Ų222143.9 Ų143.987%0.87181%0.811SS**  trans80.672.8171.7-52.9-71.9000118.8
335L27.8Very low29.4Very low170 Ų170144.5 Ų144.589%0.8981%0.812SS**  trans-55127.9138.5-73.4153.5000110.9
336V30.5Very low29.5Very low142 Ų142141.8 Ų141.886%0.86181%0.814SS**  trans-164.7141.2142.3163.40000107.6
337P31.1Very low29.5Very low119 Ų119146.4 Ų146.477%0.77382%0.817SS**PPolyproline II helix-103.9160.9-127.436.8-34000116.9
338K30.1Very low30Very low190 Ų190144.7 Ų144.783%0.82681%0.809SS**PPolyproline II helixtrans-52.7133.8175.8-69.1170.3176.7172.60112.6F340K338-F340 PolarHBondContact O-N 3.47Å
339P34.4Very low29.9Very low111 Ų111147.2 Ų147.272%0.72181%0.812SS**PPolyproline II helixtrans-72.3125.5169.528.8-30.8000110.2F341P339-F341 PolarHBondContact O-N 3.29Å
340F28.7Very low30.2Very low196 Ų196149 Ų14986%0.8681%0.809SS**  trans-66.1115167.1-75.8-92.4000108.9K338 V342K338-F340 PolarHBondContact O-N 3.47Å; F340-V342 PolarHBondContact O-N 3.33Å; F340-V342 VanDerWaalsContact O-N 3.13Å
341F32.2Very low30.2Very low200 Ų200150.9 Ų150.988%0.87781%0.809SS**  trans-74.299.9162.6-84-84.6000108.4P339 K343P339-F341 PolarHBondContact O-N 3.29Å; F341-K343 PolarHBondContact O-N 3.49Å
342V29.1Very low30.5Very low124 Ų124151.9 Ų151.975%0.75281%0.81SS**  trans-64.7114.6166176.20000107.7F340F340-V342 PolarHBondContact O-N 3.33Å; F340-V342 VanDerWaalsContact O-N 3.13Å
343K26.4Very low30.6Very low207 Ų207155.5 Ų155.590%0.981%0.807SS**  trans-69.1125.4161.3-74.6176.3175.5179.20107.6F341F341-K343 PolarHBondContact O-N 3.49Å
344S29.7Very low30.4Very low101 Ų101159 Ų15971%0.70681%0.805SS**  trans-143.9156.3172.494.20000109.6
345P35.4Very low30.1Very low116 Ų116157.1 Ų157.175%0.75380%0.796SS**  -126.8136.4-106.621.40.3000112.9E347P345-E347 PolarHBondContact O-N 3.47Å
346C27.6Very low30.3Very low141 Ų141155.3 Ų155.395%0.95379%0.787SS**  trans-96.878.9165.2-69.10000109.6
347E28.4Very low30.1Very low170 Ų170153.7 Ų153.779%0.79478%0.783SS**  trans-142.9104.5155.7-84.2-150.8167.200108.9P345P345-E347 PolarHBondContact O-N 3.47Å
348E33.2Very low30.1Very low155 Ų155154 Ų15472%0.72478%0.782SS**  trans-144.581.5147-108.7-170.4150.100108.4K350E348-K350 PolarHBondContact O-N 3.1Å; E348-K350 IonicContact OE1-NZ 3.92Å; E348-K350 PolarHBondContact OE1-NZ 2.94Å
349L31.2Very low29.9Very low167 Ų167151.9 Ų151.987%0.87478%0.78SS**  trans-68.7100.1154.4-77.7165.2000107.7
350K35.2Very low30Very low165 Ų165153.1 Ų153.172%0.71779%0.785SS**  trans-112.7108.2163.2-88.6176.4176.3151.50110.6E348E348-K350 PolarHBondContact O-N 3.1Å; E348-K350 IonicContact OE1-NZ 3.92Å; E348-K350 PolarHBondContact OE1-NZ 2.94Å
351K29.2Very low29.6Very low202 Ų202151.4 Ų151.488%0.87878%0.78SS**  trans-62.6132162.3-70.2165.4174.2172.20110.3
352S34.6Very low29.8Very low115 Ų115147.2 Ų147.280%0.80477%0.773SS**  trans-153.597.1147.749.60000105.4
353Q25.7Very low29.5Very low152 Ų152148.1 Ų148.171%0.7177%0.769SS**  62.297.661.9-160.5161.6-15.400115
354R24.8Very low30.1Very low175 Ų175147.4 Ų147.466%0.6677%0.768SS**  trans90.9130.7136.5-89.5-174.5178.2-172.6-0.6121.4
355R27.5Very low29.9Very low181 Ų181149.6 Ų149.668%0.68377%0.767SS**  trans79.6138.3133.1-78.2-173-173.8-179-3.9116
356D30.8Very low29.5Very low132 Ų132150 Ų15071%0.70677%0.767SS**  cis-152.4139.112.9-75.2-47.4000106.4
357S26.1Very low29.6Very low109 Ų109148.7 Ų148.776%0.76276%0.76SS**  55.6132.785.2-1540000117.2
358V32.4Very low29.3Very low124 Ų124148.1 Ų148.175%0.75276%0.762SS**  trans116.5123.6152.1-169.70000116.7
359D26Very low29.1Very low147 Ų147149.4 Ų149.479%0.78677%0.768SS**  trans-55.6152.7-177.7-53-74000116
360T36.5Very low29.1Very low136 Ų136146.9 Ų146.983%0.83476%0.759SS**  trans-149.795.3148.5-37.50000109.5
361E20.3Very low28.6Very low161 Ų161145.2 Ų145.275%0.75276%0.762SS**  trans-76.5146.7150.1-97.2-146.9152.400109.5
362P35.4Very low28.6Very low112 Ų112144.5 Ų144.573%0.72776%0.762SS**  trans-120.7111.2143.430.1-16.3000110.4
363E23.6Very low28.1Very low143 Ų143147.6 Ų147.667%0.66876%0.764SS**  trans-55.2128154.4-66.3-180140.700109.6
364H37.8Very low28.2Very low192 Ų192145 Ų14589%0.88977%0.769SS**  trans-133.6111.9151.3-99.6-59.2000111.1
365H26.7Very low28.5Very low146 Ų146142.2 Ų142.268%0.67678%0.776SS**  trans-56.6143.2173.5-88.1-86.3000115.1
366V26.7Very low28.5Very low126 Ų126138.5 Ų138.576%0.76478%0.778SS**  68.1111.5129.8-174.90000118
367S29.4Very low28.4Very low113 Ų113139.4 Ų139.479%0.7978%0.783SS**  -167110.4109.751.60000111.2
368N22.5Very low28.8Very low158 Ų158141 Ų14185%0.84578%0.783SS**  trans-84.6118.5156.3-71.9-42.6000106.3
369H28.8Very low28.8Very low182 Ų182142.3 Ų142.384%0.84379%0.785SS**  trans-165.2132.4146.2-115.9-71.7000113
370T30.2Very low29.1Very low114 Ų114140.7 Ų140.770%0.69979%0.785SS**  trans88.991.3149.5-42.20000117.1Q372T370-Q372 PolarHBondContact O-N 3.25Å
371V26.5Very low29Very low129 Ų129144 Ų14478%0.78279%0.788SS**  trans-42.6119.3148.2176.80000110.3
372Q28.4Very low29.8Very low187 Ų187141.9 Ų141.987%0.87479%0.791SS**  trans-120.2123152.5-101.5-176.1-600108T370T370-Q372 PolarHBondContact O-N 3.25Å
373E23.6Very low29.7Very low180 Ų180141.8 Ų141.884%0.84179%0.793SS**  trans-68.8155.5174.3-71.4175.3130.600112
374A27.2Very low30.5Very low98 Ų98143.4 Ų143.481%0.8181%0.806SS**  trans73.2100.415300000118.7
375S32.4Very low30.2Very low117 Ų117137.7 Ų137.782%0.81880%0.8SS**  -168.8125.399.7660000110.8
376S26.1Very low30.9Very low103 Ų103136 Ų13672%0.7281%0.811SS**  trans-61134.9156.5-59.80000109.2
377D30.2Very low31.5Very low151 Ų151133 Ų13381%0.80781%0.806SS**  173.9150.6129.9-80.9-20.2000111.1
378D33.9Very low32.4Very low143 Ų143134.2 Ų134.277%0.76580%0.803SS**  trans8780.8162.5-58.9-18.8000121.3
379L32.4Very low33.9Very low151 Ų151132.8 Ų132.879%0.79180%0.795SS**  4.1122.7122.7-66.3163.8000117.6
380S33Very low35Very low113 Ų113131.1 Ų131.179%0.7979%0.788SS**  trans-159.488.1141.933.50000110.9S382S380-S382 PolarHBondContact O-N 3.42Å
381F34.2Very low36.1Very low204 Ų204132.9 Ų132.990%0.89579%0.788SS**  trans-75.7107.5164.3-76.5-83.8000108.9
382S35.9Very low37.7Very low117 Ų117131.7 Ų131.782%0.81878%0.777SS**  trans-96.4119.6165.4-77.80000110.3S380S380-S382 PolarHBondContact O-N 3.42Å
383S34.4Very low39Very low111 Ų111127.7 Ų127.778%0.77676%0.759SS**  trans-64.3126175.254.50000112.6
384N39.4Very low40.8Very low176 Ų176128 Ų12894%0.94175%0.752SS**  trans-130.985.8159-86.5-21000108.1
385G33.2Very low42.1Very low73 Ų73129 Ų12975%0.75374%0.74SS**  trans-143.946.8-172.700000113.7
386A40.7Very low43.1Very low109 Ų109129.6 Ų129.690%0.90173%0.73SS**SBendtrans-124.516.6-176.900000115.3
387G40.1Very low44.5Very low65 Ų65132.8 Ų132.867%0.6773%0.726SS**SBendtrans-115.1-19.2-173.700000117.5
388L46.5Very low45.7Very low138 Ų138131.6 Ų131.672%0.72372%0.72SS**SBendtrans-99.1-17.7-165.6-73169.5000115.1
389D54.7Low46.5Very low127 Ų127133.7 Ų133.768%0.67972%0.717SS**Hα-helixtrans-78.3-32.8-171.1-68.5-23.8000114Q391 N392 E393D389-Q391 PolarHBondContact O-N 3.26Å; D389-N392 PolarHBondContact O-N 3.32Å; D389-E393 PolarHBondContact O-N 3.1Å
390Q53.2Low47.1Very low148 Ų148133.8 Ų133.869%0.69272%0.717SS**Hα-helixtrans-71.3-28.4-178.9-78.9-169.73400113.9R394Q390-R394 PolarHBondContact O-N 3.03Å
391Q53.2Low47.2Very low151 Ų151132.1 Ų132.171%0.70671%0.706SS**Hα-helixtrans-74.7-36.3176.8-98.3-167.2-35.100111.9D389 Q395D389-Q391 PolarHBondContact O-N 3.26Å; Q391-Q395 PolarHBondContact O-N 2.75Å
392N58.5Low47.6Very low103 Ų103131.6 Ų131.655%0.55170%0.704SS**Hα-helixtrans-68.5-42.8177.5-108.6-6.7000111.7D389 R394 Q395 E396D389-N392 PolarHBondContact O-N 3.32Å; N392-R394 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.42Å; N392-Q395 PolarHBondContact O-N 3.42Å; N392-E396 PolarHBondContact O-N 2.99Å; N392-E396 VanDerWaalsContact O-N 3.11Å
393E56.9Low47.7Very low104 Ų104135.2 Ų135.249%0.48671%0.705SS.*Hα-helixtrans-62.4-36.1177.4-104.8-157.4119.700113.1D389 R397D389-E393 PolarHBondContact O-N 3.1Å; E393-R397 WeakPolarHBondContact O-CG 3.32Å; E393-R397 PolarHBondContact O-N 3.48Å; E393-R397 IonicContact OE1-CZ 3.91Å; E393-R397 IonicContact OE1-NE 3.73Å; E393-R397 IonicContact OE1-NH2 3.46Å; E393-R397 PolarHBondContact OE1-NH2 2.76Å
394R61.3Low47.9Very low185 Ų185133.7 Ų133.770%0.69869%0.694SS**Hα-helixtrans-70.7-32.9177.6-76.1-174.2179.8-159.32.2112.6Q390 N392Q390-R394 PolarHBondContact O-N 3.03Å; N392-R394 VanDerWaalsContact C-N 3.32Å; N392-R394 PolarHBondContact O-N 3.42Å
395Q54.9Low47.9Very low120 Ų120134.4 Ų134.456%0.56169%0.689SS**Hα-helixtrans-72.6-37.2175.7-83.6-170.5-0.500112.4Q391 N392 N398 R399Q391-Q395 PolarHBondContact O-N 2.75Å; N392-Q395 PolarHBondContact O-N 3.42Å; Q395-N398 PolarHBondContact O-N 2.8Å; Q395-R399 PolarHBondContact O-N 3.15Å
396E52.2Low47.9Very low129 Ų129138.5 Ų138.560%0.60369%0.688SS**Hα-helixtrans-70.2-39.7179.6-70.6-160.5157.100113N392 N398 R399 L400N392-E396 PolarHBondContact O-N 2.99Å; N392-E396 VanDerWaalsContact O-N 3.11Å; E396-N398 VanDerWaalsContact C-N 3.29Å; E396-N398 PolarHBondContact O-N 2.69Å; E396-R399 PolarHBondContact O-N 3.24Å; E396-L400 PolarHBondContact O-N 3.06Å
397R56.6Low47.5Very low171 Ų171138.3 Ų138.365%0.64568%0.675SS**Hα-helixtrans-64.5-32.4176.7-69.4-175.6-166.1-179.28.1112.9E393E393-R397 WeakPolarHBondContact O-CG 3.32Å; E393-R397 PolarHBondContact O-N 3.48Å; E393-R397 IonicContact OE1-CZ 3.91Å; E393-R397 IonicContact OE1-NE 3.73Å; E393-R397 IonicContact OE1-NH2 3.46Å; E393-R397 PolarHBondContact OE1-NH2 2.76Å
398N54.7Low47.2Very low126 Ų126139.8 Ų139.867%0.67468%0.675SS**Hα-helixtrans-74.4-31.9177-82.3-24000112.9Q395 E396 L400 S401Q395-N398 PolarHBondContact O-N 2.8Å; E396-N398 VanDerWaalsContact C-N 3.29Å; E396-N398 PolarHBondContact O-N 2.69Å; N398-L400 VanDerWaalsContact C-N 3.34Å; N398-L400 PolarHBondContact O-N 3.09Å; N398-S401 PolarHBondContact O-OG 3.29Å
399R50Low46.7Very low186 Ų186142 Ų14270%0.70268%0.68SS**Hα-helixtrans-71.2-25.4178.4-79-177.4167.2159.9-0.7114Q395 E396Q395-R399 PolarHBondContact O-N 3.15Å; E396-R399 PolarHBondContact O-N 3.24Å
400L45.6Very low45.7Very low153 Ų153143.2 Ų143.280%0.80169%0.685SS**THydrogen-bonded Turntrans-96.35.6-175.8-68.6169.4000114.5E396 N398 F402E396-L400 PolarHBondContact O-N 3.06Å; N398-L400 VanDerWaalsContact C-N 3.34Å; N398-L400 PolarHBondContact O-N 3.09Å; L400-F402 PolarHBondContact O-N 2.97Å
401S35.1Very low45Very low79 Ų79143.5 Ų143.555%0.55269%0.691SS**  trans-95.145.3178.774.20000113.9N398 K403N398-S401 PolarHBondContact O-OG 3.29Å; S401-K403 VanDerWaalsContact C-N 3.33Å; S401-K403 PolarHBondContact O-N 3.25Å
402F43.1Very low44Very low193 Ų193142.1 Ų142.185%0.84669%0.688SS**  trans-72.393.9164.6-78.7-80.6000109.4L400 S404L400-F402 PolarHBondContact O-N 2.97Å; F402-S404 VanDerWaalsContact C-N 3.35Å; F402-S404 PolarHBondContact O-N 3.41Å
403K37.8Very low42.9Very low193 Ų193144 Ų14484%0.83970%0.698SS**  trans-56.694.6167-73.4175.3171.1175.20109.2S401 K405S401-K403 VanDerWaalsContact C-N 3.33Å; S401-K403 PolarHBondContact O-N 3.25Å; K403-K405 PolarHBondContact O-N 2.94Å
404S38.7Very low41.7Very low79 Ų79145.4 Ų145.455%0.55271%0.709SS**  trans-58.21031631730000108F402 H406F402-S404 VanDerWaalsContact C-N 3.35Å; F402-S404 PolarHBondContact O-N 3.41Å; S404-H406 PolarHBondContact O-N 3.5Å; S404-H406 PolarHBondContact OG-CD2 3.5Å; S404-H406 VanDerWaalsContact OG-CD2 3.3Å; S404-H406 PolarHBondContact OG-CE1 3.38Å; S404-H406 PolarHBondContact OG-NE2 3.04Å
405K39Very low40.4Very low191 Ų191145 Ų14583%0.8372%0.715SS**  trans-70.486.7168.2-74.8-177.9179.6178.70107.4K403 V407K403-K405 PolarHBondContact O-N 2.94Å; K405-V407 PolarHBondContact O-N 3.04Å
406H33.1Very low39.4Very low159 Ų159148.6 Ų148.674%0.73673%0.729SS**  trans-64.899.3164.8-70.1-77.8000108S404 S408S404-H406 PolarHBondContact O-N 3.5Å; S404-H406 PolarHBondContact OG-CD2 3.5Å; S404-H406 VanDerWaalsContact OG-CD2 3.3Å; S404-H406 PolarHBondContact OG-CE1 3.38Å; S404-H406 PolarHBondContact OG-NE2 3.04Å; H406-S408 VanDerWaalsContact C-N 3.26Å; H406-S408 PolarHBondContact O-N 3.32Å; H406-S408 VanDerWaalsContact O-N 3.13Å
407V31.8Very low38.2Very low105 Ų105151.7 Ų151.764%0.63674%0.743SS**  trans-81.382.5166.1-177.30000106.7K405 F409K405-V407 PolarHBondContact O-N 3.04Å; V407-F409 HydrophobicContact CG1-CE1 4.31Å; V407-F409 HydrophobicContact CG1-CE2 4.18Å; V407-F409 HydrophobicContact CG1-CZ 4.01Å; V407-F409 PolarHBondContact O-N 3.03Å
408S33.8Very low37.1Very low96 Ų96152.8 Ų152.867%0.67176%0.756SS**  trans-76.4112.9165.241.90000108.4H406 L410H406-S408 VanDerWaalsContact C-N 3.26Å; H406-S408 PolarHBondContact O-N 3.32Å; H406-S408 VanDerWaalsContact O-N 3.13Å; S408-L410 PolarHBondContact O-N 3.17Å
409F36.6Very low35.8Very low185 Ų185155 Ų15581%0.81176%0.762SS**  trans-70.1105.9165.5-60.5-84.9000107.7V407 L411V407-F409 HydrophobicContact CG1-CE1 4.31Å; V407-F409 HydrophobicContact CG1-CE2 4.18Å; V407-F409 HydrophobicContact CG1-CZ 4.01Å; V407-F409 PolarHBondContact O-N 3.03Å; F409-L411 PolarHBondContact O-N 3.24Å; F409-L411 VanDerWaalsContact O-N 3.15Å
410L34Very low34.7Very low152 Ų152152 Ų15280%0.79676%0.759SS**  trans-62.8108.3161.7-91.8144.4000107.2S408 N412S408-L410 PolarHBondContact O-N 3.17Å; L410-N412 PolarHBondContact O-N 3.41Å; L410-N412 VanDerWaalsContact O-N 3.11Å
411L38.2Very low34.1Very low154 Ų154150.4 Ų150.481%0.80676%0.758SS**  trans-65.8102.9159.3-80.9157.4000105.9F409 N413F409-L411 PolarHBondContact O-N 3.24Å; F409-L411 VanDerWaalsContact O-N 3.15Å; L411-N413 VanDerWaalsContact C-N 3.3Å; L411-N413 PolarHBondContact O-N 2.9Å
412N32.6Very low33.6Very low122 Ų122152.7 Ų152.765%0.65276%0.764SS**  trans-60.698.6166.8-73.8-7.9000107.4L410 D414L410-N412 PolarHBondContact O-N 3.41Å; L410-N412 VanDerWaalsContact O-N 3.11Å; N412-D414 PolarHBondContact O-N 3.05Å
413N35.3Very low32.8Very low141 Ų141149.4 Ų149.475%0.75476%0.764SS**  trans-74.172.7159.2-76.3-22.2000107.1L411 Q415L411-N413 VanDerWaalsContact C-N 3.3Å; L411-N413 PolarHBondContact O-N 2.9Å; N413-Q415 PolarHBondContact O-N 2.96Å
414D31.2Very low32.1Very low135 Ų135147.1 Ų147.172%0.72276%0.761SS**  trans-74.565.2161.9-69.1-33.5000107.6N412 K416N412-D414 PolarHBondContact O-N 3.05Å; D414-K416 VanDerWaalsContact C-N 3.28Å; D414-K416 PolarHBondContact O-N 3.48Å; D414-K416 VanDerWaalsContact O-N 3.17Å
415Q34.9Very low31.9Very low177 Ų177149.6 Ų149.683%0.82777%0.773SS**  trans-76.991.2158.8-87-174.3-5.600106.3N413 E417N413-Q415 PolarHBondContact O-N 2.96Å; Q415-E417 PolarHBondContact O-N 3.46Å
416K33.1Very low31.1Very low194 Ų194146.1 Ų146.184%0.84377%0.772SS**  trans-63.1113.8156.8-73.7-169.5173.3-172.50107.2D414 E418D414-K416 VanDerWaalsContact C-N 3.28Å; D414-K416 PolarHBondContact O-N 3.48Å; D414-K416 VanDerWaalsContact O-N 3.17Å; K416-E418 PolarHBondContact O-N 3.34Å; K416-E418 VanDerWaalsContact O-N 3.13Å
417E27.8Very low30.9Very low194 Ų194143 Ų14391%0.90777%0.774SS**  trans-49.5108.5158.3-65.9177.3144.100108.4Q415Q415-E417 PolarHBondContact O-N 3.46Å
418E33.1Very low30.8Very low194 Ų194143 Ų14391%0.90779%0.785SS**  trans-107.8117.9156.4-100.8-175170.900107.6K416K416-E418 PolarHBondContact O-N 3.34Å; K416-E418 VanDerWaalsContact O-N 3.13Å
419E27.1Very low30.8Very low172 Ų172143.4 Ų143.480%0.80479%0.794SS**  trans-57.9138.9-179.6-90.6177.4124.200114.5
420L27.5Very low30.4Very low124 Ų124144.8 Ų144.865%0.64980%0.8SS**  trans76.8156.6136.4-67.2168.7000119.3
421P33.3Very low30Very low120 Ų120141 Ų14178%0.77980%0.798SS**  cis-128.2158.613.133.4-13.6000117.2
422N24.2Very low29.9Very low127 Ų127140.8 Ų140.868%0.67980%0.802SS**  trans-42.3130.8169.1-75.4-37.8000114.6
423C25.7Very low29.9Very low123 Ų123142.3 Ų142.383%0.83181%0.81SS**  trans-121.390.7148.9-1050000108.5T425C423-T425 PolarHBondContact O-N 2.74Å
424N23.1Very low30Very low146 Ų146144.6 Ų144.678%0.78182%0.817SS**  trans-80.5104.1160.4-78.8-19.5000107.7
425T34Very low30.4Very low131 Ų131143.2 Ų143.280%0.80482%0.818SS**  trans-13196.3154.610000107.6C423C423-T425 PolarHBondContact O-N 2.74Å
426S23.8Very low30.7Very low117 Ų117142.2 Ų142.282%0.81881%0.813SS**  trans-71.7129.1161.942.80000109.3
427A28.9Very low30.9Very low95 Ų95139.2 Ų139.279%0.78581%0.811SS**  trans163.5103.2135.400000111.8
428A28.5Very low31.5Very low104 Ų104136.3 Ų136.386%0.8680%0.796SS**  trans38.5106.7133.600000120.5
429A34.5Very low32Very low104 Ų104135.3 Ų135.386%0.8678%0.783SS**  trans-155.2136.6130.400000110.4
430K28Very low33Very low215 Ų215133.6 Ų133.694%0.93578%0.779SS**  trans-78136.8-163-67.8172.8167.6179.30114.1
431G26Very low34.2Very low73 Ų73133.4 Ų133.475%0.75378%0.775SS**  63.599.1127.900000120
432V36.4Very low34.8Very low149 Ų149133.2 Ų133.290%0.90377%0.767SS**  trans-143.6129137.9-179.80000106.9
433D31.9Very low35.9Very low153 Ų153131.7 Ų131.782%0.81876%0.759SS**  trans-33.7121-167.1-81.2-48.5000117.3S435D433-S435 PolarHBondContact O-N 2.83Å
434E36.7Very low37Very low190 Ų190132.7 Ų132.789%0.88876%0.755SS**  trans-58.899.1158.7-74.8179.5157.500108.9Q436E434-Q436 VanDerWaalsContact C-N 3.27Å; E434-Q436 PolarHBondContact O-N 3.3Å
435S41Very low38.1Very low106 Ų106133.8 Ų133.874%0.74176%0.755SS**  trans-61.895.7162.9-58.10000107.4D433 T437D433-S435 PolarHBondContact O-N 2.83Å; S435-T437 PolarHBondContact O-N 3.45Å
436Q39.6Very low38.4Very low155 Ų155128.9 Ų128.972%0.72473%0.731SS**  trans-15.888.4171.9-127168.514.500112.8E434 F438E434-Q436 VanDerWaalsContact C-N 3.27Å; E434-Q436 PolarHBondContact O-N 3.3Å; Q436-F438 VanDerWaalsContact C-N 3.33Å; Q436-F438 HydrophobicContact CB-CE2 4.2Å; Q436-F438 WeakPolarHBondContact O-CD2 3.47Å; Q436-F438 PolarHBondContact O-N 2.71Å
437T37.9Very low39.4Very low132 Ų132126 Ų12681%0.8172%0.719SS**  trans-75.993.5172.124.80000106.3S435 R439S435-T437 PolarHBondContact O-N 3.45Å; T437-R439 PolarHBondContact O-N 3.15Å; T437-R439 VanDerWaalsContact O-N 3.09Å
438F40.1Very low40.3Very low132 Ų132128.7 Ų128.758%0.57972%0.72SS**  trans-57.9112179.6-82.4-88.9000110.5Q436Q436-F438 VanDerWaalsContact C-N 3.33Å; Q436-F438 HydrophobicContact CB-CE2 4.2Å; Q436-F438 WeakPolarHBondContact O-CD2 3.47Å; Q436-F438 PolarHBondContact O-N 2.71Å
439R44.4Very low41.3Very low173 Ų173129.5 Ų129.565%0.65371%0.714SS**  trans-76.5127.3166.5-73.7-160.6173.8177.61.3108.9T437 E441 D442T437-R439 PolarHBondContact O-N 3.15Å; T437-R439 VanDerWaalsContact O-N 3.09Å; R439-E441 PolarHBondContact O-N 3.11Å; R439-D442 PolarHBondContact O-N 2.98Å; R439-D442 VanDerWaalsContact O-N 3.09Å
440L48.6Very low42.4Very low136 Ų136127.8 Ų127.871%0.71269%0.694SS**THydrogen-bonded Turntrans-58.8-19.1178.8-140.197.9000112.8D442 L443L440-D442 PolarHBondContact O-N 3.17Å; L440-L443 WeakPolarHBondContact O-CB 3.5Å; L440-L443 PolarHBondContact O-N 3.13Å; L440-L443 VanDerWaalsContact O-N 3.1Å
441E52.1Low43.5Very low120 Ų120119.3 Ų119.356%0.56166%0.663SS**Hα-helixtrans-60.6-30.9176.6-62.3175.4-15300112.1R439 L443 L444 H445R439-E441 PolarHBondContact O-N 3.11Å; E441-L443 VanDerWaalsContact C-N 3.28Å; E441-L443 PolarHBondContact O-N 3.47Å; E441-L444 PolarHBondContact O-N 3.17Å; E441-H445 PolarHBondContact O-ND1 3.42Å
442D45.1Very low44.9Very low116 Ų116122.6 Ų122.662%0.6266%0.657SS**Hα-helixtrans-70.8-23.7176.8-65.3-22.9000112.5R439 L440 G446R439-D442 PolarHBondContact O-N 2.98Å; R439-D442 VanDerWaalsContact O-N 3.09Å; L440-D442 PolarHBondContact O-N 3.17Å; D442-G446 PolarHBondContact O-N 2.99Å
443L47.1Very low46Very low95 Ų95118.2 Ų118.250%0.49764%0.637SS.*Hα-helixtrans-75.8-24.9175-92.3108000113.2L440 E441 A451L440-L443 WeakPolarHBondContact O-CB 3.5Å; L440-L443 PolarHBondContact O-N 3.13Å; L440-L443 VanDerWaalsContact O-N 3.1Å; E441-L443 VanDerWaalsContact C-N 3.28Å; E441-L443 PolarHBondContact O-N 3.47Å; L443-A451 HydrophobicContact CD2-CB 3.8Å
444L49.3Very low47.4Very low145 Ų145116.4 Ų116.476%0.75962%0.621SS**Hα-helixtrans-83-26.3-179.2-71.9168.1000112.2E441E441-L444 PolarHBondContact O-N 3.17Å
445H47.2Very low48.8Very low169 Ų169112.6 Ų112.678%0.78261%0.606SS**Hα-helixtrans-89.7-21.8179.2-64.885000113.1E441E441-H445 PolarHBondContact O-ND1 3.42Å
446G39Very low50Low28 Ų28113.8 Ų113.829%0.28960%0.599SS.*SBendtrans-103.889.5176.800000112.3D442 T450D442-G446 PolarHBondContact O-N 2.99Å; G446-T450 PolarHBondContact O-OG1 3.35Å
447G46.3Very low51.4Low56 Ų56112 Ų11258%0.57759%0.59SS**  trans-35.8144.8-17600000116.3V449 T450G447-V449 PolarHBondContact O-N 3.37Å; G447-T450 PolarHBondContact O-N 3.46Å; G447-T450 VanDerWaalsContact O-N 3.12Å; G447-T450 PolarHBondContact O-OG1 2.92Å; G447-T450 VanDerWaalsContact O-OG1 3.14Å
448N46Very low52.6Low151 Ų151108.3 Ų108.381%0.80757%0.573SS**THydrogen-bonded Turntrans-23.6-24.6-173.3-67.3-19.4000120.3K452N448-K452 PolarHBondContact O-N 3.26Å
449V50.5Low53.7Low121 Ų121106.7 Ų106.773%0.73357%0.57SS**Hα-helixtrans-69.3-37.7178.6-171.60000111.3G447 K452 A453G447-V449 PolarHBondContact O-N 3.37Å; V449-K452 PolarHBondContact O-N 3.3Å; V449-A453 WeakPolarHBondContact O-CB 3.47Å; V449-A453 PolarHBondContact O-N 3.48Å
450T58.3Low54.6Low69 Ų69101.1 Ų101.142%0.42356%0.561SS.*Hα-helixtrans-68.8-38-177.7-19.30000112.1G446 G447 K454G446-T450 PolarHBondContact O-OG1 3.35Å; G447-T450 PolarHBondContact O-N 3.46Å; G447-T450 VanDerWaalsContact O-N 3.12Å; G447-T450 PolarHBondContact O-OG1 2.92Å; G447-T450 VanDerWaalsContact O-OG1 3.14Å; T450-K454 WeakPolarHBondContact O-CB 3.5Å; T450-K454 WeakPolarHBondContact O-CG 3.32Å; T450-K454 PolarHBondContact O-N 2.85Å
451A50.1Low55Low36 Ų3699.2 Ų99.230%0.29855%0.552SS.*Hα-helixtrans-66.8-43.8178.300000111.5L443 L455L443-A451 HydrophobicContact CD2-CB 3.8Å; A451-L455 WeakPolarHBondContact O-CB 3.48Å; A451-L455 PolarHBondContact O-N 2.82Å
452K55.6Low55.2Low142 Ų14298.3 Ų98.362%0.61755%0.55SS**Hα-helixtrans-68-42.4180-159.7178.7-176.4-178.50111.6N448 V449 L455 F456N448-K452 PolarHBondContact O-N 3.26Å; V449-K452 PolarHBondContact O-N 3.3Å; K452-L455 PolarHBondContact O-N 3.01Å; K452-F456 HydrophobicContact CD-CE2 4.39Å; K452-F456 HydrophobicContact CG-CD2 4.26Å; K452-F456 HydrophobicContact CG-CE2 3.85Å; K452-F456 WeakPolarHBondContact O-CD2 3.26Å; K452-F456 PolarHBondContact O-N 3.09Å; K452-F456 VanDerWaalsContact O-N 3.17Å
453A60.4Low55.6Low58 Ų58101 Ų10148%0.47956%0.556SS.*Hα-helixtrans-63.5-44.4176.700000112.1V449 L455 F456 E457V449-A453 WeakPolarHBondContact O-CB 3.47Å; V449-A453 PolarHBondContact O-N 3.48Å; A453-L455 PolarHBondContact O-N 3Å; A453-F456 PolarHBondContact O-N 3.14Å; A453-E457 PolarHBondContact O-N 3.31Å
454K60.7Low55.7Low114 Ų114102.5 Ų102.550%0.49657%0.565SS.*Hα-helixtrans-69.7-29.9177.6-74.6-174.3175.3-173.80113.3T450 F456 E457 A458T450-K454 WeakPolarHBondContact O-CB 3.5Å; T450-K454 WeakPolarHBondContact O-CG 3.32Å; T450-K454 PolarHBondContact O-N 2.85Å; K454-F456 VanDerWaalsContact C-N 3.35Å; K454-E457 PolarHBondContact O-N 3.12Å; K454-A458 WeakPolarHBondContact O-CB 3.39Å; K454-A458 PolarHBondContact O-N 3.1Å
455L66.1Low55.6Low110 Ų11098.9 Ų98.958%0.57655%0.552SS**Hα-helixtrans-64.7-39.8171.6-125.2153.6000111.4A451 K452 A453 L459A451-L455 WeakPolarHBondContact O-CB 3.48Å; A451-L455 PolarHBondContact O-N 2.82Å; K452-L455 PolarHBondContact O-N 3.01Å; A453-L455 PolarHBondContact O-N 3Å; L455-L459 HydrophobicContact CD2-CD1 4.07Å; L455-L459 HydrophobicContact CD2-CG 4.41Å; L455-L459 WeakPolarHBondContact O-CB 3.49Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L455-L459 PolarHBondContact O-N 3.39Å
456F64.9Low55.2Low132 Ų13295.7 Ų95.758%0.57955%0.548SS*.Hα-helixtrans-67.7-35.7173.7-77.5-64.9000112.7K452 A453 K454 L459 A460K452-F456 HydrophobicContact CD-CE2 4.39Å; K452-F456 HydrophobicContact CG-CD2 4.26Å; K452-F456 HydrophobicContact CG-CE2 3.85Å; K452-F456 WeakPolarHBondContact O-CD2 3.26Å; K452-F456 PolarHBondContact O-N 3.09Å; K452-F456 VanDerWaalsContact O-N 3.17Å; A453-F456 PolarHBondContact O-N 3.14Å; K454-F456 VanDerWaalsContact C-N 3.35Å; F456-L459 PolarHBondContact O-N 3.03Å; F456-A460 VanDerWaalsContact O-CB 3.32Å; F456-A460 WeakPolarHBondContact O-CB 3.31Å; F456-A460 PolarHBondContact O-N 3.09Å
457E69.1Low55.3Low117 Ų11798.8 Ų98.855%0.54757%0.566SS.*Hα-helixtrans-67.1-42.6175-167.5174.8-174.500112.1A453 K454 L459 A460 N461A453-E457 PolarHBondContact O-N 3.31Å; K454-E457 PolarHBondContact O-N 3.12Å; E457-L459 PolarHBondContact O-N 2.64Å; E457-A460 PolarHBondContact O-N 2.85Å; E457-N461 PolarHBondContact O-N 3.34Å; E457-N461 PolarHBondContact O-ND2 3.39Å
458A63.5Low54.6Low54 Ų54106.9 Ų106.945%0.44658%0.579SS.*Hα-helixtrans-61.4-44.817400000111.8K454 A460 N461 D462K454-A458 WeakPolarHBondContact O-CB 3.39Å; K454-A458 PolarHBondContact O-N 3.1Å; A458-A460 VanDerWaalsContact C-N 3.3Å; A458-A460 PolarHBondContact O-N 3.27Å; A458-N461 PolarHBondContact O-N 2.99Å; A458-D462 PolarHBondContact O-N 3.04Å
459L63.7Low54Low98 Ų98105.4 Ų105.451%0.51358%0.575SS.*Hα-helixtrans-67.7-28.7177.1-70.5170.1000113.2L455 F456 E457L455-L459 HydrophobicContact CD2-CD1 4.07Å; L455-L459 HydrophobicContact CD2-CG 4.41Å; L455-L459 WeakPolarHBondContact O-CB 3.49Å; L455-L459 VanDerWaalsContact O-CG 3.24Å; L455-L459 WeakPolarHBondContact O-CG 3.48Å; L455-L459 PolarHBondContact O-N 3.39Å; F456-L459 PolarHBondContact O-N 3.03Å; E457-L459 PolarHBondContact O-N 2.64Å
460A63.7Low52.9Low56 Ų56104.2 Ų104.246%0.46358%0.579SS.*Hα-helixtrans-73.6-38.5174.600000111.5F456 E457 A458 K463F456-A460 VanDerWaalsContact O-CB 3.32Å; F456-A460 WeakPolarHBondContact O-CB 3.31Å; F456-A460 PolarHBondContact O-N 3.09Å; E457-A460 PolarHBondContact O-N 2.85Å; A458-A460 VanDerWaalsContact C-N 3.3Å; A458-A460 PolarHBondContact O-N 3.27Å; A460-K463 PolarHBondContact O-N 3.45Å
461N56.1Low51.7Low97 Ų97106.4 Ų106.452%0.51959%0.592SS.*Hα-helixtrans-72.6-30.2178.5-70.9-23.5000112.9E457 A458 K463 N464 S465E457-N461 PolarHBondContact O-N 3.34Å; E457-N461 PolarHBondContact O-ND2 3.39Å; A458-N461 PolarHBondContact O-N 2.99Å; N461-K463 PolarHBondContact O-N 3.27Å; N461-N464 PolarHBondContact O-N 3.44Å; N461-N464 VanDerWaalsContact O-N 3.09Å; N461-S465 PolarHBondContact O-N 2.89Å
462D56.5Low50.7Low100 Ų100113 Ų11354%0.53562%0.622SS.*Hα-helixtrans-62-27.8174.3-91.3-11000113.3A458 N464 S465 S466A458-D462 PolarHBondContact O-N 3.04Å; D462-N464 VanDerWaalsContact C-N 3.29Å; D462-N464 PolarHBondContact O-N 3.13Å; D462-S465 PolarHBondContact O-OG 2.9Å; D462-S466 WeakPolarHBondContact O-CB 3.33Å; D462-S466 PolarHBondContact O-N 3.21Å
463K53.2Low49.5Very low172 Ų172112 Ų11275%0.74862%0.623SS**Hα-helixtrans-71.6-22.3176.1-71.5-167.3176.7-1750113.6A460 N461A460-K463 PolarHBondContact O-N 3.45Å; N461-K463 PolarHBondContact O-N 3.27Å
464N49Very low47.8Very low128 Ų128117.9 Ų117.968%0.68464%0.64SS**Hα-helixtrans-101.7-17.1177.8-75.3-9.2000113.4N461 D462N461-N464 PolarHBondContact O-N 3.44Å; N461-N464 VanDerWaalsContact O-N 3.09Å; D462-N464 VanDerWaalsContact C-N 3.29Å; D462-N464 PolarHBondContact O-N 3.13Å
465S46.9Very low46.3Very low69 Ų69123.8 Ų123.848%0.48366%0.659SS.*Hα-helixtrans-80.2-30.7173.475.40000112.1N461 D462 S467N461-S465 PolarHBondContact O-N 2.89Å; D462-S465 PolarHBondContact O-OG 2.9Å; S465-S467 VanDerWaalsContact C-N 3.27Å; S465-S467 PolarHBondContact O-N 2.98Å
466S40.7Very low44.6Very low101 Ų101122.8 Ų122.871%0.70666%0.662SS**THydrogen-bonded Turntrans-76-6.5-174.6-160.50000114.9D462D462-S466 WeakPolarHBondContact O-CB 3.33Å; D462-S466 PolarHBondContact O-N 3.21Å
467S39.2Very low42.8Very low93 Ų93126.4 Ų126.465%0.6568%0.677SS**THydrogen-bonded Turntrans-110.113.4-178.869.20000115.5S465S465-S467 VanDerWaalsContact C-N 3.27Å; S465-S467 PolarHBondContact O-N 2.98Å
468R33.4Very low40.7Very low227 Ų227124.5 Ų124.586%0.85769%0.689SS**SBendtrans-124.47.7177.3-70.5-17199-175.46.9116.5
469T32.1Very low39.6Very low119 Ų119127 Ų12773%0.7370%0.7SS**SBendtrans-135.9126.7173.343.50000111.2
470A28.7Very low37.7Very low97 Ų97127.2 Ų127.280%0.80271%0.71SS**SBendtrans102125.8176.500000113.9
471V32.7Very low36Very low115 Ų115135.9 Ų135.970%0.69773%0.731SS**  trans81.660.7175.3-150.60000115.5D473V471-D473 HydrophobicContact CG1-CB 4.44Å; V471-D473 VanDerWaalsContact CG1-OD2 3.31Å; V471-D473 WeakPolarHBondContact CG1-OD2 3.41Å
472N28.2Very low34.7Very low175 Ų175139.2 Ų139.294%0.93674%0.744SS**  trans-104.493.6131.5-144.77.9000106.4
473D30.5Very low33.2Very low120 Ų120139 Ų13964%0.64275%0.75SS**  trans-63.3143.9-177.6-93.6-37.6000111.9V471 R475V471-D473 HydrophobicContact CG1-CB 4.44Å; V471-D473 VanDerWaalsContact CG1-OD2 3.31Å; V471-D473 WeakPolarHBondContact CG1-OD2 3.41Å; D473-R475 PolarHBondContact O-N 3.42Å
474H25.7Very low31.9Very low182 Ų182138.7 Ų138.784%0.84376%0.757SS**  trans-40.2106157.3-66.2-82.9000111.9
475R28Very low31Very low237 Ų237140.6 Ų140.689%0.89476%0.759SS**  trans-120.385.8150.5-152.2174.8-170.4-162.92.1110.4D473D473-R475 PolarHBondContact O-N 3.42Å
476S30Very low30.1Very low90 Ų90144.5 Ų144.563%0.62977%0.774SS**  trans-9.8134.3139.754.40000117.4
477K29Very low29.6Very low208 Ų208145.4 Ų145.490%0.90478%0.781SS**  trans86.292.4146.8-65.8175.2179.3-174.90119.4
478G23Very low29.2Very low76 Ų76146.1 Ų146.178%0.78479%0.792SS**  94.3155.9120.300000119
479P42Very low29.2Very low106 Ų106139.1 Ų139.169%0.68878%0.783SS**  cis-123.5165.4-44.636.9-23.9000112.3W481P479-W481 PolarHBondContact O-N 3.3Å; P479-W481 VanDerWaalsContact O-N 3.1Å
480S23.3Very low28.9Very low104 Ų104142.3 Ų142.373%0.72779%0.79SS**  trans-25.1104.5161.1165.40000114.5
481W28.7Very low29.2Very low238 Ų238145.2 Ų145.290%0.90279%0.79SS**  trans-89107.4151.4-77.286.6000108.1P479P479-W481 PolarHBondContact O-N 3.3Å; P479-W481 VanDerWaalsContact O-N 3.1Å
482Q27.9Very low29Very low166 Ų166145 Ų14578%0.77679%0.794SS**  trans-56.1135.8164.9-72.2166.2-23.700109.8N484Q482-N484 PolarHBondContact O-N 2.88Å
483S24.4Very low29.2Very low97 Ų97141.1 Ų141.168%0.67878%0.78SS**  trans22.996.6142.3174.80000117
484N27.2Very low29.3Very low164 Ų164144.2 Ų144.288%0.87779%0.788SS**  trans-100.887.2142.4-98.4-18.1000107.7Q482Q482-N484 PolarHBondContact O-N 2.88Å
485K28.7Very low29.7Very low169 Ų169141.7 Ų141.774%0.73579%0.786SS**  trans-66.1148.4141.7-82.2177.81731780106.5
486D28.3Very low29.9Very low150 Ų150138.2 Ų138.280%0.80278%0.779SS**  trans9062.4175.7-46.9-25.5000115.8
487S30.9Very low29.7Very low120 Ų120141.9 Ų141.984%0.83979%0.786SS**  trans-147.254.9144.9-68.60000109.2
488A29.9Very low29.9Very low109 Ų109143 Ų14390%0.90179%0.785SS**SBendtrans-114.220.3170.600000111.9
489A33.7Very low30.4Very low79 Ų79145.1 Ų145.165%0.65378%0.783SS**SBendtrans-141.8134171.200000107.9
490Q27Very low30Very low187 Ų187147.8 Ų147.887%0.87479%0.791SS**SBendtrans8085.5-160.4-51.4177.66.300110.4
491I34Very low30.4Very low157 Ų157151.9 Ų151.981%0.80580%0.799SS**  -1509970.2-68.1138.4000108.2
492S28.9Very low30.6Very low112 Ų112151.9 Ų151.978%0.78380%0.799SS**  trans-119.195.8155.467.10000107.3
493S31.5Very low30.7Very low93 Ų93153.7 Ų153.765%0.6580%0.799SS**  trans165.567.916142.70000109.8
494F34Very low31.2Very low185 Ų185158.7 Ų158.781%0.81181%0.808SS**  trans-129.162.9149.1-91-79.4000108.1H496F494-H496 PolarHBondContact O-N 2.97Å; F494-H496 VanDerWaalsContact O-N 3.14Å
495T33.1Very low31.4Very low128 Ų128157.7 Ų157.779%0.78580%0.799SS**  trans-71.986.9153.442.70000107.8
496H32.9Very low31.7Very low164 Ų164154.7 Ų154.776%0.75980%0.799SS**  trans-112.689.5148.8-89.9-50.9000108.3F494 R498F494-H496 PolarHBondContact O-N 2.97Å; F494-H496 VanDerWaalsContact O-N 3.14Å; H496-R498 PolarHBondContact O-N 2.92Å
497E25.9Very low31.8Very low167 Ų167158.7 Ų158.778%0.7880%0.803SS**  trans-46.3117.4142.7-77.1175.4121.800109.4
498R33Very low31.9Very low233 Ų233159.3 Ų159.388%0.87980%0.797SS**  trans-138.481.3140.9-82.9-165.4176.3171.9-1108.7H496 N500H496-R498 PolarHBondContact O-N 2.92Å; R498-N500 PolarHBondContact O-N 2.93Å
499T33Very low32.2Very low119 Ų119164.9 Ų164.973%0.7380%0.796SS**  trans-17.4107.4144.639.20000114.2
500N33.5Very low32.2Very low163 Ų163170.4 Ų170.487%0.87281%0.808SS**  trans-144.233.3152.8-94-34.4000110.6R498 R502R498-N500 PolarHBondContact O-N 2.93Å; N500-R502 PolarHBondContact O-N 2.89Å
501Q31.7Very low32.6Very low189 Ų189166.2 Ų166.288%0.88380%0.8SS**  trans-75.6111.1154.1-78.9-171.9-11.100107R503Q501-R503 VanDerWaalsContact C-N 3.29Å; Q501-R503 PolarHBondContact O-N 3.33Å
502R33.9Very low32.6Very low238 Ų238168.6 Ų168.690%0.89880%0.8SS**  trans-56.699.4163.4-87.1-177.7177-177.6-1.4107.9N500 F504N500-R502 PolarHBondContact O-N 2.89Å; R502-F504 PolarHBondContact O-N 3.07Å; R502-F504 VanDerWaalsContact O-N 3.15Å
503R29.3Very low32.8Very low205 Ų205170.3 Ų170.377%0.77480%0.8SS**  trans-62.3103.6166.3-157.9178.7-168.6155.92.3106.7Q501 E505Q501-R503 VanDerWaalsContact C-N 3.29Å; Q501-R503 PolarHBondContact O-N 3.33Å; R503-E505 VanDerWaalsContact C-N 3.27Å; R503-E505 HydrophobicContact CB-CG 4.44Å; R503-E505 WeakPolarHBondContact CD-OE1 3.22Å; R503-E505 HydrophobicContact CG-CG 3.82Å; R503-E505 IonicContact NE-OE1 3.64Å; R503-E505 PolarHBondContact O-N 2.83Å; R503-E505 VanDerWaalsContact O-N 3.14Å
504F34.9Very low33Very low201 Ų201173.6 Ų173.688%0.88280%0.803SS**  trans-7495.2157.6-102.4-86.8000105.6R502 S506R502-F504 PolarHBondContact O-N 3.07Å; R502-F504 VanDerWaalsContact O-N 3.15Å; F504-S506 PolarHBondContact O-N 3.15Å
505E32.4Very low33.2Very low144 Ų144170 Ų17067%0.67380%0.8SS**  trans-68.4122.5168.1-67.5-172.4164.400108.5R503R503-E505 VanDerWaalsContact C-N 3.27Å; R503-E505 HydrophobicContact CB-CG 4.44Å; R503-E505 WeakPolarHBondContact CD-OE1 3.22Å; R503-E505 HydrophobicContact CG-CG 3.82Å; R503-E505 IonicContact NE-OE1 3.64Å; R503-E505 PolarHBondContact O-N 2.83Å; R503-E505 VanDerWaalsContact O-N 3.14Å
506S33Very low33.7Very low106 Ų106173.8 Ų173.874%0.74180%0.801SS**  trans-52.4130.5169.244.70000112.5F504F504-S506 PolarHBondContact O-N 3.15Å
507R32.1Very low33.9Very low233 Ų233172.4 Ų172.488%0.87980%0.798SS**  trans-169.3137.5143.2-104.9161.3-163.8-169.34.6111.4
508D32.7Very low34.2Very low134 Ų134171.4 Ų171.472%0.71780%0.798SS**SBendtrans8459.7157.6-45.8-21.4000119
509Y35.2Very low34.2Very low225 Ų225169.1 Ų169.188%0.88280%0.795SS**  trans-146.137.6137.4-88.4-71.3000111.8S511Y509-S511 PolarHBondContact O-N 2.68Å
510E35Very low34.2Very low196 Ų196174.7 Ų174.792%0.91680%0.802SS**  trans-82.369.9157.9-74.3-176168.500108.9
511S34.4Very low34.3Very low99 Ų99173.9 Ų173.969%0.69280%0.804SS**  trans-153.344.7167.8-780000111.3Y509Y509-S511 PolarHBondContact O-N 2.68Å
512Y34.7Very low34.2Very low206 Ų206170 Ų17081%0.80880%0.798SS**  trans-130.567.2149.8-82.6-75.2000108.4K514Y512-K514 VanDerWaalsContact C-N 3.28Å; Y512-K514 PolarHBondContact O-N 2.79Å
513N32.7Very low34.2Very low148 Ų148164.8 Ų164.879%0.79179%0.792SS**  trans-60.589.2165.9-163.2-3.4000108.6
514K35Very low34.4Very low162 Ų162161.1 Ų161.170%0.70480%0.795SS**  trans-98.180.8166.3-80.1-176.3179.6-178.60108.1Y512 W516Y512-K514 VanDerWaalsContact C-N 3.28Å; Y512-K514 PolarHBondContact O-N 2.79Å; K514-W516 PolarHBondContact O-N 2.89Å
515S37.9Very low34.2Very low109 Ų109162.2 Ų162.276%0.76279%0.793SS**THydrogen-bonded Turntrans-68.547.5-178.858.50000115.1
516W45.1Very low34.3Very low208 Ų208164.2 Ų164.279%0.78880%0.8SS**THydrogen-bonded Turntrans-129.6-0.7171.580.5-61.7000114.4K514K514-W516 PolarHBondContact O-N 2.89Å
517L36.4Very low34.3Very low135 Ų135167 Ų16771%0.70780%0.801SS**SBendtrans-114.758.8167.6-104.287.8000109.6
518D32Very low34.4Very low146 Ų146161.4 Ų161.478%0.78180%0.798SS**  trans-157.4131.1151.6-118.1-19.9000114.1
519K34.2Very low34.5Very low186 Ų186163.9 Ų163.981%0.80980%0.798SS**SBendtrans104.2106162.4-58.4171.8-174.8-177.70116.6
520R33Very low34.4Very low235 Ų235158.9 Ų158.989%0.88779%0.793SS**SBendtrans109.762.7152.1-56.7-178.6-174.7-167.71.6116.2
521T34.5Very low34.4Very low147 Ų147156 Ų15690%0.90278%0.783SS**  -164.6110.9125.64.20000110.6
522S30.2Very low34.5Very low108 Ų108156.6 Ų156.676%0.75578%0.783SS**  trans-70.1122.8165.357.90000110
523T33.9Very low34.3Very low127 Ų127154.1 Ų154.178%0.77978%0.778SS**  trans167.2140.713333.40000110R525T523-R525 PolarHBondContact O-N 2.91Å
524P32.5Very low34.1Very low129 Ų129157.2 Ų157.284%0.83878%0.781SS**  trans-85.4109.9-165.533.4-30.2000110.2
525R31.6Very low34Very low224 Ų224154.9 Ų154.985%0.84579%0.785SS**  trans-111.2111.7172-97.6-170.8171.5161.6-1.8110.6T523T523-R525 PolarHBondContact O-N 2.91Å
526F34.6Very low33.7Very low186 Ų186154.4 Ų154.482%0.81678%0.781SS**  trans46.296.4152.4-60.6-78.7000117.4S528F526-S528 PolarHBondContact O-N 2.98Å
527Q33.7Very low33.1Very low164 Ų164149.9 Ų149.977%0.76678%0.777SS**  trans-61.4100.9151.8-71.4176.6-16.400108.3Y529Q527-Y529 PolarHBondContact O-N 2.89Å
528S33.4Very low33.1Very low115 Ų115149.7 Ų149.780%0.80478%0.784SS**  trans-70106.9168.253.50000108.8F526F526-S528 PolarHBondContact O-N 2.98Å
529Y34Very low33.1Very low187 Ų187150 Ų15073%0.73379%0.785SS**  trans-66.5145.9165.5-73.1-89.2000110.1Q527 L531Q527-Y529 PolarHBondContact O-N 2.89Å; Y529-L531 PolarHBondContact O-N 2.92Å
530P34.5Very low32.9Very low119 Ų119147.2 Ų147.277%0.77378%0.784SS**  trans-65.3109.1-175.526.1-33000110.4T532P530-T532 PolarHBondContact O-N 2.84Å; P530-T532 VanDerWaalsContact O-N 3.09Å
531L34.5Very low32.9Very low136 Ų136144.3 Ų144.371%0.71278%0.78SS**  trans-66.9105.8170.1-161.769.8000107.5Y529 H533Y529-L531 PolarHBondContact O-N 2.92Å; L531-H533 VanDerWaalsContact C-N 3.33Å; L531-H533 PolarHBondContact O-CD2 3.46Å; L531-H533 PolarHBondContact O-N 3.29Å
532T35.3Very low32.6Very low112 Ų112144.7 Ų144.769%0.68778%0.776SS**  trans-62.193.9171.140.20000108.9P530 Y534P530-T532 PolarHBondContact O-N 2.84Å; P530-T532 VanDerWaalsContact O-N 3.09Å; T532-Y534 PolarHBondContact O-N 3.12Å
533H32.3Very low32.8Very low153 Ų153146.3 Ų146.371%0.70878%0.775SS**  trans-71.2108167.4-69.5-75.7000108.3L531 S535L531-H533 VanDerWaalsContact C-N 3.33Å; L531-H533 PolarHBondContact O-CD2 3.46Å; L531-H533 PolarHBondContact O-N 3.29Å; H533-S535 VanDerWaalsContact C-N 3.34Å; H533-S535 PolarHBondContact O-N 3.13Å
534Y28.1Very low32.7Very low214 Ų214145.7 Ų145.784%0.83977%0.771SS**  trans-63.298.7159.7-68-87.2000107.1T532 S536T532-Y534 PolarHBondContact O-N 3.12Å; Y534-S536 VanDerWaalsContact C-N 3.33Å; Y534-S536 PolarHBondContact O-N 3.45Å
535S33.2Very low32.7Very low113 Ų113144.9 Ų144.979%0.7976%0.763SS**  trans-70.696.3172.361.30000108.6H533 T537H533-S535 VanDerWaalsContact C-N 3.34Å; H533-S535 PolarHBondContact O-N 3.13Å; S535-T537 PolarHBondContact O-N 2.97Å
536S30.8Very low32.5Very low98 Ų98142.6 Ų142.669%0.68576%0.762SS**  trans-40.8127.7153.548.30000111Y534Y534-S536 VanDerWaalsContact C-N 3.33Å; Y534-S536 PolarHBondContact O-N 3.45Å
537T32.4Very low32.5Very low113 Ų113139 Ų13969%0.69376%0.76SS**SBendtrans50.9124.3161.256.60000117.7S535 N539S535-T537 PolarHBondContact O-N 2.97Å; T537-N539 PolarHBondContact O-N 3.09Å
538P35.4Very low32.3Very low132 Ų132136.3 Ų136.386%0.85776%0.76SS**  trans-61.1112177.126.7-32.4000109.6V540P538-V540 PolarHBondContact O-N 2.92Å
539N32.9Very low32.1Very low151 Ų151137.9 Ų137.981%0.80776%0.764SS**  trans-51.7123.7167.3-93.6-27.2000108.6T537 Q541T537-N539 PolarHBondContact O-N 3.09Å; N539-Q541 PolarHBondContact O-N 2.88Å
540V30.6Very low31.9Very low129 Ų129131.6 Ų131.678%0.78276%0.756SS**  trans-45.9111.2160.3177.10000106.8P538 L542P538-V540 PolarHBondContact O-N 2.92Å; V540-L542 VanDerWaalsContact C-N 3.32Å; V540-L542 PolarHBondContact O-N 3.39Å
541Q32.1Very low31.8Very low173 Ų173134 Ų13481%0.80876%0.762SS**  trans-66.4100.4168.6-72.2178.26.200106N539 I543N539-Q541 PolarHBondContact O-N 2.88Å; Q541-I543 VanDerWaalsContact C-N 3.27Å; Q541-I543 PolarHBondContact O-N 3.26Å
542L29.1Very low31.3Very low156 Ų156136.2 Ų136.282%0.81777%0.769SS**  trans-59.699.3159.5-82.5160.6000106V540 V544V540-L542 VanDerWaalsContact C-N 3.32Å; V540-L542 PolarHBondContact O-N 3.39Å; L542-V544 PolarHBondContact O-N 3.32Å
543I33.9Very low31.3Very low141 Ų141135.8 Ų135.872%0.72377%0.768SS**  trans-69.987.7166.1-58.9170.6000104.8Q541 T545Q541-I543 VanDerWaalsContact C-N 3.27Å; Q541-I543 PolarHBondContact O-N 3.26Å; I543-T545 PolarHBondContact O-N 3.32Å
544V30.8Very low31Very low115 Ų115133.4 Ų133.470%0.69777%0.769SS**  trans-67.497.9159.3-179.80000104.3L542 E546L542-V544 PolarHBondContact O-N 3.32Å; V544-E546 HydrophobicContact CG1-CG 4.37Å; V544-E546 PolarHBondContact O-N 3.37Å
545T33.5Very low31.3Very low111 Ų111128.9 Ų128.968%0.68176%0.763SS**  trans-68.796168.6-43.10000104.8I543 S547I543-T545 PolarHBondContact O-N 3.32Å; T545-S547 PolarHBondContact O-N 3.48Å
546E28.1Very low31Very low177 Ų177134.2 Ų134.283%0.82777%0.766SS**  trans-64.784.1161.8-69.6-176.8171.400106.3V544 S548V544-E546 HydrophobicContact CG1-CG 4.37Å; V544-E546 PolarHBondContact O-N 3.37Å; E546-S548 VanDerWaalsContact C-N 3.26Å; E546-S548 PolarHBondContact O-N 3.4Å
547S33.7Very low31.2Very low109 Ų109137.3 Ų137.376%0.76278%0.775SS**  trans-65.9100.1161.552.30000106.5T545T545-S547 PolarHBondContact O-N 3.48Å
548S29.6Very low31Very low109 Ų109137.3 Ų137.376%0.76278%0.78SS**  trans-38.3131.1167.31800000112.3E546E546-S548 VanDerWaalsContact C-N 3.26Å; E546-S548 PolarHBondContact O-N 3.4Å
549V29.2Very low31.2Very low147 Ų147136.6 Ų136.689%0.89178%0.775SS**  trans-24.1128.6153.3-177.50000113.2
550G28.9Very low31.3Very low56 Ų56138.9 Ų138.958%0.57778%0.781SS**  trans147.973165.300000112.4
551D33.3Very low31.5Very low169 Ų169138.5 Ų138.590%0.90478%0.779SS**  trans164.488.9136.8-77.5-15.4000109.3
552E24Very low31.6Very low182 Ų182133.9 Ų133.985%0.8578%0.778SS**  trans-78.7154.7149.9-126-155.2127.300107
553P35.8Very low31.8Very low103 Ų103136.4 Ų136.467%0.66978%0.778SS**  cis-146.1175.320.742.5-22.3000117.5
554S26.5Very low31.7Very low103 Ų103135.1 Ų135.172%0.7278%0.781SS**  trans80.6103.3136.7-161.10000119.3
555V34Very low32.1Very low120 Ų120135.2 Ų135.273%0.72779%0.787SS**  166.9115.694.1172.30000108.8
556R27Very low32.5Very low224 Ų224137.7 Ų137.785%0.84579%0.791SS**  trans22.6120.2143.7-61.8175.2171.2-170.2-4.1118.9
557D34.1Very low33.1Very low163 Ų163135.5 Ų135.587%0.87279%0.79SS**  -158.3148.997.9-91.3-26.7000111.8
558S28.2Very low33.5Very low114 Ų114139 Ų13980%0.79779%0.794SS**PPolyproline II helixtrans-65.7162.7-161.5-81.80000117
559P40.3Very low34Very low117 Ų117143 Ų14376%0.7680%0.798SS**PPolyproline II helixtrans-89.7122.1-17534.6-29000111.8
560E33.9Very low35Very low198 Ų198144.2 Ų144.293%0.92579%0.794SS**PPolyproline II helixtrans-89.3126.1163.6-79.9-164.3158.400110.9G562E560-G562 PolarHBondContact O-N 3.25Å
561T34.6Very low36.7Very low121 Ų121146.5 Ų146.574%0.74279%0.793SS**  trans-85.295.8-175.1-48.60000108.5Y563T561-Y563 HydrophobicContact CG2-CE2 4.39Å
562G34.9Very low37.9Very low76 Ų76146.5 Ų146.578%0.78479%0.788SS**  trans-102.6115.7173.400000111.5E560E560-G562 PolarHBondContact O-N 3.25Å
563Y33.3Very low39.5Very low210 Ų210148.1 Ų148.182%0.82479%0.786SS**  trans-69.9131.5-178.2-75.2-103.5000113.3T561T561-Y563 HydrophobicContact CG2-CE2 4.39Å
564S32.3Very low40.8Very low113 Ų113147.1 Ų147.179%0.7978%0.782SS**  trans47.5104.2135.9-150.10000120.4
565S39Very low42.3Very low118 Ų118150.8 Ų150.883%0.82578%0.78SS**  trans-143114.2139.849.50000111.6
566E41.5Very low43.3Very low162 Ų162150.4 Ų150.476%0.75777%0.773SS**  trans-2.2121155-138.388.3-174.500117.6
567T40.7Very low45.6Very low131 Ų131142.2 Ų142.280%0.80475%0.75SS**  trans58.274.5147.955.70000118.3
568Q41.6Very low47.4Very low182 Ų182140.4 Ų140.485%0.8574%0.74SS**  trans-120.626.9163.3-150.4-175.8-8.300114.1
569F40.6Very low49Very low194 Ų194141 Ų14185%0.85173%0.731SS**  trans-117.256.6171.6-69.4-80.1000111.3D571F569-D571 PolarHBondContact O-N 3.27Å
570E50.3Low50.3Low172 Ų172141.6 Ų141.680%0.80472%0.724SS**  trans-74.891.8143.4-79.8-141.2158.200106.4E572E570-E572 PolarHBondContact O-N 3.33Å
571D63.9Low51.9Low105 Ų105138.1 Ų138.156%0.56171%0.706SS**  trans-39.9114.7171.6-93.8-26.7000109.8F569 R573 S574F569-D571 PolarHBondContact O-N 3.27Å; D571-R573 PolarHBondContact O-N 3.48Å; D571-S574 WeakPolarHBondContact O-CB 3.5Å; D571-S574 PolarHBondContact O-N 2.98Å
572E58.6Low53.2Low168 Ų168134.9 Ų134.979%0.78569%0.691SS**Hα-helixtrans-53.8-25.2178.1-65.4177.5156.200111.9E570 S574 R575 L576E570-E572 PolarHBondContact O-N 3.33Å; E572-S574 PolarHBondContact O-N 2.96Å; E572-R575 PolarHBondContact O-N 2.79Å; E572-L576 PolarHBondContact O-N 2.83Å; E572-L576 VanDerWaalsContact O-N 3.17Å
573R58.3Low54.5Low217 Ų217137.9 Ų137.982%0.81969%0.685SS**Hα-helixtrans-63.7-34.5172.4-67.6-175.8175.9-164-0.2113.5D571 S577D571-R573 PolarHBondContact O-N 3.48Å; R573-S577 WeakPolarHBondContact O-CB 3.24Å; R573-S577 PolarHBondContact O-N 3.03Å; R573-S577 VanDerWaalsContact O-N 3.13Å
574S63.8Low55.7Low82 Ų82134.4 Ų134.457%0.57368%0.678SS**Hα-helixtrans-70.6-36.1175-91.10000111.9D571 E572 S577 L578D571-S574 WeakPolarHBondContact O-CB 3.5Å; D571-S574 PolarHBondContact O-N 2.98Å; E572-S574 PolarHBondContact O-N 2.96Å; S574-S577 WeakPolarHBondContact O-CB 3.45Å; S574-S577 PolarHBondContact O-N 2.75Å; S574-L578 PolarHBondContact O-N 2.68Å
575R56.5Low57Low180 Ų180137.2 Ų137.268%0.67968%0.676SS**Hα-helixtrans-68.6-41178.6-163.7175.8159125.9-2.6112E572 S577 L578 M579E572-R575 PolarHBondContact O-N 2.79Å; R575-S577 VanDerWaalsContact C-N 3.34Å; R575-L578 PolarHBondContact O-N 2.82Å; R575-M579 PolarHBondContact O-N 2.82Å; R575-M579 VanDerWaalsContact O-N 3.12Å
576L56.6Low57.3Low111 Ų111137.6 Ų137.658%0.58167%0.669SS**Hα-helixtrans-66-34.8172.5-71.7170.9000112.5E572 L578 M579 Q580E572-L576 PolarHBondContact O-N 2.83Å; E572-L576 VanDerWaalsContact O-N 3.17Å; L576-L578 VanDerWaalsContact C-N 3.35Å; L576-L578 PolarHBondContact O-N 2.91Å; L576-M579 PolarHBondContact O-N 3.33Å; L576-Q580 WeakPolarHBondContact O-CB 3.32Å; L576-Q580 WeakPolarHBondContact O-CG 3.47Å; L576-Q580 PolarHBondContact O-N 3.45Å
577S74.1Confident57.5Low52 Ų52135.6 Ų135.636%0.36466%0.662SS.*Hα-helixtrans-64.7-36.7174.7-169.20000112.5R573 S574 R575 K581R573-S577 WeakPolarHBondContact O-CB 3.24Å; R573-S577 PolarHBondContact O-N 3.03Å; R573-S577 VanDerWaalsContact O-N 3.13Å; S574-S577 WeakPolarHBondContact O-CB 3.45Å; S574-S577 PolarHBondContact O-N 2.75Å; R575-S577 VanDerWaalsContact C-N 3.34Å; S577-K581 WeakPolarHBondContact O-CB 3.09Å; S577-K581 WeakPolarHBondContact O-CG 3.39Å; S577-K581 PolarHBondContact O-N 3.04Å
578L71.8Confident57.7Low125 Ų125135.4 Ų135.465%0.65466%0.661SS**Hα-helixtrans-70.3-42.8175.6-171.465.6000111.9S574 R575 L576 K581 A582S574-L578 PolarHBondContact O-N 2.68Å; R575-L578 PolarHBondContact O-N 2.82Å; L576-L578 VanDerWaalsContact C-N 3.35Å; L576-L578 PolarHBondContact O-N 2.91Å; L578-K581 PolarHBondContact O-N 3.01Å; L578-A582 PolarHBondContact O-N 3.05Å
579M61.8Low57.8Low126 Ų126133 Ų13362%0.62166%0.658SS**Hα-helixtrans-63.6-41.8175.1-87.1-177.463.900112.3R575 L576 K581 A582 Q583R575-M579 PolarHBondContact O-N 2.82Å; R575-M579 VanDerWaalsContact O-N 3.12Å; L576-M579 PolarHBondContact O-N 3.33Å; M579-K581 VanDerWaalsContact C-N 3.32Å; M579-K581 PolarHBondContact O-N 3.36Å; M579-A582 PolarHBondContact O-N 3.21Å; M579-Q583 WeakPolarHBondContact O-CB 3.42Å; M579-Q583 PolarHBondContact O-N 3.13Å
580Q67.8Low57.7Low131 Ų131132.4 Ų132.461%0.61266%0.655SS**Hα-helixtrans-63.1-38.6174.5-76.4179.3-12.400112L576 Q583 M584L576-Q580 WeakPolarHBondContact O-CB 3.32Å; L576-Q580 WeakPolarHBondContact O-CG 3.47Å; L576-Q580 PolarHBondContact O-N 3.45Å; Q580-Q583 PolarHBondContact O-N 3.27Å; Q580-M584 PolarHBondContact O-N 2.92Å; Q580-M584 VanDerWaalsContact O-N 3.12Å
581K67.8Low57.7Low125 Ų125130.6 Ų130.654%0.54366%0.658SS.*Hα-helixtrans-65.4-39.8174.1-80.5177.6-179175.30112.4S577 L578 M579 F585S577-K581 WeakPolarHBondContact O-CB 3.09Å; S577-K581 WeakPolarHBondContact O-CG 3.39Å; S577-K581 PolarHBondContact O-N 3.04Å; L578-K581 PolarHBondContact O-N 3.01Å; M579-K581 VanDerWaalsContact C-N 3.32Å; M579-K581 PolarHBondContact O-N 3.36Å; K581-F585 WeakPolarHBondContact O-CD2 3.44Å; K581-F585 WeakPolarHBondContact O-CE2 3.16Å
582A61.9Low56.6Low53 Ų53136.2 Ų136.244%0.43867%0.672SS.*Hα-helixtrans-67.3-42.3175.700000111.5L578 M579 M584 F585 D586L578-A582 PolarHBondContact O-N 3.05Å; M579-A582 PolarHBondContact O-N 3.21Å; A582-M584 VanDerWaalsContact C-N 3.27Å; A582-M584 PolarHBondContact O-N 3.12Å; A582-F585 PolarHBondContact O-N 3.42Å; A582-D586 PolarHBondContact O-N 3.06Å
583Q61.7Low55.7Low139 Ų139133.6 Ų133.665%0.6567%0.667SS**Hα-helixtrans-67.2-25.3-179.3-155.6178.715.200113.2M579 Q580 F585 D586 I587M579-Q583 WeakPolarHBondContact O-CB 3.42Å; M579-Q583 PolarHBondContact O-N 3.13Å; Q580-Q583 PolarHBondContact O-N 3.27Å; Q583-F585 PolarHBondContact O-N 3.33Å; Q583-D586 PolarHBondContact O-N 3.49Å; Q583-I587 PolarHBondContact O-N 3.23Å
584M58.4Low55.1Low136 Ų136132.4 Ų132.467%0.6767%0.671SS**THydrogen-bonded Turntrans-61.8-27.9170.1-82.6-178.743.600113.3Q580 A582Q580-M584 PolarHBondContact O-N 2.92Å; Q580-M584 VanDerWaalsContact O-N 3.12Å; A582-M584 VanDerWaalsContact C-N 3.27Å; A582-M584 PolarHBondContact O-N 3.12Å
585F60.3Low54Low173 Ų173139 Ų13976%0.75968%0.683SS**THydrogen-bonded Turntrans-86.1-22.2177.6-64.6-74000112.8K581 A582 Q583K581-F585 WeakPolarHBondContact O-CD2 3.44Å; K581-F585 WeakPolarHBondContact O-CE2 3.16Å; A582-F585 PolarHBondContact O-N 3.42Å; Q583-F585 PolarHBondContact O-N 3.33Å
586D45.2Very low53.3Low125 Ų125137.4 Ų137.467%0.66869%0.688SS**  trans-89.85.1178.7-77.2-18.2000114.3A582 Q583 T588A582-D586 PolarHBondContact O-N 3.06Å; Q583-D586 PolarHBondContact O-N 3.49Å; D586-T588 PolarHBondContact O-N 3.35Å; D586-T588 PolarHBondContact O-OG1 3.11Å
587I46.8Very low52.7Low121 Ų121140.5 Ų140.562%0.62170%0.699SS**  trans-66.990.7167.6-50.1177.4000107.3Q583 V589Q583-I587 PolarHBondContact O-N 3.23Å; I587-V589 WeakPolarHBondContact O-CG2 3.38Å; I587-V589 PolarHBondContact O-N 3.21Å
588T43.5Very low51.2Low127 Ų127149.2 Ų149.278%0.77972%0.724SS**  trans-48.3101.6169.9-24.70000106.4D586 K590D586-T588 PolarHBondContact O-N 3.35Å; D586-T588 PolarHBondContact O-OG1 3.11Å; T588-K590 VanDerWaalsContact C-N 3.25Å; T588-K590 PolarHBondContact O-N 3.34Å
589V43.6Very low50.6Low130 Ų130153.5 Ų153.579%0.78873%0.732SS**  trans-65.892.3-177.2-177.80000106.7I587I587-V589 WeakPolarHBondContact O-CG2 3.38Å; I587-V589 PolarHBondContact O-N 3.21Å
590K38.7Very low50.3Low183 Ų183156.1 Ų156.180%0.79674%0.742SS**  trans-54124.7163.9-73.5-173.7177.4178.50106T588 R592T588-K590 VanDerWaalsContact C-N 3.25Å; T588-K590 PolarHBondContact O-N 3.34Å; K590-R592 VanDerWaalsContact C-N 3.31Å; K590-R592 PolarHBondContact O-N 3.42Å
591P50.2Low49.6Very low133 Ų133160.1 Ų160.186%0.86475%0.751SS**  trans-72.290.6-173.728.9-32.5000107.9
592R40.5Very low49.2Very low224 Ų224158.3 Ų158.385%0.84575%0.748SS**  trans-125.697.4178-158.4170.6-179.7171-0.1110.5K590K590-R592 VanDerWaalsContact C-N 3.31Å; K590-R592 PolarHBondContact O-N 3.42Å
593V41Very low48.9Very low113 Ų113160.7 Ų160.769%0.68576%0.761SS**  trans62.6102.3156.1-171.20000114.8R595V593-R595 PolarHBondContact O-N 3.28Å
594Q44.7Very low48.7Very low192 Ų192165 Ų16590%0.89777%0.772SS**  trans-52.689158.9-74.6179.1-19.500109.5N596Q594-N596 VanDerWaalsContact C-N 3.33Å; Q594-N596 PolarHBondContact O-N 3.26Å
595R41.2Very low48.6Very low219 Ų219162 Ų16283%0.82676%0.764SS**  trans-69.398.8163.3-85.1-175.7173146.5-2.7106.9V593 H597V593-R595 PolarHBondContact O-N 3.28Å; R595-H597 VanDerWaalsContact C-N 3.27Å; R595-H597 PolarHBondContact O-N 3.29Å; R595-H597 PolarHBondContact O-ND1 3.43Å
596N41.6Very low48.3Very low147 Ų147162.3 Ų162.379%0.78677%0.765SS**  trans-6.270.4161.1-66.9-37000115.8Q594 R598Q594-N596 VanDerWaalsContact C-N 3.33Å; Q594-N596 PolarHBondContact O-N 3.26Å; N596-R598 PolarHBondContact O-N 3.14Å; N596-R598 VanDerWaalsContact O-N 3.1Å
597H43.6Very low49.4Very low176 Ų176162.2 Ų162.282%0.81577%0.769SS**  trans-8278.5154.4-77.311.4000105.1R595 R599R595-H597 VanDerWaalsContact C-N 3.27Å; R595-H597 PolarHBondContact O-N 3.29Å; R595-H597 PolarHBondContact O-ND1 3.43Å; H597-R599 PolarHBondContact O-N 3.38Å
598R44.1Very low50.4Low235 Ų235164.2 Ų164.289%0.88778%0.776SS**  trans-56.192.7162.3-86.4-176.1163.3-169.9-3.9105.7N596 H600N596-R598 PolarHBondContact O-N 3.14Å; N596-R598 VanDerWaalsContact O-N 3.1Å; R598-H600 PolarHBondContact O-N 2.9Å
599R58.6Low51.9Low216 Ų216163.3 Ų163.382%0.81577%0.772SS**  trans-50117.7164.2-71.4-175.9177.8-158.9-0.6104.9H597 W601H597-R599 PolarHBondContact O-N 3.38Å; R599-W601 VanDerWaalsContact C-N 3.25Å; R599-W601 PolarHBondContact O-N 2.82Å
600H55.4Low53.5Low180 Ų180162.1 Ų162.183%0.83377%0.765SS**  trans-62.597.4175.9-162.6-46.8000105.6R598 D602R598-H600 PolarHBondContact O-N 2.9Å; H600-D602 PolarHBondContact O-N 3.09Å
601W52.7Low55.8Low215 Ų215156.6 Ų156.681%0.81475%0.747SS**  trans-62.1108.5173.5-78.596.9000105.8R599 S603R599-W601 VanDerWaalsContact C-N 3.25Å; R599-W601 PolarHBondContact O-N 2.82Å; W601-S603 PolarHBondContact O-N 3.16Å
602D59.9Low57.5Low88 Ų88156.5 Ų156.547%0.47174%0.735SS.*  trans-61.6108.3171.9-173.3-4.5000106.8H600 R604 S605H600-D602 PolarHBondContact O-N 3.09Å; D602-R604 PolarHBondContact O-N 2.94Å; D602-R604 VanDerWaalsContact OD1-CB 3.22Å; D602-R604 WeakPolarHBondContact OD1-CB 3.42Å; D602-R604 WeakPolarHBondContact OD1-CG 3.41Å; D602-R604 PolarHBondContact OD1-N 3.23Å; D602-S605 PolarHBondContact O-N 2.96Å; D602-S605 VanDerWaalsContact O-N 3.12Å; D602-S605 PolarHBondContact O-OG 3.48Å
603S54.3Low59.9Low103 Ų103147.9 Ų147.972%0.7272%0.716SS**G310 helixtrans-65.1-12.1-179.4-550000111.7W601W601-S603 PolarHBondContact O-N 3.16Å
604R59.3Low62.3Low229 Ų229146.3 Ų146.386%0.86470%0.703SS**G310 helixtrans-82.1-20.1176.4-57.9177.6168.7-171.3-3.3113.6D602 K606D602-R604 PolarHBondContact O-N 2.94Å; D602-R604 VanDerWaalsContact OD1-CB 3.22Å; D602-R604 WeakPolarHBondContact OD1-CB 3.42Å; D602-R604 WeakPolarHBondContact OD1-CG 3.41Å; D602-R604 PolarHBondContact OD1-N 3.23Å; R604-K606 VanDerWaalsContact C-N 3.25Å
605S55.1Low64.5Low73 Ų73142.4 Ų142.451%0.5169%0.688SS.*G310 helixtrans-87.15.2175.767.40000113.2D602 T607D602-S605 PolarHBondContact O-N 2.96Å; D602-S605 VanDerWaalsContact O-N 3.12Å; D602-S605 PolarHBondContact O-OG 3.48Å; S605-T607 PolarHBondContact O-N 3.05Å
606K54.5Low67Low179 Ų179138.1 Ų138.178%0.77868%0.675SS**  trans-72.474.2171-145.8175.7-170.8-177.10108.3R604 Q608R604-K606 VanDerWaalsContact C-N 3.25Å; K606-Q608 PolarHBondContact O-N 3.11Å; K606-Q608 VanDerWaalsContact O-N 3.12Å
607T68.3Low69.3Low124 Ų124134.1 Ų134.176%0.76166%0.659SS**PPolyproline II helixtrans-49.3121.8161.2510000105.9S605S605-T607 PolarHBondContact O-N 3.05Å
608Q68Low71.5Confident162 Ų162128.1 Ų128.176%0.75764%0.64SS**PPolyproline II helixtrans-52.4139175.9-71.1-155.9-8.800108.3K606 V610K606-Q608 PolarHBondContact O-N 3.11Å; K606-Q608 VanDerWaalsContact O-N 3.12Å; Q608-V610 PolarHBondContact O-N 3.09Å; Q608-V610 VanDerWaalsContact O-N 3.15Å
609P73.6Confident73.8Confident109 Ų109123 Ų12371%0.70862%0.624SS**PPolyproline II helixtrans-55127.5173.924.6-32.3000107.3T611P609-T611 WeakPolarHBondContact O-CG2 3.36Å; P609-T611 PolarHBondContact O-N 3.46Å
610V79.2Confident75.3Confident105 Ų105115.8 Ų115.864%0.63661%0.607SS**  trans-54115175.5177.80000107Q608 D614 L615Q608-V610 PolarHBondContact O-N 3.09Å; Q608-V610 VanDerWaalsContact O-N 3.15Å; V610-D614 HydrophobicContact CG1-CB 4.01Å; V610-L615 HydrophobicContact CG1-CD2 3.89Å; V610-L615 HydrophobicContact CG1-CG 3.88Å
611T86.3Confident77.1Confident66 Ų66114.1 Ų114.141%0.40560%0.597SS.*  trans-81159.7-178.565.90000109.7P609 G613 D614 L615P609-T611 WeakPolarHBondContact O-CG2 3.36Å; P609-T611 PolarHBondContact O-N 3.46Å; T611-G613 PolarHBondContact O-N 3.18Å; T611-G613 VanDerWaalsContact O-N 3.17Å; T611-D614 PolarHBondContact N-OD2 3.03Å; T611-D614 WeakPolarHBondContact O-CB 3.28Å; T611-D614 PolarHBondContact O-N 3.39Å; T611-D614 VanDerWaalsContact OG1-CG 3.22Å; T611-D614 PolarHBondContact OG1-N 3.13Å; T611-D614 PolarHBondContact OG1-OD2 3.3Å; T611-L615 PolarHBondContact O-N 3.09Å
612E86.6Confident78.9Confident132 Ų132108.6 Ų108.662%0.61758%0.583SS**Hα-helixtrans-58.2-28.2172.7-164-170.915200111.8L615 K616E612-L615 PolarHBondContact O-N 3.17Å; E612-K616 WeakPolarHBondContact O-CG 3.08Å; E612-K616 PolarHBondContact O-N 3.32Å; E612-K616 WeakPolarHBondContact OE1-CE 3.37Å; E612-K616 IonicContact OE1-NZ 2.68Å; E612-K616 PolarHBondContact OE1-NZ 3.21Å
613G90.9Very high80.4Confident43 Ų43108.9 Ų108.944%0.44358%0.582SS.*Hα-helixtrans-65.6-37.8173.900000113.5T611 L615 K616 S617T611-G613 PolarHBondContact O-N 3.18Å; T611-G613 VanDerWaalsContact O-N 3.17Å; G613-L615 VanDerWaalsContact C-N 3.35Å; G613-K616 PolarHBondContact O-N 3.43Å; G613-S617 WeakPolarHBondContact O-CB 3.28Å; G613-S617 PolarHBondContact O-N 2.79Å; G613-S617 PolarHBondContact O-OG 2.86Å
614D90.2Very high81.9Confident79 Ų79107.3 Ų107.342%0.42257%0.571SS.*Hα-helixtrans-68.2-36.8176.8-58.6-44.4000111.4V610 T611 S617 A618V610-D614 HydrophobicContact CG1-CB 4.01Å; T611-D614 PolarHBondContact N-OD2 3.03Å; T611-D614 WeakPolarHBondContact O-CB 3.28Å; T611-D614 PolarHBondContact O-N 3.39Å; T611-D614 VanDerWaalsContact OG1-CG 3.22Å; T611-D614 PolarHBondContact OG1-N 3.13Å; T611-D614 PolarHBondContact OG1-OD2 3.3Å; D614-S617 PolarHBondContact O-OG 2.92Å; D614-A618 WeakPolarHBondContact O-CB 3.31Å; D614-A618 PolarHBondContact O-N 2.95Å
615L91.8Very high83.3Confident110 Ų110100.2 Ų100.258%0.57655%0.549SS*.Hα-helixtrans-69.8-40175.6-65.1174.1000111.8V610 T611 E612 G613 K619V610-L615 HydrophobicContact CG1-CD2 3.89Å; V610-L615 HydrophobicContact CG1-CG 3.88Å; T611-L615 PolarHBondContact O-N 3.09Å; E612-L615 PolarHBondContact O-N 3.17Å; G613-L615 VanDerWaalsContact C-N 3.35Å; L615-K619 WeakPolarHBondContact O-CB 3.36Å; L615-K619 PolarHBondContact O-N 2.76Å
616K92.5Very high84.8Confident129 Ų129101.4 Ų101.456%0.56155%0.549SS*.Hα-helixtrans-65.7-41.3175.7-76.6175.4-175.7166.50111.9E612 G613 K619 S620E612-K616 WeakPolarHBondContact O-CG 3.08Å; E612-K616 PolarHBondContact O-N 3.32Å; E612-K616 WeakPolarHBondContact OE1-CE 3.37Å; E612-K616 IonicContact OE1-NZ 2.68Å; E612-K616 PolarHBondContact OE1-NZ 3.21Å; G613-K616 PolarHBondContact O-N 3.43Å; K616-K619 PolarHBondContact O-N 2.67Å; K616-S620 PolarHBondContact O-N 2.87Å
617S89.8Confident86.1Confident63 Ų6399 Ų9944%0.44154%0.54SS..Hα-helixtrans-68.5-38.7177.266.20000112.4G613 D614 K619 S620 F621G613-S617 WeakPolarHBondContact O-CB 3.28Å; G613-S617 PolarHBondContact O-N 2.79Å; G613-S617 PolarHBondContact O-OG 2.86Å; D614-S617 PolarHBondContact O-OG 2.92Å; S617-K619 VanDerWaalsContact C-N 3.31Å; S617-K619 PolarHBondContact O-N 3.36Å; S617-S620 PolarHBondContact O-N 3Å; S617-S620 PolarHBondContact O-OG 2.94Å; S617-F621 WeakPolarHBondContact O-CB 3.49Å; S617-F621 PolarHBondContact O-N 3.02Å
618A91Very high86.7Confident50 Ų5095.4 Ų95.441%0.41352%0.521SS..Hα-helixtrans-62.2-40.1172.400000111.8D614 L622D614-A618 WeakPolarHBondContact O-CB 3.31Å; D614-A618 PolarHBondContact O-N 2.95Å; A618-L622 PolarHBondContact O-N 3.21Å; A618-L622 VanDerWaalsContact O-N 3.13Å
619K92.4Very high87Confident128 Ų12894.8 Ų94.856%0.55752%0.516SS*.Hα-helixtrans-65.6-46.1176-168.2-175.7179-156.10112.1L615 K616 S617 F621 L622 E623L615-K619 WeakPolarHBondContact O-CB 3.36Å; L615-K619 PolarHBondContact O-N 2.76Å; K616-K619 PolarHBondContact O-N 2.67Å; S617-K619 VanDerWaalsContact C-N 3.31Å; S617-K619 PolarHBondContact O-N 3.36Å; K619-F621 VanDerWaalsContact C-N 3.29Å; K619-F621 PolarHBondContact O-N 3.22Å; K619-L622 WeakPolarHBondContact O-CB 3.36Å; K619-L622 PolarHBondContact O-N 3.03Å; K619-E623 WeakPolarHBondContact CE-OE1 3.35Å; K619-E623 IonicContact NZ-OE1 2.79Å; K619-E623 PolarHBondContact O-N 3.5Å
620S89.8Confident86.7Confident65 Ų6595.1 Ų95.146%0.45551%0.511SS..Hα-helixtrans-64.6-34.5178.569.30000112.3K616 S617 E623 S624K616-S620 PolarHBondContact O-N 2.87Å; S617-S620 PolarHBondContact O-N 3Å; S617-S620 PolarHBondContact O-OG 2.94Å; S620-E623 PolarHBondContact O-N 2.77Å; S620-S624 WeakPolarHBondContact O-CB 3.48Å; S620-S624 PolarHBondContact O-N 3.21Å
621F92.1Very high85.7Confident144 Ų14495 Ų9563%0.63251%0.51SS*.Hα-helixtrans-64.5-42174.3-177.3-94.9000111.8S617 K619 L625S617-F621 WeakPolarHBondContact O-CB 3.49Å; S617-F621 PolarHBondContact O-N 3.02Å; K619-F621 VanDerWaalsContact C-N 3.29Å; K619-F621 PolarHBondContact O-N 3.22Å; F621-L625 WeakPolarHBondContact O-CB 3.38Å; F621-L625 PolarHBondContact O-N 3.21Å
622L91.7Very high84.1Confident100 Ų10098.8 Ų98.852%0.52453%0.527SS..Hα-helixtrans-64.1-43.5174.8-91.1152.7000112.2A618 K619 L625 I626A618-L622 PolarHBondContact O-N 3.21Å; A618-L622 VanDerWaalsContact O-N 3.13Å; K619-L622 WeakPolarHBondContact O-CB 3.36Å; K619-L622 PolarHBondContact O-N 3.03Å; L622-L625 PolarHBondContact O-N 3.2Å; L622-I626 WeakPolarHBondContact O-CD1 3.35Å; L622-I626 VanDerWaalsContact O-CG1 3.26Å; L622-I626 WeakPolarHBondContact O-CG1 3.45Å; L622-I626 PolarHBondContact O-N 3.14Å
623E90.9Very high82.2Confident93 Ų9397 Ų9744%0.43553%0.53SS..Hα-helixtrans-62.3-46.5176.4-73.3172.5177.600111K619 S620 L625 I626 E627K619-E623 WeakPolarHBondContact CE-OE1 3.35Å; K619-E623 IonicContact NZ-OE1 2.79Å; K619-E623 PolarHBondContact O-N 3.5Å; S620-E623 PolarHBondContact O-N 2.77Å; E623-L625 VanDerWaalsContact C-N 3.33Å; E623-L625 PolarHBondContact O-N 2.99Å; E623-I626 PolarHBondContact O-N 3.15Å; E623-I626 VanDerWaalsContact O-N 3.14Å; E623-E627 WeakPolarHBondContact O-CG 3.45Å; E623-E627 PolarHBondContact O-N 3.05Å
624S86.7Confident79.9Confident70 Ų7099.7 Ų99.749%0.4954%0.538SS..Hα-helixtrans-62.4-36.6175.9-177.10000113.2S620 S628S620-S624 WeakPolarHBondContact O-CB 3.48Å; S620-S624 PolarHBondContact O-N 3.21Å; S624-S628 VanDerWaalsContact O-CB 3.32Å; S624-S628 WeakPolarHBondContact O-CB 3.39Å; S624-S628 PolarHBondContact O-N 3.48Å; S624-S628 PolarHBondContact O-OG 3.01Å
625L88.8Confident77.5Confident80 Ų80104.5 Ų104.542%0.41956%0.557SS.*Hα-helixtrans-67.3-37.2175.4-171.571000111.9F621 L622 E623 S628 K629F621-L625 WeakPolarHBondContact O-CB 3.38Å; F621-L625 PolarHBondContact O-N 3.21Å; L622-L625 PolarHBondContact O-N 3.2Å; E623-L625 VanDerWaalsContact C-N 3.33Å; E623-L625 PolarHBondContact O-N 2.99Å; L625-S628 WeakPolarHBondContact CA-OG 3.45Å; L625-S628 PolarHBondContact O-OG 3.4Å; L625-S628 VanDerWaalsContact O-OG 3.05Å; L625-K629 WeakPolarHBondContact O-CB 3.3Å; L625-K629 WeakPolarHBondContact O-CG 3.45Å; L625-K629 PolarHBondContact O-N 2.9Å
626I86.4Confident74.9Confident98 Ų98105.8 Ų105.850%0.50357%0.565SS.*Hα-helixtrans-70.4-46.1177.1-67.8163.8000110.1L622 E623 K629 L630L622-I626 WeakPolarHBondContact O-CD1 3.35Å; L622-I626 VanDerWaalsContact O-CG1 3.26Å; L622-I626 WeakPolarHBondContact O-CG1 3.45Å; L622-I626 PolarHBondContact O-N 3.14Å; E623-I626 PolarHBondContact O-N 3.15Å; E623-I626 VanDerWaalsContact O-N 3.14Å; I626-K629 PolarHBondContact O-N 3.35Å; I626-L630 HydrophobicContact CG2-CD1 3.92Å; I626-L630 WeakPolarHBondContact O-CG 3.34Å; I626-L630 PolarHBondContact O-N 2.93Å
627E82.2Confident72.4Confident128 Ų128105.7 Ų105.760%0.59858%0.575SS**Hα-helixtrans-61-47.1177.7-74177.7179.200111.9E623 K629 L630 T631E623-E627 WeakPolarHBondContact O-CG 3.45Å; E623-E627 PolarHBondContact O-N 3.05Å; E627-K629 VanDerWaalsContact C-N 3.31Å; E627-K629 PolarHBondContact O-N 2.95Å; E627-L630 PolarHBondContact O-N 3.34Å; E627-L630 VanDerWaalsContact O-N 3.14Å; E627-T631 WeakPolarHBondContact O-CG2 3.48Å; E627-T631 PolarHBondContact O-N 3.41Å; E627-T631 PolarHBondContact O-OG1 3.41Å
628S79.8Confident69.9Low50 Ų50107.1 Ų107.135%0.3559%0.585SS.*Hα-helixtrans-61.5-38.2178.455.30000112.6S624 L625 T631 L632S624-S628 VanDerWaalsContact O-CB 3.32Å; S624-S628 WeakPolarHBondContact O-CB 3.39Å; S624-S628 PolarHBondContact O-N 3.48Å; S624-S628 PolarHBondContact O-OG 3.01Å; L625-S628 WeakPolarHBondContact CA-OG 3.45Å; L625-S628 PolarHBondContact O-OG 3.4Å; L625-S628 VanDerWaalsContact O-OG 3.05Å; S628-T631 WeakPolarHBondContact CA-OG1 3.45Å; S628-T631 PolarHBondContact O-OG1 3.45Å; S628-L632 PolarHBondContact O-N 3.45Å
629K74.1Confident67.2Low149 Ų149110.4 Ų110.465%0.64860%0.6SS**Hα-helixtrans-70.2-32.2175-76.2-163.1177.2-160.30113.6L625 I626 E627L625-K629 WeakPolarHBondContact O-CB 3.3Å; L625-K629 WeakPolarHBondContact O-CG 3.45Å; L625-K629 PolarHBondContact O-N 2.9Å; I626-K629 PolarHBondContact O-N 3.35Å; E627-K629 VanDerWaalsContact C-N 3.31Å; E627-K629 PolarHBondContact O-N 2.95Å
630L66.8Low64.4Low116 Ų116110.1 Ų110.161%0.60761%0.609SS**Hα-helixtrans-72.5-38.4175.4-71170000111.5I626 E627 L632 S633I626-L630 HydrophobicContact CG2-CD1 3.92Å; I626-L630 WeakPolarHBondContact O-CG 3.34Å; I626-L630 PolarHBondContact O-N 2.93Å; E627-L630 PolarHBondContact O-N 3.34Å; E627-L630 VanDerWaalsContact O-N 3.14Å; L630-L632 VanDerWaalsContact C-N 3.31Å; L630-L632 PolarHBondContact O-N 3.41Å; L630-S633 WeakPolarHBondContact O-CB 3.36Å; L630-S633 PolarHBondContact O-N 3.46Å; L630-S633 VanDerWaalsContact O-N 3.07Å
631T58.2Low61.6Low101 Ų101112.3 Ų112.362%0.6262%0.622SS**Hα-helixtrans-67-28.8177.653.40000113.9E627 S628 S633E627-T631 WeakPolarHBondContact O-CG2 3.48Å; E627-T631 PolarHBondContact O-N 3.41Å; E627-T631 PolarHBondContact O-OG1 3.41Å; S628-T631 WeakPolarHBondContact CA-OG1 3.45Å; S628-T631 PolarHBondContact O-OG1 3.45Å; T631-S633 PolarHBondContact O-N 2.72Å
632L53.7Low58.5Low147 Ų147110.4 Ų110.477%0.7763%0.626SS**THydrogen-bonded Turntrans-76.5-9.9174.3-78.9158.5000113S628 L630S628-L632 PolarHBondContact O-N 3.45Å; L630-L632 VanDerWaalsContact C-N 3.31Å; L630-L632 PolarHBondContact O-N 3.41Å
633S45.7Very low55.8Low95 Ų95112.4 Ų112.466%0.66464%0.643SS**THydrogen-bonded Turntrans-94.3-10.1-177.3-169.50000114.3L630 T631L630-S633 WeakPolarHBondContact O-CB 3.36Å; L630-S633 PolarHBondContact O-N 3.46Å; L630-S633 VanDerWaalsContact O-N 3.07Å; T631-S633 PolarHBondContact O-N 2.72Å
634T43.5Very low53.3Low99 Ų99113.5 Ų113.561%0.60766%0.658SS**  trans-110.756177.954.10000110.8D636T634-D636 VanDerWaalsContact C-N 3.31Å; T634-D636 PolarHBondContact O-N 3.27Å
635Q40.2Very low50.5Low179 Ų179114.6 Ų114.684%0.83667%0.671SS**  trans-89.683.1156.3-160173.318.600106.5V637Q635-V637 PolarHBondContact O-N 3.18Å
636D37.3Very low47.8Very low137 Ų137118.3 Ų118.373%0.73369%0.691SS**  trans-60.3105.9174.6-77.6-39.6000109.1T634 S638T634-D636 VanDerWaalsContact C-N 3.31Å; T634-D636 PolarHBondContact O-N 3.27Å; D636-S638 PolarHBondContact O-N 3.24Å
637V40.2Very low45.1Very low127 Ų127122 Ų12277%0.7770%0.703SS**  trans-71.473.2159.9-178.40000106.5Q635 T639Q635-V637 PolarHBondContact O-N 3.18Å; V637-T639 VanDerWaalsContact C-N 3.29Å; V637-T639 PolarHBondContact O-N 2.85Å; V637-T639 VanDerWaalsContact O-N 3.13Å
638S35.8Very low43Very low94 Ų94126 Ų12666%0.65772%0.719SS**  trans-82.381.117070.70000108.6D636 T640D636-S638 PolarHBondContact O-N 3.24Å; S638-T640 VanDerWaalsContact C-N 3.33Å; S638-T640 PolarHBondContact O-N 2.96Å
639T35.7Very low40.6Very low118 Ų118129.4 Ų129.472%0.72474%0.743SS**  trans-69.892.7164.5-370000107.2V637 P641V637-T639 VanDerWaalsContact C-N 3.29Å; V637-T639 PolarHBondContact O-N 2.85Å; V637-T639 VanDerWaalsContact O-N 3.13Å; T639-P641 VanDerWaalsContact O-CD 3.3Å; T639-P641 WeakPolarHBondContact O-CD 3.48Å
640T32.5Very low38.8Very low123 Ų123128 Ų12876%0.75575%0.752SS**  trans-73.1119.4173.348.10000110S638S638-T640 VanDerWaalsContact C-N 3.33Å; S638-T640 PolarHBondContact O-N 2.96Å
641P31.4Very low37Very low110 Ų110129 Ų12971%0.71476%0.763SS**  trans-90.5140.1166.934.2-25.5000110.6T639T639-P641 VanDerWaalsContact O-CD 3.3Å; T639-P641 WeakPolarHBondContact O-CD 3.48Å
642S26.9Very low35.8Very low105 Ų105136 Ų13673%0.73478%0.778SS**  trans56.9113.215065.60000119.9
643V35.8Very low34.6Very low142 Ų142133.9 Ų133.986%0.86178%0.775SS**  -151.5133.1116.5-179.80000108.1
644P36.7Very low33.9Very low116 Ų116137 Ų13775%0.75378%0.784SS**  trans-92.3173.3-172.537.5-34.3000113.5
645A29.8Very low33.2Very low92 Ų92137 Ų13776%0.7679%0.788SS**  trans86.788.8164.200000117.1
646N31.8Very low32.8Very low158 Ų158137.2 Ų137.285%0.84579%0.789SS**  -156.5146.4111.2-126.4-19.8000113.8
647K30Very low32.4Very low176 Ų176138.4 Ų138.477%0.76580%0.795SS**  trans-55.3129-173.4-63161.4175177.80113.2
648F36.4Very low32.1Very low212 Ų212136.8 Ų136.893%0.9379%0.785SS**  trans-148.1124.4131.4-93-74.1000109.4
649S29.9Very low31.7Very low122 Ų122139.6 Ų139.685%0.85379%0.788SS**  trans-62.7134.1-179.7-52.10000112.5
650S36.4Very low31.4Very low118 Ų118141.7 Ų141.783%0.82579%0.789SS**  -167.4119.4127.1-164.40000109.7
651T29.4Very low31.4Very low137 Ų137141.6 Ų141.684%0.8479%0.788SS**  trans-68.4123.6178.443.70000111.9
652R33.5Very low31.4Very low250 Ų250142.2 Ų142.294%0.94380%0.795SS**  trans-139.796.4148.6-152.1179.2-162-142.54108.9
653S28.6Very low31.5Very low101 Ų101140.1 Ų140.171%0.70679%0.791SS**  trans-74.9166.9169.142.90000111.6
654L29.8Very low31.4Very low161 Ų161144.8 Ų144.884%0.84379%0.794SS**  trans94.6117.4-177.2-86.576.7000113.6
655S30.2Very low31.2Very low99 Ų99148 Ų14869%0.69280%0.797SS**  cis-155.1137.316.1-530000110.1
656Q29.9Very low31.7Very low184 Ų184149 Ų14986%0.8680%0.797SS**  trans-76.8117.4156-83.4171.3-54.300107.4
657D30.7Very low32.2Very low161 Ų161149.2 Ų149.286%0.86179%0.793SS**  trans-116.3120.5149.9-90.2-36.7000107.4
658V32.8Very low32.8Very low93 Ų93148.8 Ų148.856%0.56479%0.794SS**  trans-103.1150.6-177.2179.50000107.4
659H28.3Very low32.9Very low154 Ų154144.2 Ų144.271%0.71379%0.787SS**  trans89.4122.4174-48.5-76.2000114.2
660H29.7Very low33.6Very low161 Ų161148.8 Ų148.875%0.74579%0.786SS**  cis-157.914849-84.2-84.8000114.6
661T31.7Very low34.3Very low122 Ų122149.2 Ų149.275%0.74878%0.784SS**  trans64.5100.3144.955.50000120.5
662S31.9Very low35Very low122 Ų122151.4 Ų151.485%0.85379%0.787SS**  trans-28.1137.9141.753.30000117
663G27.3Very low35.9Very low62 Ų62145.9 Ų145.964%0.63978%0.78SS**  trans113.879.8136.900000117.2
664Y34.4Very low37.3Very low240 Ų240150 Ų15094%0.94179%0.786SS**  trans-136.1113.4145.1-85.7-77.7000110.5
665K33Very low38.2Very low184 Ų184148.2 Ų148.280%0.878%0.784SS**  trans-66.2129.2168.6-67-177.7173.4-172.50109.5
666S40.7Very low39.4Very low111 Ų111155 Ų15578%0.77679%0.794SS**  trans-13771.3151.248.50000107.8Q668S666-Q668 PolarHBondContact O-N 2.98Å
667E41.5Very low40.4Very low163 Ų163157.8 Ų157.876%0.76280%0.797SS**  trans-64100.6166.5-75.1173.5171.100107.3C669E667-C669 VanDerWaalsContact C-N 3.34Å; E667-C669 PolarHBondContact O-N 2.94Å
668Q43.2Very low41.9Very low167 Ų167155.3 Ų155.378%0.7879%0.787SS**  trans-59.995.6171.9-84.7176.9-18.400109S666 R670S666-Q668 PolarHBondContact O-N 2.98Å; Q668-R670 VanDerWaalsContact C-N 3.3Å; Q668-R670 PolarHBondContact O-N 3.17Å
669C37.3Very low43.1Very low117 Ų117157 Ų15779%0.79180%0.798SS**  trans-58.592.5164.5-75.60000109.3E667 T671E667-C669 VanDerWaalsContact C-N 3.34Å; E667-C669 PolarHBondContact O-N 2.94Å; C669-T671 PolarHBondContact O-N 3.05Å
670R46Very low44.2Very low217 Ų217158.6 Ų158.682%0.81980%0.799SS**  trans-68.498.9167.2-69.2-176.4176.6-175.6-1107.7Q668 M672Q668-R670 VanDerWaalsContact C-N 3.3Å; Q668-R670 PolarHBondContact O-N 3.17Å; R670-M672 PolarHBondContact O-N 2.89Å
671T49.6Very low45.1Very low128 Ų128158.7 Ų158.779%0.78580%0.804SS**  trans-63.4101.5172.137.60000109.2C669 V673C669-T671 PolarHBondContact O-N 3.05Å; T671-V673 PolarHBondContact O-N 2.77Å
672M45.4Very low45.9Very low182 Ų182161 Ų16190%0.89781%0.805SS**  trans-67.9102.1174.3-72.8-175.259.500109.9R670 K674R670-M672 PolarHBondContact O-N 2.89Å; M672-K674 PolarHBondContact O-N 3.31Å
673V51.1Low46.7Very low134 Ų134160.5 Ų160.581%0.81280%0.798SS**PPolyproline II helixtrans-72.5116.2173.7179.40000109.2T671T671-V673 PolarHBondContact O-N 2.77Å
674K59.8Low47.8Very low189 Ų189164.8 Ų164.882%0.82281%0.806SS**PPolyproline II helixtrans-69.7131.8176.2-74.5178.2178.2173.10110.7M672M672-K674 PolarHBondContact O-N 3.31Å
675P48Very low48.2Very low123 Ų123159.5 Ų159.580%0.79979%0.794SS**PPolyproline II helixtrans-68.3137.817925.3-31.6000111.9
676R55.9Low48.7Very low240 Ų240157 Ų15791%0.90679%0.789SS**PPolyproline II helixtrans-68.7136.3175.6-77.5178164.8161.2-4.1110.5V678R676-V678 PolarHBondContact O-N 3.34Å
677R50.2Low49.2Very low244 Ų244155.3 Ų155.392%0.92178%0.782SS**PPolyproline II helixtrans-68.9118.7174.2-80.1179.7153.4149-5.2110.2
678V61.7Low49.3Very low109 Ų109155.5 Ų155.566%0.66178%0.783SS**PPolyproline II helixtrans-79.5117.7169.9179.50000107.9R676 Y680R676-V678 PolarHBondContact O-N 3.34Å; V678-Y680 HydrophobicContact CB-CE2 4.47Å; V678-Y680 HydrophobicContact CG1-CD2 4.45Å; V678-Y680 HydrophobicContact CG1-CE1 4.46Å; V678-Y680 HydrophobicContact CG1-CE2 4.14Å
679V59.1Low49.4Very low129 Ų129154.6 Ų154.678%0.78278%0.779SS**  trans-89.4113.6172.2-179.70000107.2L681V679-L681 PolarHBondContact O-N 2.89Å
680Y49.7Very low49.7Very low187 Ų187157.4 Ų157.473%0.73378%0.778SS**  trans-78.3118.8173-68.6-87000109V678 H682V678-Y680 HydrophobicContact CB-CE2 4.47Å; V678-Y680 HydrophobicContact CG1-CD2 4.45Å; V678-Y680 HydrophobicContact CG1-CE1 4.46Å; V678-Y680 HydrophobicContact CG1-CE2 4.14Å; Y680-H682 PolarHBondContact O-N 3.27Å
681L49.8Very low49.5Very low163 Ų163155.2 Ų155.285%0.85378%0.777SS**  trans-73.6111.2166.1-80.8149000107.5V679 T683V679-L681 PolarHBondContact O-N 2.89Å; L681-T683 PolarHBondContact O-N 2.75Å
682H47.9Very low49Very low169 Ų169155.3 Ų155.378%0.78278%0.777SS**  trans-64.1124.1167.7-68.1-78.8000107.9Y680Y680-H682 PolarHBondContact O-N 3.27Å
683T49.3Very low48.6Very low112 Ų112151.4 Ų151.469%0.68777%0.768SS**  trans-88.2132.1169.343.80000107.2L681 N685L681-T683 PolarHBondContact O-N 2.75Å; T683-N685 PolarHBondContact O-N 2.81Å
684D49.2Very low47.8Very low152 Ų152150 Ų15081%0.81376%0.764SS**SBendtrans-6938.3-169.5-65.8-46.9000115.2D686D684-D686 VanDerWaalsContact C-N 3.26Å; D684-D686 PolarHBondContact O-N 3.21Å
685N42.8Very low46.4Very low130 Ų130147.4 Ų147.470%0.69576%0.764SS**THydrogen-bonded Turntrans-79.7-0.8176.4-85.7-10.5000114.2T683 A687T683-N685 PolarHBondContact O-N 2.81Å; N685-A687 VanDerWaalsContact C-N 3.33Å
686D45.2Very low45.6Very low131 Ų131147.6 Ų147.670%0.70176%0.762SS**THydrogen-bonded Turntrans-84.6-3.5176.2-72.8-24.7000113.7D684D684-D686 VanDerWaalsContact C-N 3.26Å; D684-D686 PolarHBondContact O-N 3.21Å
687A49.6Very low44.5Very low75 Ų75141.5 Ų141.562%0.6275%0.752SS**SBendtrans-80.4-27178.600000113.6N685N685-A687 VanDerWaalsContact C-N 3.33Å
688E43.7Very low43.5Very low167 Ų167136.1 Ų136.178%0.7875%0.746SS**G310 helixtrans-89.4-14.3-175-66.4-164.3163.400114.1K690E688-K690 VanDerWaalsContact C-N 3.26Å; E688-K690 PolarHBondContact O-N 3.42Å
689Q45.7Very low42Very low148 Ų148138.1 Ų138.169%0.69275%0.752SS**G310 helixtrans-81-1.3179.8-138.3173.834.100114.3
690K44Very low40.6Very low177 Ų177137.7 Ų137.777%0.7775%0.75SS**G310 helixtrans-98.80178.1-75.2-169.7177.5-178.60115.5E688E688-K690 VanDerWaalsContact C-N 3.26Å; E688-K690 PolarHBondContact O-N 3.42Å
691Q41Very low39.6Very low171 Ų171141 Ų14180%0.79976%0.761SS**SBendtrans-100.5-3.6179.6-69.3-164.33.400115.6
692T39.7Very low38.9Very low129 Ų129138.8 Ų138.879%0.79176%0.755SS**SBendtrans-110.313-179.354.20000115.3
693S36.3Very low38.3Very low101 Ų101138.4 Ų138.471%0.70676%0.759SS**SBendtrans-14064.8169.771.90000112.9
694S34.4Very low37.9Very low105 Ų105140.2 Ų140.273%0.73477%0.769SS**  trans-147.462.9160.172.20000111
695V31.6Very low37.7Very low134 Ų134138.2 Ų138.281%0.81276%0.759SS**  trans-115.1129.5153.4176.20000105.1
696V30.7Very low37.8Very low126 Ų126140.1 Ų140.176%0.76476%0.763SS**SBendtrans72115.7-174.5-143.30000112.1
697T32.4Very low38Very low112 Ų112140.4 Ų140.469%0.68777%0.765SS**  cis-160.8144.132.2-29.80000108.6L699T697-L699 PolarHBondContact O-N 3.18Å
698T29Very low38Very low131 Ų131140 Ų14080%0.80476%0.762SS**  trans-53.7123.9161.944.60000112.1
699L30.9Very low38.4Very low152 Ų152138.4 Ų138.480%0.79676%0.758SS**  trans-154.1104.8157.6-102.7141.8000110.4T697T697-L699 PolarHBondContact O-N 3.18Å
700T30.2Very low38.6Very low119 Ų119137.1 Ų137.173%0.7376%0.755SS**  trans40.9113.7147.753.20000120.8T702T700-T702 PolarHBondContact O-N 3.34Å
701R28.6Very low39.1Very low256 Ų256135.6 Ų135.697%0.96675%0.754SS**  trans-59.4103.9161-81.8174.7159.3161.4-5.6112
702T35Very low39.9Very low118 Ų118136.8 Ų136.872%0.72476%0.757SS**  trans-153.9146.3149.240.70000106.5T700T700-T702 PolarHBondContact O-N 3.34Å
703D35Very low40.5Very low161 Ų161134 Ų13486%0.86175%0.754SS**  trans91.234.2-179.3-53.7-16.3000118.1
704V41Very low40.9Very low150 Ų150143 Ų14391%0.90977%0.772SS**  trans-114.672.6152.4-169.60000108.2
705N44.1Very low41.3Very low110 Ų110144.9 Ų144.959%0.58877%0.774SS**  trans-153.613169.9-146.117.6000117.2
706E45.3Very low41.8Very low169 Ų169145.4 Ų145.479%0.7977%0.772SS**SBendtrans-87.7-41.6173.7-69.3-86.9140.600111A708 L709E706-A708 VanDerWaalsContact C-N 3.31Å; E706-A708 PolarHBondContact O-N 3.2Å; E706-L709 PolarHBondContact O-N 3.47Å
707D49.2Very low42.4Very low137 Ų137146.5 Ų146.573%0.73377%0.773SS**THydrogen-bonded Turntrans-72.5-20.8-175.6-69.7-19.1000114.2
708A49.9Very low43Very low68 Ų68148.5 Ų148.556%0.56278%0.778SS**THydrogen-bonded Turntrans-79.7-20.6-177.600000113.5E706E706-A708 VanDerWaalsContact C-N 3.31Å; E706-A708 PolarHBondContact O-N 3.2Å
709L53.7Low43.9Very low132 Ų132149.6 Ų149.669%0.69178%0.776SS**THydrogen-bonded Turntrans-83.8-24.4-179.5-79.2164.8000113E706 L711E706-L709 PolarHBondContact O-N 3.47Å; L709-L711 VanDerWaalsContact C-N 3.28Å; L709-L711 PolarHBondContact O-N 2.88Å
710L49.8Very low44.7Very low121 Ų121149.5 Ų149.563%0.63478%0.775SS**G310 helixtrans-72.1-20.1176.9-77.2166.6000113.3K712L710-K712 VanDerWaalsContact C-N 3.33Å; L710-K712 PolarHBondContact O-N 3.32Å
711L53.2Low45.8Very low145 Ų145151.6 Ų151.676%0.75978%0.778SS**G310 helixtrans-82.91179.4-110.198.4000115.2L709L709-L711 VanDerWaalsContact C-N 3.28Å; L709-L711 PolarHBondContact O-N 2.88Å
712K57.1Low47.1Very low196 Ų196143.6 Ų143.685%0.85276%0.764SS**G310 helixtrans-103.7-4.1177-148.4168.3-176.71790114.1L710L710-K712 VanDerWaalsContact C-N 3.33Å; L710-K712 PolarHBondContact O-N 3.32Å
713G53.5Low48.1Very low71 Ų71145.8 Ų145.873%0.73277%0.767SS**  trans-109.84.5175.700000114.7
714W45.3Very low49.3Very low289 Ų289144.4 Ų144.4100%1.09576%0.759SS**  trans-119.60174.6-78.258000108.4

Retrieved 714 of 714 residues in 831.4 ms (Link to these results)