A0A087XVM4_POEFO Loading...

F-box protein 46

AlphaFold DB , UniProt , Accession A0A087XVM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 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
1S35.2Very low30Very low168 Ų168172.7 Ų172.7100%1.17585%0.851SS**  0142040.20000109.8
2H26.6Very low29.9Very low185 Ų185164.3 Ų164.386%0.85684%0.842SS**  trans-114.288.6-167.2-145.1-38.1000112.5R4H2-R4 PolarHBondContact O-N 3.21Å
3I29.3Very low29.9Very low138 Ų138162.5 Ų162.571%0.70884%0.844SS**  trans-73.2118.4-178.5-57.1175.8000110.1L5I3-L5 HydrophobicContact CG2-CD2 4.2Å; I3-L5 HydrophobicContact CG2-CG 4.09Å
4R30.7Very low29.6Very low237 Ų237167 Ų16789%0.89485%0.847SS**  trans-96.695.8169.6-75.6-173.7172.2-171.1-1.5110H2H2-R4 PolarHBondContact O-N 3.21Å
5L30.2Very low29.6Very low150 Ų150161.5 Ų161.579%0.78583%0.83SS**  trans-71.3134.6172.1-70.8172.3000111.1I3I3-L5 HydrophobicContact CG2-CD2 4.2Å; I3-L5 HydrophobicContact CG2-CG 4.09Å
6W26Very low29.8Very low240 Ų240162.9 Ų162.991%0.90983%0.832SS**  trans-89.4109.5-178.4178.812.2000109.9P8W6-P8 VanDerWaalsContact O-CD 3.32Å; W6-P8 WeakPolarHBondContact O-CD 3.41Å
7C28.6Very low29.7Very low108 Ų108161.2 Ų161.273%0.7383%0.825SS**PPolyproline II helixtrans-78.2118.9172-66.90000110.4R9C7-R9 PolarHBondContact O-N 3.48Å
8P29Very low29.8Very low113 Ų113163.7 Ų163.773%0.73483%0.829SS**PPolyproline II helixtrans-67.9129.9163.429.3-32.4000108.6W6W6-P8 VanDerWaalsContact O-CD 3.32Å; W6-P8 WeakPolarHBondContact O-CD 3.41Å
9R29.8Very low29.7Very low232 Ų232160.2 Ų160.288%0.87583%0.827SS**PPolyproline II helixtrans-70.2139.7167.4-74.7-177.9173.6177.1-2.9108.7C7C7-R9 PolarHBondContact O-N 3.48Å
10P33.2Very low29.6Very low120 Ų120164.5 Ų164.578%0.77983%0.832SS**PPolyproline II helixtrans-60.2141.1166.627.5-33.8000109.4G12P10-G12 PolarHBondContact O-N 3.36Å
11F31.3Very low29.6Very low209 Ų209162.1 Ų162.192%0.91783%0.831SS**PPolyproline II helixtrans-63.6124.2173.7-76.4-92.1000109.3T13F11-T13 PolarHBondContact O-N 3.01Å
12G29.5Very low29.5Very low72 Ų72160.5 Ų160.574%0.74282%0.817SS**PPolyproline II helixtrans-66131.4178.300000111.1P10 Y14P10-G12 PolarHBondContact O-N 3.36Å; G12-Y14 PolarHBondContact O-N 3.48Å
13T30Very low29.5Very low141 Ų141155.4 Ų155.487%0.86581%0.814SS**PPolyproline II helixtrans-59.2127.9175.247.60000110.8F11 S15F11-T13 PolarHBondContact O-N 3.01Å; T13-S15 PolarHBondContact O-N 3.38Å
14Y25.7Very low29.6Very low225 Ų225155.1 Ų155.188%0.88282%0.824SS**  trans-7596.7-171.6-157.2-85.9000111.5G12 Q16G12-Y14 PolarHBondContact O-N 3.48Å; Y14-Q16 PolarHBondContact O-N 3.28Å
15S29.5Very low29.5Very low85 Ų85147.6 Ų147.659%0.59482%0.82SS**  trans-67.9123.1176.6-171.80000111.1T13 N17T13-S15 PolarHBondContact O-N 3.38Å; S15-N17 VanDerWaalsContact C-N 3.25Å; S15-N17 WeakPolarHBondContact CB-OD1 3.46Å; S15-N17 PolarHBondContact O-N 2.86Å; S15-N17 PolarHBondContact OG-OD1 2.98Å
16Q32.5Very low29.4Very low184 Ų184144.2 Ų144.286%0.8682%0.822SS**  trans-74.275176.1-70.6-167.17.700111.6Y14 K18Y14-Q16 PolarHBondContact O-N 3.28Å; Q16-K18 PolarHBondContact O-N 3Å
17N28.8Very low29.5Very low134 Ų134140.4 Ų140.472%0.71782%0.819SS**  trans-7994.4177.9-69.911.6000110.2S15 A19S15-N17 VanDerWaalsContact C-N 3.25Å; S15-N17 WeakPolarHBondContact CB-OD1 3.46Å; S15-N17 PolarHBondContact O-N 2.86Å; S15-N17 PolarHBondContact OG-OD1 2.98Å; N17-A19 PolarHBondContact O-N 3.23Å
18K30.6Very low29.6Very low206 Ų206140.4 Ų140.490%0.89682%0.82SS**  trans-55.8128176.6-167.5172.4-173.8171.70110.9Q16Q16-K18 PolarHBondContact O-N 3Å
19A27.7Very low29.6Very low96 Ų96138.9 Ų138.979%0.79383%0.826SS**  trans-64.9136.3-172.600000113.3N17N17-A19 PolarHBondContact O-N 3.23Å
20R27Very low29.4Very low246 Ų246131.6 Ų131.693%0.92882%0.822SS**  trans-121121.9157.6-88.8-170.5168.1-152.6-1.9108.3
21S30Very low29.2Very low116 Ų116130.2 Ų130.281%0.81182%0.821SS**  trans-75.8150.6175.1-55.20000111.3
22P32.8Very low29.1Very low134 Ų134126.5 Ų126.587%0.8782%0.821SS**  trans-80.6150.8176.333.6-34.9000112.2
23G27.9Very low29Very low78 Ų78127.1 Ų127.180%0.80483%0.828SS**  trans-161138.8171.800000109.9
24S31.3Very low28.9Very low131 Ų131125.8 Ų125.892%0.91683%0.831SS**  trans-81.9166.8-176.7-158.70000112.4
25G27.7Very low28.9Very low79 Ų79118.9 Ų118.981%0.81483%0.828SS**  trans-70154.5-176.700000114.6
26G28.4Very low28.7Very low79 Ų79120.6 Ų120.681%0.81484%0.84SS**  trans-164.8145.1177.700000111
27N29.1Very low29.1Very low160 Ų160117.3 Ų117.386%0.85684%0.835SS**  trans-72.8164.6-165-152.333.1000114.6
28S30.7Very low29Very low108 Ų108115.7 Ų115.776%0.75583%0.834SS**  trans-71.6142.6174.155.50000114
29G27.7Very low28.8Very low82 Ų82112.2 Ų112.285%0.84583%0.829SS**  trans163.4133.9157.500000116.8
30G26.2Very low28.6Very low78 Ų78113.4 Ų113.480%0.80483%0.83SS**  trans99.594.3145.200000120.1
31A28.9Very low28.5Very low92 Ų92110.4 Ų110.476%0.7682%0.824SS**  50.5123.2126.800000123.4
32S28.2Very low28.2Very low131 Ų131110 Ų11092%0.91683%0.827SS**  68.9136.7127.6-56.10000122.5
33G27.6Very low27.7Very low85 Ų85111.2 Ų111.288%0.87682%0.822SS**  trans153.6125.116100000113.5
34A28.5Very low27.6Very low113 Ų113115.8 Ų115.893%0.93483%0.827SS**  trans-117.1151.2175.800000111.1
35G25.5Very low27.3Very low79 Ų79114 Ų11481%0.81481%0.814SS**  trans171.8111.6174.700000115.5
36S26.3Very low27.2Very low121 Ų121120 Ų12085%0.84682%0.821SS**  trans-90-175156.1-47.50000108.8
37P40.8Very low27Very low116 Ų116119.7 Ų119.775%0.75382%0.818SS**  cis-144.6-153.98.244.2-22.4000115.3
38S26.6Very low26.9Very low100 Ų100117.7 Ų117.770%0.69982%0.817SS**  trans80.6129.1161.1-70.40000118.6
39V25.3Very low26.7Very low132 Ų132121 Ų12180%0.882%0.821SS**  82131.652170.90000110.6
40C23.9Very low26.9Very low121 Ų121126 Ų12682%0.81882%0.824SS**  cis-144.3-175.633.5-151.40000116
41K25.8Very low27Very low183 Ų183130.5 Ų130.580%0.79682%0.824SS**  trans-83.6161.5174.9-61.4178.3174.3-173.40113.4
42A22.8Very low27.3Very low107 Ų107132.3 Ų132.388%0.88482%0.821SS**  trans-147141.7139.500000109.9
43E22.6Very low27.5Very low160 Ų160129 Ų12975%0.74881%0.808SS**  trans-145.8139-177.3173.9179.9-159.400108.3
44L25.1Very low27.9Very low175 Ų175134.7 Ų134.792%0.91680%0.803SS**  trans-164.6146.7163.8-111.3166.2000109.9
45S26.1Very low28.2Very low93 Ų93134 Ų13465%0.6579%0.786SS**  trans-136.4135.3-168.3-52.70000112.9
46Q25.6Very low28.6Very low204 Ų204137.6 Ų137.695%0.95379%0.786SS**  trans178145.2159.3-100.8160.118.300106.9
47G23.5Very low29.2Very low74 Ų74137.3 Ų137.376%0.76378%0.775SS**  cis-159.6173.2-6.100000109.5
48S27.7Very low29Very low117 Ų117137.1 Ų137.182%0.81877%0.767SS**  trans-83.7134.6-168.355.90000115.4
49Q26.2Very low29.6Very low179 Ų179136 Ų13684%0.83676%0.756SS**  -145137.2129-79.2-150.4-17.500110.5
50M31.3Very low30.1Very low185 Ų185140.4 Ų140.491%0.91176%0.759SS**  trans-96.6135.8167-67.8175.268.300108.7
51Q28.7Very low31Very low173 Ų173143 Ų14381%0.80875%0.752SS**  trans-135.7102.1170.3-165.3126.693.900109.2G53Q51-G53 PolarHBondContact O-N 3.49Å
52D35.1Very low31.6Very low130 Ų130140.2 Ų140.270%0.69575%0.751SS**  trans-80.567.8-173.3-163.213000110.8R54D52-R54 VanDerWaalsContact C-N 3.33Å; D52-R54 PolarHBondContact O-N 3.22Å; D52-R54 IonicContact OD2-NH1 3.37Å; D52-R54 PolarHBondContact OD2-NH1 3.5Å
53G33.6Very low32.9Very low62 Ų62141.5 Ų141.564%0.63974%0.741SS**  trans-74.173-171.800000113.9Q51 V55Q51-G53 PolarHBondContact O-N 3.49Å; G53-V55 PolarHBondContact O-N 3.48Å
54R34.4Very low33.8Very low205 Ų205142.1 Ų142.177%0.77474%0.741SS**  trans-71.589.2175.1-62.7-160.5-66.8-108.89.4111.5D52 L56D52-R54 VanDerWaalsContact C-N 3.33Å; D52-R54 PolarHBondContact O-N 3.22Å; D52-R54 IonicContact OD2-NH1 3.37Å; D52-R54 PolarHBondContact OD2-NH1 3.5Å; R54-L56 PolarHBondContact O-N 3.1Å
55V34.8Very low34.5Very low97 Ų97140.1 Ų140.159%0.58874%0.739SS**  trans-67.5121.9176.1179.60000110.6G53 L57G53-V55 PolarHBondContact O-N 3.48Å; V55-L57 HydrophobicContact CG1-CD2 4.48Å
56L35.7Very low35.2Very low155 Ų155138.9 Ų138.981%0.81274%0.741SS**  trans-74.3128.6166.4-78.8163.1000109.7R54R54-L56 PolarHBondContact O-N 3.1Å
57L37.2Very low35.7Very low116 Ų116136.4 Ų136.461%0.60773%0.734SS**  trans-106.975.6-176.1-76.6167.9000111.2V55 T59 V76V55-L57 HydrophobicContact CG1-CD2 4.48Å; L57-T59 PolarHBondContact O-N 3.23Å; L57-T59 PolarHBondContact O-OG1 2.89Å; L57-V76 HydrophobicContact CD2-CG1 4.07Å
58D37.5Very low37Very low111 Ų111139.4 Ų139.459%0.59474%0.738SS**  trans-62.295.9175.2-71.4-16.4000110.8
59T39.3Very low38.1Very low77 Ų77143 Ų14347%0.47274%0.739SS.*  trans-100.1109.9-174.3-56.60000110L57 Y61L57-T59 PolarHBondContact O-N 3.23Å; L57-T59 PolarHBondContact O-OG1 2.89Å; T59-Y61 HydrophobicContact CG2-CE1 4.08Å; T59-Y61 HydrophobicContact CG2-CE2 4.15Å
60W35.3Very low39.1Very low225 Ų225142.1 Ų142.185%0.85274%0.735SS**  trans-103.6134.4-179.8-66.877.1000111.1
61Y43.2Very low39.6Very low174 Ų174142.8 Ų142.868%0.68273%0.732SS**  trans-108.4130.6179.9-55.2-84000110.4T59T59-Y61 HydrophobicContact CG2-CE1 4.08Å; T59-Y61 HydrophobicContact CG2-CE2 4.15Å
62V37.6Very low40.6Very low126 Ų126140.4 Ų140.476%0.76472%0.724SS**  trans-121.295.9174.5-177.70000109.2K64V62-K64 HydrophobicContact CG1-CG 4.49Å
63I50.5Low40.8Very low133 Ų133137.3 Ų137.368%0.68272%0.717SS**  trans-83116.6169.9-57.8174000107.2
64K40.7Very low41.1Very low173 Ų173142.1 Ų142.175%0.75272%0.72SS**  trans-89.6118.1168.6-72.4-163.6174.9-1690108.8V62 G66V62-K64 HydrophobicContact CG1-CG 4.49Å; K64-G66 PolarHBondContact O-N 3.17Å; K64-G66 VanDerWaalsContact O-N 3.15Å
65P41.1Very low41.4Very low133 Ų133140.9 Ų140.986%0.86472%0.721SS**  trans-69.3112175.928.1-32.8000109.4
66G40.9Very low41.8Very low67 Ų67141.6 Ų141.669%0.69173%0.725SS**  trans151.6118.4174.700000115K64K64-G66 PolarHBondContact O-N 3.17Å; K64-G66 VanDerWaalsContact O-N 3.15Å
67N35.8Very low42Very low152 Ų152138.2 Ų138.281%0.81372%0.719SS**SBendtrans79.2132.6168.6-148-20.5000116.8K69N67-K69 PolarHBondContact O-N 2.81Å
68T50.6Low42.1Very low137 Ų137138.6 Ų138.684%0.8472%0.718SS**SBendtrans-87.456.6-153.847.40000114.7
69K51.2Low42.2Very low193 Ų193141 Ų14184%0.83973%0.726SS**  trans-158.572.3164.2-120.6163.9-169.91680112.4N67 K71N67-K69 PolarHBondContact O-N 2.81Å; K69-K71 PolarHBondContact O-N 3.41Å
70E46.8Very low42.1Very low160 Ų160144 Ų14475%0.74874%0.738SS**  trans-56.2125178.4-66.9177.7-161.200111.7
71K41.4Very low42.1Very low199 Ų199139.3 Ų139.387%0.86574%0.739SS**  trans-113.3106.8168.5-74-174.1176.7-176.50108K69 A73K69-K71 PolarHBondContact O-N 3.41Å; K71-A73 PolarHBondContact O-N 2.83Å
72I49.7Very low41.6Very low124 Ų124134.7 Ų134.764%0.63675%0.745SS**  trans-64.6125170.5-55.7174.3000107.9F74I72-F74 HydrophobicContact CG2-CE1 4.01Å; I72-F74 HydrophobicContact CG2-CE2 4.01Å; I72-F74 HydrophobicContact CG2-CZ 3.74Å
73A39.3Very low41.4Very low65 Ų65133.8 Ų133.854%0.53775%0.75SS.*  trans-111.7121.8174.600000108.9K71 F75K71-A73 PolarHBondContact O-N 2.83Å; A73-F75 HydrophobicContact CB-CD2 4.37Å; A73-F75 HydrophobicContact CB-CE2 3.68Å; A73-F75 HydrophobicContact CB-CZ 4.27Å
74F39.7Very low41Very low162 Ų162130.8 Ų130.871%0.71175%0.753SS**  trans-91118.4179.8-58.9-86000109.7I72I72-F74 HydrophobicContact CG2-CE1 4.01Å; I72-F74 HydrophobicContact CG2-CE2 4.01Å; I72-F74 HydrophobicContact CG2-CZ 3.74Å
75F40.2Very low40.9Very low180 Ų180131.2 Ų131.279%0.78976%0.757SS**  trans-113.3114.5173.1-66.4-81.5000109A73A73-F75 HydrophobicContact CB-CD2 4.37Å; A73-F75 HydrophobicContact CB-CE2 3.68Å; A73-F75 HydrophobicContact CB-CZ 4.27Å
76V43.4Very low40.8Very low111 Ų111130 Ų13067%0.67375%0.749SS**  trans-99.7104.5176.3-179.40000108.2L57 H78L57-V76 HydrophobicContact CD2-CG1 4.07Å; V76-H78 PolarHBondContact O-N 2.71Å
77A39.8Very low40.8Very low84 Ų84138.2 Ų138.269%0.69476%0.76SS**  trans-82.392.317800000110.3Q79A77-Q79 PolarHBondContact O-N 3.48Å
78H40.9Very low41Very low125 Ų125136.4 Ų136.458%0.57976%0.756SS**  trans-77.383-179.9-160-57.8000111.1V76 L80V76-H78 PolarHBondContact O-N 2.71Å; H78-L80 WeakPolarHBondContact ND1-CG 3.35Å; H78-L80 PolarHBondContact O-N 2.99Å; H78-L80 VanDerWaalsContact O-N 3.1Å
79Q39.6Very low40.5Very low161 Ų161135.3 Ų135.375%0.75275%0.754SS**  trans-64.8109.7178.4-67-161.869.800111.1A77A77-Q79 PolarHBondContact O-N 3.48Å
80L36.9Very low39.9Very low140 Ų140130.5 Ų130.573%0.73375%0.751SS**  trans-11784.8173.6-80.4158.4000109.2H78 G82H78-L80 WeakPolarHBondContact ND1-CG 3.35Å; H78-L80 PolarHBondContact O-N 2.99Å; H78-L80 VanDerWaalsContact O-N 3.1Å; L80-G82 PolarHBondContact O-N 3.36Å
81S34.7Very low39.2Very low126 Ų126131.5 Ų131.588%0.88176%0.757SS**  trans-67.2125.7158.8-69.20000108.1
82G33Very low38.8Very low78 Ų78131.5 Ų131.580%0.80476%0.757SS**  trans-115.6164.6-157.300000116.4L80L80-G82 PolarHBondContact O-N 3.36Å
83A32.5Very low38Very low106 Ų106132.3 Ų132.388%0.87677%0.768SS**  trans-122.2133.2151.700000107.2
84G42.1Very low37.9Very low71 Ų71138 Ų13873%0.73278%0.78SS**  trans-90.1127.6-154.700000116.9
85Q39Very low37.5Very low182 Ų182133.1 Ų133.185%0.8578%0.776SS**  trans-146.2160153.6-88-48.5-75.700110.5
86P39.9Very low37Very low107 Ų107130.3 Ų130.370%0.69577%0.77SS**PPolyproline II helixtrans-81.7158.2-157.530.6-36.6000116.4P88P86-P88 WeakPolarHBondContact O-CD 3.44Å
87R41.3Very low36.5Very low239 Ų239137 Ų13790%0.90278%0.783SS**PPolyproline II helixtrans-65.6131.9176.3-77.9-79.4-149.8137.94.8113.7
88P39.5Very low36Very low114 Ų114136.6 Ų136.674%0.7478%0.779SS**PPolyproline II helixtrans-78.4155.3149.3-16.633000112.1P86P86-P88 WeakPolarHBondContact O-CD 3.44Å
89S39.5Very low35.6Very low114 Ų114136 Ų13680%0.79779%0.785SS**PPolyproline II helixtrans-72.6156.6-176.3-171.10000114M91S89-M91 PolarHBondContact O-N 3.18Å
90A38.3Very low35.3Very low93 Ų93135.3 Ų135.377%0.76979%0.786SS**  trans-73.7110.4-178.900000112.4K92A90-K92 PolarHBondContact O-N 3.3Å
91M31.9Very low35.1Very low181 Ų181134.5 Ų134.589%0.89279%0.791SS**  trans-79.1105.8178-65.4-16976.700112S89 V93S89-M91 PolarHBondContact O-N 3.18Å; M91-V93 PolarHBondContact O-N 2.82Å
92K33.5Very low35Very low199 Ų199133.9 Ų133.987%0.86579%0.787SS**  trans-72.998.8179-178.9-178-179.5177.40111.6A90 K94A90-K92 PolarHBondContact O-N 3.3Å; K92-K94 PolarHBondContact O-N 2.94Å
93V33.5Very low34.9Very low141 Ų141140.2 Ų140.286%0.85579%0.792SS**  trans-64.8116.9175.3179.60000110.5M91 G95M91-V93 PolarHBondContact O-N 2.82Å; V93-G95 PolarHBondContact O-N 2.87Å
94K37Very low34.8Very low183 Ų183140.2 Ų140.280%0.79679%0.792SS**  trans-89.586.9-175.3-177-177.4171.5-176.20111.2K92 N96K92-K94 PolarHBondContact O-N 2.94Å; K94-N96 PolarHBondContact O-N 3.15Å
95G30.1Very low34.2Very low61 Ų61147.4 Ų147.463%0.62980%0.803SS**  trans-69.2120.6166.400000111.1V93V93-G95 PolarHBondContact O-N 2.87Å
96N30.4Very low33.9Very low121 Ų121149.2 Ų149.265%0.64780%0.802SS**  trans-86.7120.7-174.3-17375.7000112.1K94K94-N96 PolarHBondContact O-N 3.15Å
97W32.3Very low33.7Very low252 Ų252155.5 Ų155.596%0.95581%0.812SS**  trans-13079.4178-76.696.9000112.2
98A30.2Very low33.4Very low75 Ų75155 Ų15562%0.6281%0.81SS**  trans-157.1145.5160.200000106.2
99T32.7Very low33.3Very low113 Ų113161.3 Ų161.369%0.69382%0.819SS**SBendcis-128-178.417.647.20000113.8
100D32.8Very low32.7Very low145 Ų145162 Ų16278%0.77582%0.823SS**  trans81142.4159.2-51.4-54.4000119.4
101C33Very low32.5Very low123 Ų123163.3 Ų163.383%0.83183%0.826SS**  trans-143.7144.4-146.6-660000113.8
102S33Very low32.5Very low114 Ų114160.2 Ų160.280%0.79782%0.822SS**  trans-160.8124.9143.5-97.20000116.3
103K30.9Very low32.2Very low211 Ų211160.7 Ų160.792%0.91782%0.82SS**  trans50.591.3151.8-70.1172.3177.71660119.3
104A30Very low32.1Very low105 Ų105160.1 Ų160.187%0.86881%0.812SS**  trans-111.3133.4142.900000109.8
105K30.5Very low32.3Very low223 Ų223156.2 Ų156.297%0.9781%0.805SS**  trans-94.2112.7-169.4-173.8171.9178177.50112.3
106R32.3Very low32.6Very low219 Ų219159.4 Ų159.483%0.82682%0.815SS**  trans-110.3120.5179179.1-165.3-109.3-151.4-0.7112.8
107R35.6Very low32.6Very low239 Ų239159.9 Ų159.990%0.90282%0.823SS**  trans-140.8112.1148.7-74.6-168168.7-164.2-5.1106.4
108R34.1Very low32.5Very low230 Ų230159.2 Ų159.287%0.86882%0.82SS**  72.2126.976.2-73.2-165.4-170.6-132.38.6112.6
109R37.5Very low32.5Very low246 Ų246160.7 Ų160.793%0.92883%0.826SS**  trans-96.8134.5172.4-73.2-177.8168.8-146.1-1110.5
110C28.2Very low32.5Very low129 Ų129164.5 Ų164.587%0.87284%0.836SS**  trans-154132.5157.8-67.20000106.9
111S32.3Very low32.3Very low120 Ų120161.9 Ų161.984%0.83983%0.834SS**  cis110.825.5-9.3-148.80000120
112S32.4Very low32.5Very low116 Ų116162.2 Ų162.281%0.81183%0.834SS**  trans-157.6153.9162.564.10000114
113Y28.1Very low32.4Very low208 Ų208162.4 Ų162.482%0.81683%0.831SS**  trans-61.9173.1157.4-102-136.2000110.8
114D30.6Very low32.8Very low130 Ų130158 Ų15870%0.69582%0.824SS**  cis-144.7-150.57.1-144.5-11.7000111.3
115P41.7Very low32.7Very low100 Ų100159.5 Ų159.565%0.64982%0.817SS**  trans-118176.9-148.938.7-17.1000116.1
116P35.6Very low32.5Very low129 Ų129155.3 Ų155.384%0.83881%0.811SS**  trans-106.9149.1170.337.3-30000114.3
117T30.8Very low32.4Very low131 Ų131149.1 Ų149.180%0.80480%0.801SS**  trans-108132-168.3-37.50000114.2
118R30.9Very low32.2Very low238 Ų238145 Ų14590%0.89880%0.795SS**  trans30.9113.9149.8-168.6-174.1-172.7-174.63.6120.5
119S30.4Very low31.9Very low106 Ų106144.9 Ų144.974%0.74180%0.795SS**  trans-175.5143.5146.222.40000109
120Q31.6Very low32Very low193 Ų193138.2 Ų138.290%0.90278%0.784SS**  cis-143.1171.8-9-94.4169.716.700108.4
121A28.3Very low32.7Very low89 Ų89137.8 Ų137.874%0.73678%0.779SS**  trans-104.6173.1175.100000111.5
122P37.7Very low32.4Very low130 Ų130137.6 Ų137.684%0.84478%0.778SS**  -141.6178.879.336-17.6000116.1
123T30.8Very low33Very low118 Ų118137.6 Ų137.672%0.72478%0.775SS**  trans-94.3172.2-179.555.20000112.4
124P40.3Very low33.3Very low119 Ų119135.5 Ų135.577%0.77378%0.778SS**  -142.9171.181.737.9-20.9000113.6
125D26.3Very low33.4Very low136 Ų136137.5 Ų137.573%0.72778%0.783SS**  cis-162.3176-27.8-124.1-52.8000108.9
126T27.6Very low33.3Very low135 Ų135140.3 Ų140.383%0.82879%0.792SS**  trans76137.2166.7-41.70000116.6
127S29.4Very low33.2Very low90 Ų90140 Ų14063%0.62979%0.789SS**  cis-167.8139.5-23.5-172.90000112.5
128I31.3Very low33.8Very low151 Ų151142.6 Ų142.677%0.77480%0.797SS**  trans63.8111.5147.2-70.7170.9000122
129R28Very low33.8Very low228 Ų228133.9 Ų133.986%0.8678%0.782SS**  trans82.5131.6131.8-175.2172-177.9179.91.3123.4
130P39.3Very low34.1Very low107 Ų107135.8 Ų135.870%0.69579%0.789SS**  trans-102.8-171.5163.244.1-37.2000112.2
131P42.5Very low34.4Very low119 Ų119132.8 Ų132.877%0.77378%0.779SS**  cis-134.1170.1-142.8-27.3000116.3
132S27.8Very low35.3Very low116 Ų116137.3 Ų137.381%0.81179%0.785SS**  trans-166.6158142.552.30000110.7
133P44.2Very low35.9Very low116 Ų116136.5 Ų136.575%0.75378%0.778SS**  trans-103.4132.2-177.936.3-28.4000113.5
134D34Very low37.2Very low164 Ų164137.3 Ų137.388%0.87778%0.778SS**  trans-175-175.5143.8-101.8-32.5000108.5
135E31.9Very low38Very low172 Ų172138.9 Ų138.980%0.80478%0.779SS**  trans74.892.1177.9-63-72.974.200117.9
136L39.7Very low40.1Very low160 Ų160135.8 Ų135.884%0.83876%0.762SS**  trans-14.3119.9153.8-60.3166.6000117.7
137P34.3Very low42.4Very low121 Ų121132.6 Ų132.679%0.78675%0.745SS**  trans-82135.1154.232.2-30.4000110.9G139P137-G139 PolarHBondContact O-N 3.45Å
138L44.1Very low44.5Very low186 Ų186133.8 Ų133.897%0.97475%0.748SS**  trans-62.991.8175.6-78.4153.7000112.2
139G31.3Very low46.5Very low56 Ų56130 Ų13058%0.57774%0.74SS**  trans-81.4127.7164.900000111P137 N141P137-G139 PolarHBondContact O-N 3.45Å; G139-N141 PolarHBondContact O-N 3.11Å; G139-N141 VanDerWaalsContact O-N 3.16Å
140V35.8Very low49.1Very low145 Ų145123.9 Ų123.988%0.87972%0.721SS**  trans-72.5106167.7179.90000107.3E142V140-E142 PolarHBondContact O-N 3.12Å
141N37.7Very low51.2Low131 Ų131123.8 Ų123.870%0.70171%0.712SS**  trans-64.2120.9-179.3-74.6-33.2000110.5G139 T143G139-N141 PolarHBondContact O-N 3.11Å; G139-N141 VanDerWaalsContact O-N 3.16Å; N141-T143 HydrophobicContact CB-CG2 4.01Å; N141-T143 PolarHBondContact O-N 3.13Å
142E46.9Very low53.2Low183 Ų183121.4 Ų121.486%0.85570%0.695SS**  trans-80.851.8-177.1-162.9170.5-177.300111V140V140-E142 PolarHBondContact O-N 3.12Å
143T50.4Low55.9Low113 Ų113118.1 Ų118.169%0.69368%0.676SS**  trans-107.711.8-164.6510000115.1N141N141-T143 HydrophobicContact CB-CG2 4.01Å; N141-T143 PolarHBondContact O-N 3.13Å
144D58.5Low57.8Low136 Ų136115.5 Ų115.573%0.72766%0.655SS**SBendtrans-143.355.1176.5-16523.4000113.2
145L57.5Low60.4Low151 Ų151111.9 Ų111.979%0.79164%0.639SS**  trans-13447.2162.8-73.1179.3000110.2S147L145-S147 PolarHBondContact O-N 2.93Å
146L68.8Low63.2Low72 Ų72109.9 Ų109.938%0.37763%0.629SS.*  trans-52.1131.5176.1-62.9172000110.4E150 L154L146-E150 WeakPolarHBondContact CA-OE2 3.49Å; L146-E150 HydrophobicContact CD2-CG 4.01Å; L146-L154 HydrophobicContact CD1-CD1 3.85Å; L146-L154 HydrophobicContact CD2-CD1 4.48Å
147S77.7Confident65.1Low68 Ų68107.3 Ų107.348%0.47661%0.613SS.*  trans-63.3152.6176.8-177.90000110.7L145 A149 E150 M151L145-S147 PolarHBondContact O-N 2.93Å; S147-A149 PolarHBondContact O-N 3.48Å; S147-A149 VanDerWaalsContact O-N 3.16Å; S147-E150 PolarHBondContact N-OE2 3.15Å; S147-E150 WeakPolarHBondContact O-CA 3.31Å; S147-E150 WeakPolarHBondContact O-CB 3.25Å; S147-E150 PolarHBondContact O-N 3.01Å; S147-M151 PolarHBondContact O-N 3.05Å
148V72.4Confident67.3Low114 Ų114110.4 Ų110.469%0.69161%0.609SS**Hα-helixtrans-56.5-36.1176.7179.20000111.3E150 V152V148-E150 VanDerWaalsContact C-N 3.34Å; V148-V152 WeakPolarHBondContact O-CB 3.5Å; V148-V152 VanDerWaalsContact O-CG2 3.27Å; V148-V152 WeakPolarHBondContact O-CG2 3.29Å; V148-V152 PolarHBondContact O-N 2.79Å
149A74.6Confident69.1Low73 Ų73105.1 Ų105.160%0.60359%0.585SS**Hα-helixtrans-68.7-30.8175.400000113.4S147 A153S147-A149 PolarHBondContact O-N 3.48Å; S147-A149 VanDerWaalsContact O-N 3.16Å; A149-A153 WeakPolarHBondContact O-CB 3.11Å; A149-A153 PolarHBondContact O-N 2.86Å
150E81.1Confident71.4Confident98 Ų98104.6 Ų104.646%0.45858%0.575SS.*Hα-helixtrans-80.6-37.9-178.9-172.7175.2-152.700111.1L146 S147 V148 A153 L154L146-E150 WeakPolarHBondContact CA-OE2 3.49Å; L146-E150 HydrophobicContact CD2-CG 4.01Å; S147-E150 PolarHBondContact N-OE2 3.15Å; S147-E150 WeakPolarHBondContact O-CA 3.31Å; S147-E150 WeakPolarHBondContact O-CB 3.25Å; S147-E150 PolarHBondContact O-N 3.01Å; V148-E150 VanDerWaalsContact C-N 3.34Å; E150-A153 PolarHBondContact O-N 3.23Å; E150-L154 WeakPolarHBondContact O-CB 3.35Å; E150-L154 WeakPolarHBondContact O-CG 3.36Å; E150-L154 PolarHBondContact O-N 3.29Å
151M83.3Confident73.3Confident105 Ų105103 Ų10352%0.51756%0.559SS.*Hα-helixtrans-63.4-42169.5-166.6-172.7-58.500111.5S147 L154 V155S147-M151 PolarHBondContact O-N 3.05Å; M151-L154 PolarHBondContact O-N 3.47Å; M151-V155 WeakPolarHBondContact O-CG2 3.45Å; M151-V155 PolarHBondContact O-N 2.89Å; M151-V155 VanDerWaalsContact O-N 3.08Å
152V84.2Confident74.9Confident69 Ų6999.6 Ų99.642%0.41855%0.549SS..Hα-helixtrans-62.9-47.9171.9167.50000110.9V148 L154 V155 E156V148-V152 WeakPolarHBondContact O-CB 3.5Å; V148-V152 VanDerWaalsContact O-CG2 3.27Å; V148-V152 WeakPolarHBondContact O-CG2 3.29Å; V148-V152 PolarHBondContact O-N 2.79Å; V152-L154 VanDerWaalsContact C-N 3.3Å; V152-L154 PolarHBondContact O-N 3.01Å; V152-V155 PolarHBondContact O-N 2.91Å; V152-V155 VanDerWaalsContact O-N 3.08Å; V152-E156 HydrophobicContact CG1-CG 4.23Å; V152-E156 WeakPolarHBondContact O-CG 3.45Å; V152-E156 PolarHBondContact O-N 3.13Å
153A85.1Confident76.2Confident48 Ų4895.8 Ų95.840%0.39753%0.534SS..Hα-helixtrans-59.1-39.2177.800000112.7A149 E150 Q157A149-A153 WeakPolarHBondContact O-CB 3.11Å; A149-A153 PolarHBondContact O-N 2.86Å; E150-A153 PolarHBondContact O-N 3.23Å; A153-Q157 WeakPolarHBondContact O-CB 3.22Å; A153-Q157 PolarHBondContact O-N 3.12Å
154L83.9Confident77Confident60 Ų6096.9 Ų96.931%0.31453%0.531SS..Hα-helixtrans-66.8-35.2174.8-81.2164.6000113.1L146 E150 M151 V152 R158L146-L154 HydrophobicContact CD1-CD1 3.85Å; L146-L154 HydrophobicContact CD2-CD1 4.48Å; E150-L154 WeakPolarHBondContact O-CB 3.35Å; E150-L154 WeakPolarHBondContact O-CG 3.36Å; E150-L154 PolarHBondContact O-N 3.29Å; M151-L154 PolarHBondContact O-N 3.47Å; V152-L154 VanDerWaalsContact C-N 3.3Å; V152-L154 PolarHBondContact O-N 3.01Å; L154-R158 WeakPolarHBondContact O-CB 3.45Å; L154-R158 VanDerWaalsContact O-CG 3.24Å; L154-R158 WeakPolarHBondContact O-CG 3.26Å; L154-R158 PolarHBondContact O-N 3.32Å; L154-R158 VanDerWaalsContact O-N 3.09Å
155V89.8Confident77.3Confident89 Ų8992.1 Ų92.154%0.53952%0.515SS..Hα-helixtrans-68.5-51.3173.41700000110.3M151 V152 Q157 R158 T159M151-V155 WeakPolarHBondContact O-CG2 3.45Å; M151-V155 PolarHBondContact O-N 2.89Å; M151-V155 VanDerWaalsContact O-N 3.08Å; V152-V155 PolarHBondContact O-N 2.91Å; V152-V155 VanDerWaalsContact O-N 3.08Å; V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 2.69Å; V155-R158 PolarHBondContact O-N 3.34Å; V155-R158 VanDerWaalsContact O-N 3.16Å; V155-T159 PolarHBondContact O-N 3.42Å; V155-T159 PolarHBondContact O-OG1 3.16Å; V155-T159 VanDerWaalsContact O-OG1 3.11Å
156E90.3Very high77.3Confident130 Ų13090 Ų9061%0.60750%0.503SS*.Hα-helixtrans-57.8-42.3177.6-70.3178.5162.700111.8V152 T159 A160V152-E156 HydrophobicContact CG1-CG 4.23Å; V152-E156 WeakPolarHBondContact O-CG 3.45Å; V152-E156 PolarHBondContact O-N 3.13Å; E156-T159 PolarHBondContact O-N 3.32Å; E156-A160 WeakPolarHBondContact O-CB 3.36Å; E156-A160 PolarHBondContact O-N 2.68Å
157Q80Confident76.8Confident105 Ų10591.1 Ų91.149%0.49151%0.513SS..Hα-helixtrans-62.7-44.1176-175.518021.700112.3A153 V155 A160 M161A153-Q157 WeakPolarHBondContact O-CB 3.22Å; A153-Q157 PolarHBondContact O-N 3.12Å; V155-Q157 VanDerWaalsContact C-N 3.31Å; V155-Q157 PolarHBondContact O-N 2.69Å; Q157-A160 PolarHBondContact O-N 3.45Å; Q157-M161 HydrophobicContact CG-CE 4.02Å; Q157-M161 WeakPolarHBondContact O-CG 3.49Å; Q157-M161 PolarHBondContact O-N 2.93Å
158R79.5Confident75.7Confident187 Ų18790.4 Ų90.471%0.70651%0.51SS*.Hα-helixtrans-65.7-42.2176.5-75.4173.6-179-167.91.3111.6L154 V155 M161 A162L154-R158 WeakPolarHBondContact O-CB 3.45Å; L154-R158 VanDerWaalsContact O-CG 3.24Å; L154-R158 WeakPolarHBondContact O-CG 3.26Å; L154-R158 PolarHBondContact O-N 3.32Å; L154-R158 VanDerWaalsContact O-N 3.09Å; V155-R158 PolarHBondContact O-N 3.34Å; V155-R158 VanDerWaalsContact O-N 3.16Å; R158-M161 PolarHBondContact O-N 2.84Å; R158-A162 WeakPolarHBondContact O-CB 3.08Å; R158-A162 PolarHBondContact O-N 3.48Å
159T83.1Confident74.9Confident75 Ų7589.1 Ų89.146%0.4650%0.503SS..Hα-helixtrans-62.7-42.2175.1-57.90000111.5V155 E156 A162 L163V155-T159 PolarHBondContact O-N 3.42Å; V155-T159 PolarHBondContact O-OG1 3.16Å; V155-T159 VanDerWaalsContact O-OG1 3.11Å; E156-T159 PolarHBondContact O-N 3.32Å; T159-A162 PolarHBondContact O-N 3.11Å; T159-L163 HydrophobicContact CG2-CD1 4.15Å; T159-L163 WeakPolarHBondContact O-CG 3.45Å; T159-L163 PolarHBondContact O-N 3.3Å
160A78.3Confident73.9Confident45 Ų4591.6 Ų91.637%0.37250%0.502SS..Hα-helixtrans-62.2-43.1176.300000112.5E156 Q157 L163 Q164E156-A160 WeakPolarHBondContact O-CB 3.36Å; E156-A160 PolarHBondContact O-N 2.68Å; Q157-A160 PolarHBondContact O-N 3.45Å; A160-L163 PolarHBondContact O-N 3.04Å; A160-Q164 WeakPolarHBondContact O-CG 3.45Å; A160-Q164 PolarHBondContact O-N 3.25Å
161M75.4Confident72.2Confident112 Ų11291 Ų9155%0.55251%0.508SS*.Hα-helixtrans-64.8-40.4174.8-70.5-174.4-171.800112.4Q157 R158 L163 Q164 G165Q157-M161 HydrophobicContact CG-CE 4.02Å; Q157-M161 WeakPolarHBondContact O-CG 3.49Å; Q157-M161 PolarHBondContact O-N 2.93Å; R158-M161 PolarHBondContact O-N 2.84Å; M161-L163 PolarHBondContact O-N 3.24Å; M161-Q164 PolarHBondContact O-N 3.09Å; M161-G165 PolarHBondContact O-N 3.34Å
162A72.3Confident70.4Confident59 Ų5992.2 Ų92.249%0.48852%0.517SS..Hα-helixtrans-62-42.4176.800000112R158 T159 G165 I166R158-A162 WeakPolarHBondContact O-CB 3.08Å; R158-A162 PolarHBondContact O-N 3.48Å; T159-A162 PolarHBondContact O-N 3.11Å; A162-G165 PolarHBondContact O-N 2.97Å; A162-I166 WeakPolarHBondContact O-CG1 3.41Å; A162-I166 PolarHBondContact O-N 3.13Å; A162-I166 VanDerWaalsContact O-N 3.11Å
163L73.5Confident68.5Low102 Ų10296 Ų9653%0.53453%0.53SS..Hα-helixtrans-65.1-39.1175.4-69.4169.8000112.3T159 A160 M161 G165 I166 V167T159-L163 HydrophobicContact CG2-CD1 4.15Å; T159-L163 WeakPolarHBondContact O-CG 3.45Å; T159-L163 PolarHBondContact O-N 3.3Å; A160-L163 PolarHBondContact O-N 3.04Å; M161-L163 PolarHBondContact O-N 3.24Å; L163-G165 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 3.43Å; L163-I166 PolarHBondContact O-N 2.88Å; L163-V167 WeakPolarHBondContact O-CG2 3.45Å; L163-V167 PolarHBondContact O-N 3.41Å; L163-V167 VanDerWaalsContact O-N 3.09Å
164Q68.3Low66.3Low136 Ų136101.1 Ų101.164%0.63655%0.546SS*.Hα-helixtrans-62.1-38.5173.1-72.6172.48.900112.1A160 M161 V167 A168A160-Q164 WeakPolarHBondContact O-CG 3.45Å; A160-Q164 PolarHBondContact O-N 3.25Å; M161-Q164 PolarHBondContact O-N 3.09Å; Q164-V167 PolarHBondContact O-N 3.31Å; Q164-A168 WeakPolarHBondContact O-CB 3.38Å; Q164-A168 PolarHBondContact O-N 3Å
165G63.5Low64Low37 Ų37106.1 Ų106.138%0.38157%0.567SS.*Hα-helixtrans-60.1-44.5172.900000113M161 A162 L163 V167 A168 V169M161-G165 PolarHBondContact O-N 3.34Å; A162-G165 PolarHBondContact O-N 2.97Å; L163-G165 VanDerWaalsContact C-N 3.31Å; L163-G165 PolarHBondContact O-N 3.43Å; G165-V167 PolarHBondContact O-N 3.08Å; G165-A168 PolarHBondContact O-N 3.29Å; G165-V169 WeakPolarHBondContact O-CG2 3.45Å; G165-V169 PolarHBondContact O-N 3.31Å
166I59Low61.4Low105 Ų105111.1 Ų111.154%0.53858%0.584SS.*Hα-helixtrans-62.9-42.9178.3-66.9163.6000111.2A162 L163 V169 H170A162-I166 WeakPolarHBondContact O-CG1 3.41Å; A162-I166 PolarHBondContact O-N 3.13Å; A162-I166 VanDerWaalsContact O-N 3.11Å; L163-I166 PolarHBondContact O-N 2.88Å; I166-V169 PolarHBondContact O-N 3.45Å; I166-H170 PolarHBondContact O-N 3.33Å
167V57.9Low58.6Low97 Ų97114.5 Ų114.559%0.58860%0.6SS**Hα-helixtrans-63.3-42.5176.3174.50000111.4L163 Q164 G165 V169 H170 S171L163-V167 WeakPolarHBondContact O-CG2 3.45Å; L163-V167 PolarHBondContact O-N 3.41Å; L163-V167 VanDerWaalsContact O-N 3.09Å; Q164-V167 PolarHBondContact O-N 3.31Å; G165-V167 PolarHBondContact O-N 3.08Å; V167-V169 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.25Å; V167-H170 PolarHBondContact O-N 3.4Å; V167-S171 PolarHBondContact O-N 2.9Å; V167-S171 VanDerWaalsContact O-N 3.09Å; V167-S171 PolarHBondContact O-OG 3.4Å; V167-S171 VanDerWaalsContact O-OG 3.13Å
168A53.3Low56.1Low52 Ų52114.7 Ų114.743%0.4361%0.613SS.*Hα-helixtrans-65.4-33.1177.300000113.5Q164 G165 N172Q164-A168 WeakPolarHBondContact O-CB 3.38Å; Q164-A168 PolarHBondContact O-N 3Å; G165-A168 PolarHBondContact O-N 3.29Å; A168-N172 PolarHBondContact O-ND2 3.3Å
169V55.4Low53.8Low88 Ų88113 Ų11353%0.53362%0.617SS.*Hα-helixtrans-70.8-43.6174.4170.30000111.2G165 I166 V167 S171 N172G165-V169 WeakPolarHBondContact O-CG2 3.45Å; G165-V169 PolarHBondContact O-N 3.31Å; I166-V169 PolarHBondContact O-N 3.45Å; V167-V169 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.25Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 2.97Å; V169-N172 PolarHBondContact O-N 2.96Å
170H54.3Low51.2Low124 Ų124114.7 Ų114.757%0.57463%0.627SS**Hα-helixtrans-62.8-38177.6-109.7-115.7000112.8I166 V167 N172 Q173I166-H170 PolarHBondContact O-N 3.33Å; V167-H170 PolarHBondContact O-N 3.4Å; H170-N172 PolarHBondContact O-N 3.09Å; H170-Q173 PolarHBondContact O-N 3.41Å
171S45.1Very low48.8Very low86 Ų86118.5 Ų118.560%0.60165%0.646SS**Hα-helixtrans-61.7-27.4177.2-61.40000114V167 V169V167-S171 PolarHBondContact O-N 2.9Å; V167-S171 VanDerWaalsContact O-N 3.09Å; V167-S171 PolarHBondContact O-OG 3.4Å; V167-S171 VanDerWaalsContact O-OG 3.13Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 2.97Å
172N46.7Very low46.6Very low131 Ų131118.6 Ų118.670%0.70165%0.653SS**Hα-helixtrans-89.7-11.1-176.2-79.1-70000114.7A168 V169 H170A168-N172 PolarHBondContact O-ND2 3.3Å; V169-N172 PolarHBondContact O-N 2.96Å; H170-N172 PolarHBondContact O-N 3.09Å
173Q43.8Very low44.5Very low148 Ų148123.3 Ų123.369%0.69267%0.665SS**Hα-helixtrans-82.3-16.8178.1-69.7-166.319.600114.2H170 H175H170-Q173 PolarHBondContact O-N 3.41Å; Q173-H175 VanDerWaalsContact C-N 3.29Å; Q173-H175 PolarHBondContact O-N 3.49Å
174H38.4Very low42.2Very low156 Ų156123.1 Ų123.172%0.72267%0.672SS**THydrogen-bonded Turntrans-81.31.4-177-80.4-76.8000115.1
175H36.7Very low40.3Very low165 Ų165123.5 Ų123.576%0.76468%0.684SS**SBendtrans-132.366.3178.9-89.616.3000112.6Q173Q173-H175 VanDerWaalsContact C-N 3.29Å; Q173-H175 PolarHBondContact O-N 3.49Å
176H33.9Very low38.7Very low194 Ų194128 Ų12890%0.89870%0.703SS**  trans-170.576.6141.2-97.7-59.3000111.1
177Q32.9Very low37.2Very low201 Ų201128.4 Ų128.494%0.93972%0.716SS**  trans-142.983171.6-144.2-170.4108.400111.9
178S26.9Very low35.9Very low109 Ų109130.3 Ų130.376%0.76272%0.723SS**  trans-170.4110.2157.1-162.90000111.3
179L31.4Very low35.5Very low150 Ų150133.2 Ų133.279%0.78574%0.737SS**  176.7119.7119.2-113.285.4000112.3
180T28.6Very low34.5Very low112 Ų112134.1 Ų134.169%0.68775%0.748SS**  trans45.8102.3142.858.50000123.2
181T27.1Very low34Very low124 Ų124134.2 Ų134.276%0.76176%0.759SS**  51.6130.2114.5-23.40000122.9
182T28.6Very low33.2Very low115 Ų115138.6 Ų138.671%0.70677%0.772SS**  trans130.9137133.759.60000118.9
183H29Very low32.4Very low158 Ų158141 Ų14173%0.73178%0.784SS**  trans55.8105.2150.5-61.2-48.3000124.1
184S25.6Very low31.6Very low98 Ų98142.2 Ų142.269%0.68579%0.787SS**  57.9142.6107.9-48.90000123.5
185T28.2Very low31Very low143 Ų143144 Ų14488%0.87780%0.796SS**  trans94.2145.2155.764.10000121.2
186V30Very low30.6Very low131 Ų131139.8 Ų139.879%0.79479%0.785SS**  trans-65148-175.5-80.70000115.5
187S28.2Very low30.3Very low115 Ų115138.4 Ų138.480%0.80479%0.785SS**  176.3149.7110.4-71.90000113
188D29.9Very low30.1Very low137 Ų137132.2 Ų132.273%0.73377%0.774SS**  trans-84.8147.7158.9-175.737000108.3S190D188-S190 PolarHBondContact OD1-N 3.33Å
189P44.4Very low30.2Very low112 Ų112133 Ų13373%0.72778%0.78SS**  -149153.89338.4-20.9000116.3
190S35Very low30.3Very low108 Ų108133.6 Ų133.676%0.75578%0.784SS**  trans-77.7151.5159.5-61.30000112.9D188D188-S190 PolarHBondContact OD1-N 3.33Å
191P44.3Very low30.2Very low125 Ų125134.4 Ų134.481%0.81279%0.794SS**  trans-124155.3150.836.8-27.2000113.5
192M28Very low30.4Very low179 Ų179137.9 Ų137.988%0.88280%0.802SS**  trans-75.7156.8179.2-57.8173.2177.500113.2
193L29.4Very low30.3Very low181 Ų181137 Ų13795%0.94881%0.806SS**  trans-136.5149.2133.5-95.5177.9000109.9
194F27.1Very low30.2Very low174 Ų174134.3 Ų134.376%0.76381%0.811SS**  trans-148.3122.8-173.8-173.7-78.4000108.7S196F194-S196 VanDerWaalsContact CE1-OG 3.26Å; F194-S196 WeakPolarHBondContact CE1-OG 3.46Å
195E24.7Very low30.2Very low193 Ų193134.3 Ų134.390%0.90281%0.811SS**  trans-133.6155.9166.3-87.1-171.2121.100109.9
196S30.3Very low30.1Very low77 Ų77135.5 Ų135.554%0.53881%0.807SS.*  trans-158.2176.2-169.3-79.60000111.1F194F194-S196 VanDerWaalsContact CE1-OG 3.26Å; F194-S196 WeakPolarHBondContact CE1-OG 3.46Å
197N26.8Very low30.3Very low165 Ų165134.5 Ų134.588%0.88281%0.806SS**  trans86.2125.8-174.6-45.9-21.3000112.6
198G28.2Very low30.3Very low70 Ų70138.6 Ų138.672%0.72281%0.812SS**  cis114.2124.5-4.500000113.3
199S29.5Very low30.6Very low127 Ų127141.1 Ų141.189%0.88882%0.817SS**  trans-168.8137.7167.8-77.60000110.7
200D32.6Very low29.9Very low161 Ų161141.6 Ų141.686%0.86182%0.82SS**  trans-85.8157.6177.1-71-75.1000113.7
201S28Very low29.7Very low129 Ų129141.6 Ų141.690%0.90282%0.82SS**  trans-163.8150.5148.7-82.70000111.6
202Q29.8Very low29.1Very low197 Ų197139.9 Ų139.992%0.92181%0.811SS**  trans-108.6163.9-172.7-66.6-175.4-54.300114.3
203A27.5Very low29.5Very low96 Ų96137 Ų13779%0.79381%0.805SS**  trans95.4124.2145.200000120.5
204A27.3Very low30.4Very low103 Ų103134.9 Ų134.985%0.85179%0.793SS**  trans43.5139.8148.800000120.4
205S25.6Very low31.3Very low98 Ų98135.1 Ų135.169%0.68580%0.797SS**  cis-157.5177.136.361.40000114.8
206E26.2Very low32.4Very low168 Ų168130.8 Ų130.879%0.78578%0.784SS**  trans59.5106.1153-73.7175.6110.300122.4
207S32.7Very low33.4Very low110 Ų110131.4 Ų131.477%0.76978%0.781SS**  46.983.7113.2-55.10000119.7
208Q29.6Very low34.4Very low200 Ų200131 Ų13194%0.93577%0.774SS**  trans-148145.6142.6-118.8161.970.200112.8
209K35Very low35.5Very low191 Ų191134.5 Ų134.583%0.8377%0.772SS**  trans-119.2111.5-170.5175.4-165.5176.9-174.60110.1
210P29.8Very low36.6Very low122 Ų122135.1 Ų135.179%0.79276%0.759SS**PPolyproline II helixtrans-79136.5163.2-6.124000110.1
211S31.6Very low38Very low107 Ų107133.4 Ų133.475%0.74875%0.745SS**PPolyproline II helixtrans-88.1142.1168.345.80000111.2
212S31.9Very low39.5Very low90 Ų90133.9 Ų133.963%0.62973%0.733SS**PPolyproline II helixtrans-72.4145.5-179.354.30000114.7
213P36.8Very low41Very low118 Ų118130.8 Ų130.877%0.76672%0.719SS**  trans-106.277.5155.736.4-26000110.8Q215P213-Q215 PolarHBondContact O-N 3.04Å
214I46.7Very low42.8Very low136 Ų136130.5 Ų130.570%0.69770%0.701SS**THydrogen-bonded Turntrans-84.597.3175.3-64.8155.8000108.4
215Q46.1Very low44.7Very low180 Ų180131.4 Ų131.484%0.84169%0.688SS**THydrogen-bonded Turntrans-158.9-10168.5-131167.85.800116.3P213P213-Q215 PolarHBondContact O-N 3.04Å
216T49.3Very low47Very low102 Ų102130.6 Ų130.663%0.62668%0.682SS**SBendtrans-93.9-27.3-178.739.10000114.6Q218T216-Q218 PolarHBondContact O-N 3.01Å
217D49.7Very low49.7Very low89 Ų89130 Ų13048%0.47667%0.674SS.*Hα-helixtrans-74.8-34.6-161.2-43.5-35.8000111.9E219 F220 E221D217-E219 PolarHBondContact O-N 2.92Å; D217-F220 PolarHBondContact O-N 3.44Å; D217-E221 WeakPolarHBondContact O-CG 3.4Å; D217-E221 PolarHBondContact O-N 3.3Å
218Q49.6Very low52.1Low156 Ų156130.3 Ų130.373%0.72966%0.658SS**Hα-helixtrans-68.5-34.1-177.9179.6155.265.300113.5T216 E222T216-Q218 PolarHBondContact O-N 3.01Å; Q218-E222 WeakPolarHBondContact O-CB 3.49Å; Q218-E222 PolarHBondContact O-N 3.02Å; Q218-E222 VanDerWaalsContact O-N 3.09Å
219E49.7Very low54.6Low145 Ų145125 Ų12568%0.67864%0.639SS**Hα-helixtrans-72.8-37.4177.3-156.7165.8158.400110.1D217 E222 E223D217-E219 PolarHBondContact O-N 2.92Å; E219-E222 PolarHBondContact O-N 3.33Å; E219-E223 PolarHBondContact O-N 3.04Å
220F53.3Low56.9Low140 Ų140118.5 Ų118.561%0.61462%0.621SS**Hα-helixtrans-71.7-34.1175.6-155.9-103.8000113D217 Q224D217-F220 PolarHBondContact O-N 3.44Å; F220-Q224 VanDerWaalsContact O-CB 3.22Å; F220-Q224 WeakPolarHBondContact O-CB 3.45Å; F220-Q224 PolarHBondContact O-N 3.1Å
221E61.4Low59.4Low124 Ų124118.4 Ų118.458%0.57961%0.61SS**Hα-helixtrans-65.7-43.2170.5-77-174.3143.100111.7D217 Q224 E225D217-E221 WeakPolarHBondContact O-CG 3.4Å; D217-E221 PolarHBondContact O-N 3.3Å; E221-Q224 PolarHBondContact O-N 2.82Å; E221-E225 WeakPolarHBondContact O-CG 3.29Å; E221-E225 PolarHBondContact O-N 3.12Å
222E60.2Low61.9Low139 Ų139115.4 Ų115.465%0.6559%0.591SS**Hα-helixtrans-67-39.3178.3-168.6168.2-167.200112Q218 E219 E225 S226Q218-E222 WeakPolarHBondContact O-CB 3.49Å; Q218-E222 PolarHBondContact O-N 3.02Å; Q218-E222 VanDerWaalsContact O-N 3.09Å; E219-E222 PolarHBondContact O-N 3.33Å; E222-E225 PolarHBondContact O-N 2.92Å; E222-S226 WeakPolarHBondContact O-CB 3.29Å; E222-S226 PolarHBondContact O-N 3.27Å
223E60.8Low64.4Low132 Ų132115.2 Ų115.262%0.61758%0.582SS**Hα-helixtrans-63.7-39.8169.8-74.9-164.5124.600112.4E219 S226 Y227E219-E223 PolarHBondContact O-N 3.04Å; E223-S226 WeakPolarHBondContact O-CB 3.45Å; E223-S226 PolarHBondContact O-N 3.02Å; E223-Y227 WeakPolarHBondContact O-CB 3.41Å; E223-Y227 PolarHBondContact O-N 3.22Å
224Q66.6Low66.7Low90 Ų90112.3 Ų112.342%0.42157%0.569SS.*Hα-helixtrans-72.9-32179.3-164.3-17683.300112.4F220 E221 R228F220-Q224 VanDerWaalsContact O-CB 3.22Å; F220-Q224 WeakPolarHBondContact O-CB 3.45Å; F220-Q224 PolarHBondContact O-N 3.1Å; E221-Q224 PolarHBondContact O-N 2.82Å; Q224-R228 WeakPolarHBondContact O-CB 3.28Å; Q224-R228 WeakPolarHBondContact O-CG 3.47Å; Q224-R228 PolarHBondContact O-N 2.92Å; Q224-R228 PolarHBondContact O-NE 3.36Å; Q224-R228 VanDerWaalsContact OE1-CZ 3.27Å; Q224-R228 VanDerWaalsContact OE1-NH2 3.12Å
225E65.6Low68.4Low123 Ų123111.2 Ų111.258%0.57556%0.56SS**Hα-helixtrans-67.5-43.7167.5-73.6-164.9155.200111.8E221 E222 Y227 R228 V229E221-E225 WeakPolarHBondContact O-CG 3.29Å; E221-E225 PolarHBondContact O-N 3.12Å; E222-E225 PolarHBondContact O-N 2.92Å; E225-Y227 VanDerWaalsContact C-N 3.32Å; E225-Y227 PolarHBondContact O-N 3.42Å; E225-R228 PolarHBondContact O-N 3.14Å; E225-R228 VanDerWaalsContact O-N 3.17Å; E225-V229 WeakPolarHBondContact O-CB 3.26Å; E225-V229 WeakPolarHBondContact O-CG2 3.49Å; E225-V229 PolarHBondContact O-N 3.12Å
226S75.1Confident70.1Confident80 Ų80108.9 Ų108.956%0.55955%0.548SS*.Hα-helixtrans-56.3-44.7173.3-174.40000111.8E222 E223 V229 A230E222-S226 WeakPolarHBondContact O-CB 3.29Å; E222-S226 PolarHBondContact O-N 3.27Å; E223-S226 WeakPolarHBondContact O-CB 3.45Å; E223-S226 PolarHBondContact O-N 3.02Å; S226-V229 PolarHBondContact O-N 2.77Å; S226-A230 WeakPolarHBondContact O-CB 3.28Å; S226-A230 PolarHBondContact O-N 2.87Å
227Y81.7Confident71.6Confident157 Ų157109.9 Ų109.962%0.61655%0.545SS*.Hα-helixtrans-62.1-46174.3-175.2-92.3000112.5E223 E225 V229 A230 Q231E223-Y227 WeakPolarHBondContact O-CB 3.41Å; E223-Y227 PolarHBondContact O-N 3.22Å; E225-Y227 VanDerWaalsContact C-N 3.32Å; E225-Y227 PolarHBondContact O-N 3.42Å; Y227-V229 VanDerWaalsContact C-N 3.34Å; Y227-V229 PolarHBondContact O-N 2.95Å; Y227-A230 PolarHBondContact O-N 3.28Å; Y227-Q231 WeakPolarHBondContact O-CB 3.5Å; Y227-Q231 PolarHBondContact O-N 2.93Å
228R82.8Confident73.1Confident115 Ų115108.3 Ų108.343%0.43454%0.541SS..Hα-helixtrans-61.4-40.2176.3-78179.8-76.3-120.4-2.8112.3Q224 E225 A232Q224-R228 WeakPolarHBondContact O-CB 3.28Å; Q224-R228 WeakPolarHBondContact O-CG 3.47Å; Q224-R228 PolarHBondContact O-N 2.92Å; Q224-R228 PolarHBondContact O-NE 3.36Å; Q224-R228 VanDerWaalsContact OE1-CZ 3.27Å; Q224-R228 VanDerWaalsContact OE1-NH2 3.12Å; E225-R228 PolarHBondContact O-N 3.14Å; E225-R228 VanDerWaalsContact O-N 3.17Å; R228-A232 WeakPolarHBondContact O-CB 3.19Å; R228-A232 PolarHBondContact O-N 2.76Å
229V82.4Confident74.3Confident88 Ų88105 Ų10553%0.53353%0.526SS..Hα-helixtrans-67.3-44.8176.5169.90000111E225 S226 Y227 Q231 A232 I233E225-V229 WeakPolarHBondContact O-CB 3.26Å; E225-V229 WeakPolarHBondContact O-CG2 3.49Å; E225-V229 PolarHBondContact O-N 3.12Å; S226-V229 PolarHBondContact O-N 2.77Å; Y227-V229 VanDerWaalsContact C-N 3.34Å; Y227-V229 PolarHBondContact O-N 2.95Å; V229-Q231 VanDerWaalsContact C-N 3.34Å; V229-Q231 PolarHBondContact O-N 3.47Å; V229-A232 PolarHBondContact O-N 2.81Å; V229-I233 HydrophobicContact CG1-CD1 3.79Å; V229-I233 HydrophobicContact CG1-CG1 4.45Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.21Å; V229-I233 PolarHBondContact O-N 3.14Å
230A83.1Confident75.4Confident56 Ų56102.1 Ų102.146%0.46352%0.518SS..Hα-helixtrans-61.2-41.8175.600000112.1S226 Y227 I233 A234S226-A230 WeakPolarHBondContact O-CB 3.28Å; S226-A230 PolarHBondContact O-N 2.87Å; Y227-A230 PolarHBondContact O-N 3.28Å; A230-I233 PolarHBondContact O-N 2.8Å; A230-A234 WeakPolarHBondContact O-CB 3.1Å; A230-A234 PolarHBondContact O-N 3.44Å
231Q83.6Confident76.2Confident120 Ų12099.5 Ų99.556%0.56151%0.51SS*.Hα-helixtrans-64.1-40.6175.5-170.8177.514.700112.1Y227 V229 H235Y227-Q231 WeakPolarHBondContact O-CB 3.5Å; Y227-Q231 PolarHBondContact O-N 2.93Å; V229-Q231 VanDerWaalsContact C-N 3.34Å; V229-Q231 PolarHBondContact O-N 3.47Å; Q231-H235 WeakPolarHBondContact O-CB 3.39Å; Q231-H235 PolarHBondContact O-N 3.37Å
232A84.1Confident76.6Confident43 Ų4397.9 Ų97.936%0.35550%0.502SS..Hα-helixtrans-66.1-42.4175.400000112.3R228 V229 H235 F236R228-A232 WeakPolarHBondContact O-CB 3.19Å; R228-A232 PolarHBondContact O-N 2.76Å; V229-A232 PolarHBondContact O-N 2.81Å; A232-H235 PolarHBondContact O-N 2.89Å; A232-F236 WeakPolarHBondContact O-CD2 3.13Å; A232-F236 PolarHBondContact O-N 2.78Å
233I83.2Confident76.8Confident86 Ų8695.5 Ų95.544%0.44149%0.494SS..Hα-helixtrans-60.5-49.3175.2-69.3165.8000110.3V229 A230 H235 F236 E237V229-I233 HydrophobicContact CG1-CD1 3.79Å; V229-I233 HydrophobicContact CG1-CG1 4.45Å; V229-I233 VanDerWaalsContact O-CG1 3.3Å; V229-I233 WeakPolarHBondContact O-CG1 3.21Å; V229-I233 PolarHBondContact O-N 3.14Å; A230-I233 PolarHBondContact O-N 2.8Å; I233-H235 VanDerWaalsContact C-N 3.27Å; I233-H235 PolarHBondContact O-N 3.15Å; I233-F236 PolarHBondContact O-N 3.44Å; I233-F236 VanDerWaalsContact O-N 3.11Å; I233-E237 HydrophobicContact CG2-CG 4.29Å; I233-E237 WeakPolarHBondContact O-CG 3.31Å; I233-E237 PolarHBondContact O-N 2.8Å
234A85.8Confident76.8Confident58 Ų5896.7 Ų96.748%0.47949%0.493SS..Hα-helixtrans-58.9-37.8177.700000112.5A230 E237 S238A230-A234 WeakPolarHBondContact O-CB 3.1Å; A230-A234 PolarHBondContact O-N 3.44Å; A234-E237 PolarHBondContact O-N 3.09Å; A234-S238 WeakPolarHBondContact O-CB 3.14Å; A234-S238 PolarHBondContact O-N 3.07Å
235H82.3Confident76.4Confident113 Ų11398.3 Ų98.352%0.52350%0.504SS..Hα-helixtrans-64.9-45.6173.7-178.4-80.3000112.2Q231 A232 I233 S238 Q239Q231-H235 WeakPolarHBondContact O-CB 3.39Å; Q231-H235 PolarHBondContact O-N 3.37Å; A232-H235 PolarHBondContact O-N 2.89Å; I233-H235 VanDerWaalsContact C-N 3.27Å; I233-H235 PolarHBondContact O-N 3.15Å; H235-S238 PolarHBondContact O-N 3.39Å; H235-Q239 VanDerWaalsContact O-CB 3.29Å; H235-Q239 WeakPolarHBondContact O-CB 3.32Å; H235-Q239 PolarHBondContact O-N 3.03Å
236F81.8Confident75.8Confident130 Ų13098.4 Ų98.457%0.5750%0.504SS*.Hα-helixtrans-65.3-36.8175.8-72.8-58.8000112.6A232 I233 T240A232-F236 WeakPolarHBondContact O-CD2 3.13Å; A232-F236 PolarHBondContact O-N 2.78Å; I233-F236 PolarHBondContact O-N 3.44Å; I233-F236 VanDerWaalsContact O-N 3.11Å; F236-T240 VanDerWaalsContact O-CB 3.22Å; F236-T240 WeakPolarHBondContact O-CB 3.48Å; F236-T240 PolarHBondContact O-N 3.1Å; F236-T240 PolarHBondContact O-OG1 3.12Å
237E80.5Confident74.6Confident124 Ų124102 Ų10258%0.57952%0.517SS*.Hα-helixtrans-67.7-43175.8-72.3-175.4162.200111.8I233 A234 T240 L241I233-E237 HydrophobicContact CG2-CG 4.29Å; I233-E237 WeakPolarHBondContact O-CG 3.31Å; I233-E237 PolarHBondContact O-N 2.8Å; A234-E237 PolarHBondContact O-N 3.09Å; E237-T240 CarbonylContact O-C 3.53Å; E237-T240 PolarHBondContact O-N 3.32Å; E237-L241 WeakPolarHBondContact O-CG 3.35Å; E237-L241 PolarHBondContact O-N 3.11Å
238S81.3Confident72.9Confident56 Ų5697.9 Ų97.939%0.39252%0.521SS..Hα-helixtrans-60.6-49.8172.6-161.50000111.2A234 H235 T240 L241 E242A234-S238 WeakPolarHBondContact O-CB 3.14Å; A234-S238 PolarHBondContact O-N 3.07Å; H235-S238 PolarHBondContact O-N 3.39Å; S238-T240 PolarHBondContact O-N 2.92Å; S238-L241 CarbonylContact O-C 3.47Å; S238-L241 WeakPolarHBondContact O-CA 3.3Å; S238-L241 WeakPolarHBondContact O-CB 3.49Å; S238-L241 PolarHBondContact O-N 3Å; S238-E242 WeakPolarHBondContact O-CB 3.4Å; S238-E242 WeakPolarHBondContact O-CG 3.4Å; S238-E242 PolarHBondContact O-N 3.45Å; S238-E242 PolarHBondContact OG-OE1 3.46Å
239Q75.1Confident71Confident85 Ų8596.7 Ų96.740%0.39753%0.53SS..Hα-helixtrans-64.3-28.2179-170.7166.274.100112.6H235 N243H235-Q239 VanDerWaalsContact O-CB 3.29Å; H235-Q239 WeakPolarHBondContact O-CB 3.32Å; H235-Q239 PolarHBondContact O-N 3.03Å; Q239-N243 VanDerWaalsContact O-CB 3.25Å; Q239-N243 WeakPolarHBondContact O-CB 3.31Å; Q239-N243 VanDerWaalsContact O-CG 3.28Å; Q239-N243 PolarHBondContact O-N 3.37Å; Q239-N243 PolarHBondContact O-ND2 2.91Å
240T72.4Confident69.1Low85 Ų8596.5 Ų96.552%0.52155%0.546SS..Hα-helixtrans-81.5-23.7173.6-55.80000112.8F236 E237 S238 R244F236-T240 VanDerWaalsContact O-CB 3.22Å; F236-T240 WeakPolarHBondContact O-CB 3.48Å; F236-T240 PolarHBondContact O-N 3.1Å; F236-T240 PolarHBondContact O-OG1 3.12Å; E237-T240 CarbonylContact O-C 3.53Å; E237-T240 PolarHBondContact O-N 3.32Å; S238-T240 PolarHBondContact O-N 2.92Å; T240-R244 WeakPolarHBondContact O-CB 3.5Å; T240-R244 PolarHBondContact O-N 2.89Å; T240-R244 PolarHBondContact O-NE 2.79Å
241L70Confident66.7Low85 Ų8599.7 Ų99.745%0.44557%0.565SS.*Hα-helixtrans-72.4-49.5166.4-80.8158000110.5E237 S238 R244 L245E237-L241 WeakPolarHBondContact O-CG 3.35Å; E237-L241 PolarHBondContact O-N 3.11Å; S238-L241 CarbonylContact O-C 3.47Å; S238-L241 WeakPolarHBondContact O-CA 3.3Å; S238-L241 WeakPolarHBondContact O-CB 3.49Å; S238-L241 PolarHBondContact O-N 3Å; L241-R244 VanDerWaalsContact CD2-NH2 3.25Å; L241-R244 CarbonylContact O-C 3.58Å; L241-R244 WeakPolarHBondContact O-CB 3.21Å; L241-R244 PolarHBondContact O-N 3.34Å; L241-L245 VanDerWaalsContact O-CG 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.5Å; L241-L245 PolarHBondContact O-N 3.26Å
242E71Confident64.3Low90 Ų9097.3 Ų97.342%0.42157%0.573SS.*Hα-helixtrans-59.7-50178.1-71158.7-13900111.8S238 R244 L245 H246S238-E242 WeakPolarHBondContact O-CB 3.4Å; S238-E242 WeakPolarHBondContact O-CG 3.4Å; S238-E242 PolarHBondContact O-N 3.45Å; S238-E242 PolarHBondContact OG-OE1 3.46Å; E242-R244 VanDerWaalsContact C-N 3.26Å; E242-R244 PolarHBondContact O-N 3.03Å; E242-L245 PolarHBondContact O-N 2.83Å; E242-L245 VanDerWaalsContact O-N 3.15Å; E242-H246 WeakPolarHBondContact O-CB 3.31Å; E242-H246 PolarHBondContact O-N 3.11Å
243N63Low62.1Low89 Ų89101.7 Ų101.748%0.47660%0.595SS.*Hα-helixtrans-61.7-33.4175.9-78.3-37.6000112.7Q239 L247Q239-N243 VanDerWaalsContact O-CB 3.25Å; Q239-N243 WeakPolarHBondContact O-CB 3.31Å; Q239-N243 VanDerWaalsContact O-CG 3.28Å; Q239-N243 PolarHBondContact O-N 3.37Å; Q239-N243 PolarHBondContact O-ND2 2.91Å; N243-L247 WeakPolarHBondContact O-CB 3.5Å; N243-L247 WeakPolarHBondContact O-CD1 3.3Å; N243-L247 PolarHBondContact O-N 3.46Å
244R61.4Low59.9Low158 Ų158103.4 Ų103.460%0.59661%0.611SS**Hα-helixtrans-73.8-30.7176.2170.5166.437.4138.7-6.4112.8T240 L241 E242 G248T240-R244 WeakPolarHBondContact O-CB 3.5Å; T240-R244 PolarHBondContact O-N 2.89Å; T240-R244 PolarHBondContact O-NE 2.79Å; L241-R244 VanDerWaalsContact CD2-NH2 3.25Å; L241-R244 CarbonylContact O-C 3.58Å; L241-R244 WeakPolarHBondContact O-CB 3.21Å; L241-R244 PolarHBondContact O-N 3.34Å; E242-R244 VanDerWaalsContact C-N 3.26Å; E242-R244 PolarHBondContact O-N 3.03Å; R244-G248 PolarHBondContact O-N 3.01Å
245L59.3Low57.3Low123 Ų123106 Ų10664%0.64463%0.626SS**Hα-helixtrans-74.4-38.4171.3-69.5166.1000111.1L241 E242 G248 S249L241-L245 VanDerWaalsContact O-CG 3.31Å; L241-L245 WeakPolarHBondContact O-CG 3.5Å; L241-L245 PolarHBondContact O-N 3.26Å; E242-L245 PolarHBondContact O-N 2.83Å; E242-L245 VanDerWaalsContact O-N 3.15Å; L245-G248 PolarHBondContact O-N 3.48Å; L245-S249 PolarHBondContact O-N 3.44Å
246H51.5Low54.8Low126 Ų126108.2 Ų108.258%0.58364%0.642SS**Hα-helixtrans-71.7-37.1176.1-67.7157.7000113.3E242 G248 S249E242-H246 WeakPolarHBondContact O-CB 3.31Å; E242-H246 PolarHBondContact O-N 3.11Å; H246-G248 PolarHBondContact O-N 3.29Å; H246-S249 CarbonylContact O-C 3.55Å; H246-S249 PolarHBondContact O-N 3.04Å
247L50.4Low52.4Low156 Ų156108.6 Ų108.682%0.81765%0.65SS**THydrogen-bonded Turntrans-67.2-15170.4-96.369.8000113.1N243N243-L247 WeakPolarHBondContact O-CB 3.5Å; N243-L247 WeakPolarHBondContact O-CD1 3.3Å; N243-L247 PolarHBondContact O-N 3.46Å
248G46.9Very low50.2Low69 Ų69111.7 Ų111.771%0.71166%0.664SS**THydrogen-bonded Turntrans-84.1-7.3169.200000114.8R244 L245 H246R244-G248 PolarHBondContact O-N 3.01Å; L245-G248 PolarHBondContact O-N 3.48Å; H246-G248 PolarHBondContact O-N 3.29Å
249S42.3Very low47.9Very low90 Ų90117 Ų11763%0.62969%0.688SS**SBendtrans-132.693.6-176-163.70000110.2L245 H246 S251L245-S249 PolarHBondContact O-N 3.44Å; H246-S249 CarbonylContact O-C 3.55Å; H246-S249 PolarHBondContact O-N 3.04Å; S249-S251 PolarHBondContact O-N 3.25Å
250G43.1Very low45.8Very low84 Ų84116.5 Ų116.587%0.86671%0.706SS**  trans-60.1133-163.600000115.1
251S32.2Very low43.8Very low124 Ų124120.8 Ų120.887%0.86773%0.726SS**  trans-117.6127.4167.4-170.30000109.5S249S249-S251 PolarHBondContact O-N 3.25Å
252G32.5Very low42Very low69 Ų69120.4 Ų120.471%0.71174%0.743SS**  trans-83.8156.3-173.200000113.9
253V39.1Very low40.2Very low136 Ų136124.7 Ų124.782%0.82476%0.763SS**  trans-67132.2169179.70000109.4S255V253-S255 PolarHBondContact O-N 3Å
254P35.8Very low38.8Very low121 Ų121127.3 Ų127.379%0.78678%0.776SS**  trans-75.1106.8176.729.4-33.8000111.3
255S31.7Very low37.6Very low113 Ų113131.8 Ų131.879%0.7979%0.793SS**PPolyproline II helixtrans-69.1132.6168.8-66.30000111.3V253V253-S255 PolarHBondContact O-N 3Å
256N28.7Very low36.5Very low159 Ų159137.5 Ų137.585%0.8581%0.806SS**PPolyproline II helixtrans-101.5127.3167.5-168.312.9000109.4
257N32.6Very low35.5Very low139 Ų139134.7 Ų134.774%0.74381%0.811SS**PPolyproline II helixtrans-83.1133.7-173.4-74.7-26.2000112.2
258Q33.3Very low34.6Very low189 Ų189134.6 Ų134.688%0.88381%0.812SS**  trans-138.8133.9145.4-72.9-161.454.700111.8
259N33Very low34.1Very low167 Ų167137.4 Ų137.489%0.89382%0.815SS**  trans-43.8153.5-173.2-49.9-20.2000118.3
260G31Very low33.7Very low75 Ų75139.7 Ų139.777%0.77383%0.825SS**  trans-175121.6160.300000111.9
261D31.8Very low33.5Very low175 Ų175141.6 Ų141.694%0.93682%0.82SS**  trans-79.3153.8-173.7-54.4-89000114.2
262G32Very low33.8Very low77 Ų77140.8 Ų140.879%0.79481%0.811SS**  trans-178.1121.4174.700000115.6
263E32Very low34.1Very low180 Ų180143 Ų14384%0.84181%0.813SS**  trans-51.3142.1-172.5-81.7-17871.100119.9
264L34.8Very low34.1Very low144 Ų144141.9 Ų141.975%0.75481%0.809SS**  trans23.4130.4131.1-77.4153.7000120.2
265R35.2Very low34.5Very low252 Ų252141.8 Ų141.895%0.95181%0.808SS**  -166.1-176.5111.7-87.1-95.4162148.71.3109.9
266R36.7Very low34.7Very low242 Ų242141.6 Ų141.691%0.91380%0.804SS**  trans-141.7135.6-155.7179.2-158.3-60.5-116.62.9111.7
267G30.7Very low34.9Very low68 Ų68141.4 Ų141.470%0.70180%0.803SS**  trans163.4127.216400000117.1
268D31.9Very low34.9Very low154 Ų154143.4 Ų143.482%0.82481%0.808SS**  trans48.2100147.3-56.2-13.5000123.4
269T36.4Very low35Very low128 Ų128140.6 Ų140.679%0.78580%0.804SS**  30.5118.5112.1-41.70000120.5
270V33Very low35.1Very low137 Ų137141.4 Ų141.483%0.8380%0.802SS**  -167.1144127135.50000110.5
271T38.2Very low35.3Very low125 Ų125141.6 Ų141.677%0.76780%0.804SS**PPolyproline II helixtrans-87.8132.3-178.8-39.80000112
272P38.5Very low35.2Very low106 Ų106139.8 Ų139.869%0.68879%0.79SS**PPolyproline II helixtrans-77.3154.2168.631.6-34.4000112.8
273P39.7Very low35.2Very low115 Ų115142.3 Ų142.375%0.74779%0.789SS**PPolyproline II helixtrans-78.3165.5-179.433.2-36.7000113.6
274P39.8Very low35.1Very low114 Ų114143.1 Ų143.174%0.7479%0.785SS**PPolyproline II helixtrans-66.3153.9175.428.8-36.3000112.8
275P42.5Very low35Very low118 Ų118141.8 Ų141.877%0.76678%0.777SS**PPolyproline II helixtrans-70143.3-17929.2-35.3000112.3
276P37.6Very low34.7Very low109 Ų109134.5 Ų134.571%0.70877%0.771SS**PPolyproline II helixtrans-74.4143.717431.2-34.3000111.5H278P276-H278 PolarHBondContact O-N 3Å
277N33.2Very low34.3Very low156 Ų156131.7 Ų131.783%0.83477%0.766SS**PPolyproline II helixtrans-66.5124.5173-68.9-49.8000110.5T279N277-T279 PolarHBondContact O-N 3.35Å
278H31.5Very low34.2Very low181 Ų181138.6 Ų138.684%0.83877%0.771SS**  trans-74.788.3171.5-73.1-80.5000110.8P276P276-H278 PolarHBondContact O-N 3Å
279T35.3Very low34.1Very low130 Ų130137.8 Ų137.880%0.79877%0.771SS**  trans-63.4139.6162.337.90000110.5N277N277-T279 PolarHBondContact O-N 3.35Å
280H36.3Very low33.9Very low184 Ų184135.5 Ų135.585%0.85276%0.76SS**  trans-60.8145.7177.9-68.1-104.1000111.4E282H280-E282 PolarHBondContact O-N 3.45Å
281G34Very low33.9Very low79 Ų79135.6 Ų135.681%0.81476%0.756SS**  trans-64.1113-171.400000113.8
282E29.8Very low33.8Very low136 Ų136137 Ų13764%0.63676%0.756SS**  trans-82117174.1-169.2-172.8171.300110.7H280 R284H280-E282 PolarHBondContact O-N 3.45Å; E282-R284 HydrophobicContact CG-CG 4.23Å; E282-R284 IonicContact OE1-CZ 2.62Å; E282-R284 IonicContact OE1-NE 2.66Å; E282-R284 PolarHBondContact OE1-NE 3.34Å; E282-R284 IonicContact OE1-NH2 3.49Å; E282-R284 PolarHBondContact OE1-NH2 2.89Å; E282-R284 IonicContact OE2-CZ 2.62Å; E282-R284 IonicContact OE2-NE 3.32Å; E282-R284 PolarHBondContact OE2-NE 3.17Å; E282-R284 IonicContact OE2-NH2 3.65Å; E282-R284 PolarHBondContact OE2-NH2 2.84Å
283V31.4Very low33.5Very low130 Ų130137.5 Ų137.579%0.78875%0.753SS**  trans-90.1108.6174.7179.70000109.5I285V283-I285 HydrophobicContact CG1-CG1 4.35Å
284R30.9Very low33.4Very low197 Ų197137.9 Ų137.974%0.74376%0.755SS**  trans-99.7120.3174.1-68.5-172.8174.1164.87.6110.9E282E282-R284 HydrophobicContact CG-CG 4.23Å; E282-R284 IonicContact OE1-CZ 2.62Å; E282-R284 IonicContact OE1-NE 2.66Å; E282-R284 PolarHBondContact OE1-NE 3.34Å; E282-R284 IonicContact OE1-NH2 3.49Å; E282-R284 PolarHBondContact OE1-NH2 2.89Å; E282-R284 IonicContact OE2-CZ 2.62Å; E282-R284 IonicContact OE2-NE 3.32Å; E282-R284 PolarHBondContact OE2-NE 3.17Å; E282-R284 IonicContact OE2-NH2 3.65Å; E282-R284 PolarHBondContact OE2-NH2 2.84Å
285I32.5Very low33.3Very low116 Ų116142.9 Ų142.960%0.59576%0.759SS**  trans-101.9126.7175.1-57175000108.2V283 F287V283-I285 HydrophobicContact CG1-CG1 4.35Å; I285-F287 HydrophobicContact CG2-CE1 4.06Å; I285-F287 HydrophobicContact CG2-CE2 3.93Å; I285-F287 HydrophobicContact CG2-CZ 3.68Å
286A28.3Very low32.7Very low100 Ų100142.5 Ų142.583%0.82676%0.759SS**  trans-121.1128.4174.200000109.8
287F27.9Very low32.3Very low183 Ų183146.4 Ų146.480%0.80377%0.768SS**  trans-96.4124179.8-59.6-82.4000110.1I285I285-F287 HydrophobicContact CG2-CE1 4.06Å; I285-F287 HydrophobicContact CG2-CE2 3.93Å; I285-F287 HydrophobicContact CG2-CZ 3.68Å
288R29.2Very low32.2Very low212 Ų212147 Ų14780%0.877%0.771SS**  trans-103124.6166.682.4-177.4-166.4-155.9-1.4109.3
289V30.4Very low32.1Very low138 Ų138146.4 Ų146.484%0.83677%0.768SS**  trans-9891.5173.7-176.30000108.4N291V289-N291 PolarHBondContact O-N 2.83Å; V289-N291 VanDerWaalsContact O-N 3.13Å
290S32.5Very low32.6Very low79 Ų79145.5 Ų145.555%0.55277%0.765SS**  trans-81.187.8176.454.60000110.7M292S290-M292 PolarHBondContact O-N 3.37Å
291N32Very low32.2Very low140 Ų140141.5 Ų141.575%0.74976%0.763SS**  trans-71.5113.9171.5-170.210.9000109.9V289V289-N291 PolarHBondContact O-N 2.83Å; V289-N291 VanDerWaalsContact O-N 3.13Å
292M35.5Very low31.9Very low155 Ų155141.3 Ų141.376%0.76476%0.761SS**  trans-101.686.3179.9-72.8-74.797.500110.1S290 P294S290-M292 PolarHBondContact O-N 3.37Å; M292-P294 WeakPolarHBondContact O-CD 3.1Å
293D33Very low32Very low116 Ų116146.5 Ų146.562%0.6278%0.775SS**  trans-67117179-175.80000111.3R295D293-R295 PolarHBondContact O-N 3.49Å
294P36.8Very low32.1Very low123 Ų123146.2 Ų146.280%0.79978%0.779SS**SBendtrans-78.939.5-17334.3-38000113.8M292M292-P294 WeakPolarHBondContact O-CD 3.1Å
295R38Very low32Very low219 Ų219148.2 Ų148.283%0.82679%0.786SS**  trans-141.349.1-179-65.7-165.6-167.7155.99.9116.3D293D293-R295 PolarHBondContact O-N 3.49Å
296S31.7Very low31.8Very low109 Ų109148.9 Ų148.976%0.76280%0.8SS**  trans-151107.2149.1570000114.1
297Q28.7Very low32Very low191 Ų191151.6 Ų151.689%0.89380%0.798SS**  -171.2156.5111.6-97.8-170.516.600110.2
298L30.7Very low32Very low170 Ų170152.9 Ų152.989%0.8980%0.803SS**  trans-94.3144.4170.8-95.265.7000110.2
299E28.6Very low32.1Very low167 Ų167150.5 Ų150.578%0.7880%0.803SS**  trans-44.9169.4154.3-85.7-77121.700113.9
300P47.3Very low32.1Very low112 Ų112149.5 Ų149.573%0.72780%0.802SS**  cis-137.6168.66.832.8-12.4000117.2
301A27.4Very low31.9Very low99 Ų99152.1 Ų152.182%0.81882%0.819SS**  161.8141.1122.400000112.8
302G26.8Very low31.7Very low76 Ų76149.3 Ų149.378%0.78482%0.823SS**  trans165.1-23.8166.600000120.6
303R31.8Very low31.3Very low245 Ų245146 Ų14693%0.92583%0.828SS**  trans23.7110.9171.8-66.4-178173.9-168.10.8119.3
304S33.5Very low31Very low124 Ų124144.3 Ų144.387%0.86784%0.839SS**  trans-158.2108.4130.559.40000114.7
305R29Very low30.7Very low238 Ų238143.4 Ų143.490%0.89884%0.836SS**  trans-40.7142.3172.2-60.1164.6174.3178.2-3.9116.7
306C29.6Very low30.4Very low130 Ų130140.7 Ų140.788%0.87884%0.837SS**  -138.5153.2123.9-168.60000108.3
307M31.4Very low30.6Very low158 Ų158144.9 Ų144.978%0.77885%0.845SS**  trans-126.7142-179.5-61.8-166.4-5500111.2
308F27.1Very low30.6Very low209 Ų209140.6 Ų140.692%0.91784%0.842SS**  trans-140.5161141.7-140.8-98.8000110.8
309M32.3Very low30.7Very low163 Ų163137.3 Ų137.380%0.80384%0.839SS**  trans-96.1151.8-150.1-69163.953.900115.7
310S30.6Very low31Very low116 Ų116134.1 Ų134.181%0.81184%0.842SS**  trans-84.6142.8171.3-54.80000113.4
311C28.7Very low30.6Very low134 Ų134140.3 Ų140.391%0.90585%0.851SS**  trans-130.6123.6144.9-59.10000104.9
312G27.4Very low31Very low81 Ų81140 Ų14084%0.83585%0.848SS**  cis99.4112.322.700000109.1
313G26.9Very low31.5Very low85 Ų85144.7 Ų144.788%0.87685%0.847SS**  cis179.7163.2-5.400000109.7
314G26.4Very low31.8Very low82 Ų82141.5 Ų141.585%0.84584%0.842SS**  trans163.186.5-179.300000115.5
315S30.1Very low31.9Very low104 Ų104144.6 Ų144.673%0.72784%0.84SS**  trans-48.6135.6179.850.80000117.3
316N32Very low32.2Very low161 Ų161141.1 Ų141.186%0.86184%0.837SS**  -163.1155.9104.7-95.3-25.1000112.3
317Q35.7Very low32.3Very low197 Ų197139.5 Ų139.592%0.92182%0.824SS**  trans-103143.2-162.9-63.3-178.581.800114.1
318A29.6Very low32.3Very low102 Ų102137.8 Ų137.884%0.84383%0.826SS**  trans-144.3112.1153.500000108.5A320A318-A320 PolarHBondContact O-N 3.24Å
319A32.1Very low32.4Very low100 Ų100132.5 Ų132.583%0.82681%0.807SS**PPolyproline II helixtrans-77.8117.7-17700000111R321A319-R321 PolarHBondContact O-N 2.84Å
320A34.3Very low32.2Very low100 Ų100132.4 Ų132.483%0.82681%0.809SS**PPolyproline II helixtrans-66.2123.1166.500000108.9A318 A322A318-A320 PolarHBondContact O-N 3.24Å; A320-A322 PolarHBondContact O-N 2.87Å
321R38.9Very low32.3Very low243 Ų243134.8 Ų134.892%0.91780%0.802SS**PPolyproline II helixtrans-61.9128.8175.9-72.6-174.9171.8111.6-3.5109.4A319 K323A319-R321 PolarHBondContact O-N 2.84Å; R321-K323 PolarHBondContact O-N 3.12Å
322A36.7Very low32.3Very low92 Ų92136.7 Ų136.776%0.7680%0.797SS**PPolyproline II helixtrans-60.7130.7171.600000109.4A320 E324A320-A322 PolarHBondContact O-N 2.87Å; A322-E324 PolarHBondContact O-N 2.99Å
323K36.6Very low32.2Very low175 Ų175140.5 Ų140.576%0.76180%0.798SS**  trans-86.697.6174.4-175.6-179.3-179.5-177.60107.6R321 K325R321-K323 PolarHBondContact O-N 3.12Å; K323-K325 PolarHBondContact O-N 2.69Å
324E39.8Very low32.4Very low178 Ų178141.7 Ų141.783%0.83279%0.787SS**  trans-56.4127.8179.2-71.1172.6-179.300110.5A322A322-E324 PolarHBondContact O-N 2.99Å
325K34.3Very low32.4Very low189 Ų189142.8 Ų142.882%0.82278%0.782SS**  trans-93.3105.5174.2-89.8-167.8169.3-167.60108.6K323K323-K325 PolarHBondContact O-N 2.69Å
326I34.6Very low32.4Very low164 Ų164143.9 Ų143.984%0.84179%0.787SS**  trans-80.8117.9158.3-58175.1000106.7
327T31.8Very low32.4Very low96 Ų96141.8 Ų141.859%0.58979%0.785SS**  trans-104.8120.6172.946.70000109.7D329T327-D329 PolarHBondContact O-N 3.1Å
328C31.8Very low32.5Very low123 Ų123137.7 Ų137.783%0.83178%0.778SS**  trans-95.676179.243.70000111L330C328-L330 PolarHBondContact O-N 2.95Å; C328-L330 VanDerWaalsContact O-N 3.16Å
329D29.5Very low32.8Very low97 Ų97144.5 Ų144.552%0.51978%0.782SS.*  trans-71.2106.4177.2-59.6-6.7000110.2T327 Y331T327-D329 PolarHBondContact O-N 3.1Å; D329-Y331 HydrophobicContact CB-CD2 3.94Å; D329-Y331 HydrophobicContact CB-CE2 3.36Å; D329-Y331 PolarHBondContact O-N 3.28Å; D329-Y331 VanDerWaalsContact O-N 3.12Å
330L28.6Very low32.8Very low161 Ų161146.6 Ų146.684%0.84378%0.779SS**  trans-81.985.9178.1-175.666.3000110.8C328 Q332C328-L330 PolarHBondContact O-N 2.95Å; C328-L330 VanDerWaalsContact O-N 3.16Å; L330-Q332 PolarHBondContact O-N 3.39Å
331Y31.9Very low32.8Very low167 Ų167147.9 Ų147.966%0.65578%0.779SS**  trans-79.7115.7171.3-65.8-76.5000111.1D329 L333D329-Y331 HydrophobicContact CB-CD2 3.94Å; D329-Y331 HydrophobicContact CB-CE2 3.36Å; D329-Y331 PolarHBondContact O-N 3.28Å; D329-Y331 VanDerWaalsContact O-N 3.12Å; Y331-L333 PolarHBondContact O-N 3.49Å; Y331-L333 VanDerWaalsContact O-N 3.15Å
332Q29Very low32.6Very low174 Ų174141.5 Ų141.581%0.81377%0.772SS**  trans-71.9103.4164-176.6175.7-5.800108.8L330 V334L330-Q332 PolarHBondContact O-N 3.39Å; Q332-V334 VanDerWaalsContact C-N 3.27Å; Q332-V334 HydrophobicContact CG-CG2 4.09Å; Q332-V334 PolarHBondContact O-N 3.4Å
333L26Very low32.7Very low161 Ų161142.5 Ų142.584%0.84377%0.773SS**  trans-7184.5170.6-76.8171000109.9Y331 S335Y331-L333 PolarHBondContact O-N 3.49Å; Y331-L333 VanDerWaalsContact O-N 3.15Å; L333-S335 PolarHBondContact O-N 2.71Å
334V30.4Very low32.8Very low109 Ų109142.8 Ų142.866%0.66178%0.782SS**  trans-68.3110.1162.8-177.90000107.3Q332 P336Q332-V334 VanDerWaalsContact C-N 3.27Å; Q332-V334 HydrophobicContact CG-CG2 4.09Å; Q332-V334 PolarHBondContact O-N 3.4Å; V334-P336 WeakPolarHBondContact O-CD 3.24Å
335S27.6Very low32.7Very low105 Ų105142 Ų14273%0.73478%0.783SS**  trans-56.5120.5173.7-62.80000109.9L333 S337L333-S335 PolarHBondContact O-N 2.71Å; S335-S337 PolarHBondContact O-N 2.81Å
336P30Very low32.8Very low127 Ų127141.5 Ų141.583%0.82579%0.788SS**  trans-72101.7-17727.9-33.7000110.5V334V334-P336 WeakPolarHBondContact O-CD 3.24Å
337S31.9Very low32.8Very low118 Ų118138.8 Ų138.883%0.82579%0.79SS**  trans-64.8140.9157.5-166.20000108.7S335 R339S335-S337 PolarHBondContact O-N 2.81Å; S337-R339 PolarHBondContact O-N 3.43Å
338S38Very low32.7Very low111 Ų111138.9 Ų138.978%0.77680%0.801SS**SBendtrans-71.6126.7-156.943.80000115.2
339R35.1Very low32.6Very low245 Ų245139.8 Ų139.893%0.92580%0.803SS**  trans-162.3158.7150.5-111.8165.2-175.9-176.40.5111.8S337S337-R339 PolarHBondContact O-N 3.43Å
340D31.8Very low32.6Very low143 Ų143140.4 Ų140.477%0.76582%0.822SS**  trans-81.9146.6-153.6-53.8-87.2000116.4S342D340-S342 PolarHBondContact O-N 2.88Å
341P33.9Very low32.6Very low128 Ų128138.3 Ų138.383%0.83182%0.82SS**  trans-93.687.3-17536.4-35.1000113.8
342S35Very low32.7Very low109 Ų109136.9 Ų136.976%0.76283%0.829SS**  trans-135.8-5.1176.7-72.70000117D340D340-S342 PolarHBondContact O-N 2.88Å
343S38.8Very low32.8Very low113 Ų113134.5 Ų134.579%0.7983%0.829SS**SBendtrans-110.31.5-163-53.10000116.9
344L39.1Very low32.8Very low180 Ų180136.5 Ų136.594%0.94283%0.831SS**  trans-10951-173.9-66.4179.4000113.7
345L38Very low33.4Very low163 Ų163136.1 Ų136.185%0.85383%0.83SS**SBendtrans-133.718.6-179.8-111.8174.6000115.2
346L37Very low33.5Very low177 Ų177139.7 Ų139.793%0.92784%0.841SS**SBendtrans-138.939.6-172.1-144.480.5000115.4
347A34Very low33.5Very low107 Ų107137.3 Ų137.388%0.88484%0.84SS**SBendtrans-137.618.3-176.900000115.5
348A30.2Very low33.2Very low98 Ų98138.9 Ų138.981%0.8184%0.839SS**SBendtrans-122.821-166.600000116.1
349T29.9Very low32.9Very low142 Ų142140 Ų14087%0.87184%0.835SS**  trans-145.398.1176.351.20000113.5
350A28.9Very low32.6Very low111 Ų111135.3 Ų135.392%0.91782%0.824SS**  trans-157.2130.7157.700000110
351S28.3Very low32.6Very low117 Ų117135.2 Ų135.282%0.81882%0.819SS**  trans-109.8157.8-178.156.10000112.5
352T33.7Very low32.2Very low137 Ų137136.2 Ų136.284%0.8482%0.817SS**  trans-71.6151.1176.748.30000113.5
353P31.6Very low32Very low124 Ų124137.7 Ų137.781%0.80582%0.817SS**  trans-120.5170.1148.135.9-26.4000112.5
354K26.6Very low31.8Very low202 Ų202138 Ų13888%0.87882%0.815SS**  trans-142.1177.5175.3-134-162.3171.5-177.90108.7
355P43.1Very low31.2Very low101 Ų101134.3 Ų134.366%0.65681%0.805SS**  -110.3156.9-11639-25.3000114.8
356D28.7Very low30.6Very low181 Ų181132.5 Ų132.597%0.96881%0.805SS**  trans-173.1157.1141.9-106.9-36.3000110.5
357G29.3Very low30.1Very low77 Ų77127.5 Ų127.579%0.79480%0.796SS**  trans133.4143.417700000114.3
358D26.4Very low29.9Very low150 Ų150129 Ų12980%0.80279%0.794SS**  trans-141.4166.8-162.3-16411.8000113.9
359L30.6Very low30Very low134 Ų134129.8 Ų129.870%0.70279%0.791SS**  trans79.6134.9168.2-99.567.4000122.2
360H29.8Very low29.9Very low148 Ų148130.1 Ų130.169%0.68579%0.787SS**  trans64.699.5156-82.8-83.6000123.3
361Q31Very low30Very low141 Ų141130.3 Ų130.366%0.65978%0.779SS**  49.9110.6104.8-174-177200119.7
362D27.1Very low30.2Very low149 Ų149132 Ų13280%0.79778%0.78SS**  -169.8176.6100-112.9-30.1000112.4
363N29.3Very low30Very low140 Ų140134.2 Ų134.275%0.74978%0.78SS**  trans-130.2132.9-175.7178.110.4000111.1S365N363-S365 PolarHBondContact OD1-N 3.47Å
364P35.9Very low29.8Very low118 Ų118137.7 Ų137.777%0.76679%0.786SS**  -146.6135.2129.235.4-19000116.9
365S26Very low29.7Very low104 Ų104134.8 Ų134.873%0.72778%0.779SS**  50.4113.6129-176.60000122N363N363-S365 PolarHBondContact OD1-N 3.47Å
366C25.7Very low28.9Very low125 Ų125135.3 Ų135.385%0.84579%0.785SS**  trans57.7114.2133.2-157.80000120.4
367G25.9Very low28.7Very low72 Ų72131.9 Ų131.974%0.74277%0.771SS**  trans-160.5126160.800000111.3
368T30.2Very low28.5Very low138 Ų138136.7 Ų136.785%0.84777%0.772SS**PPolyproline II helixtrans-93.5133.9-177.3-45.10000111.4
369P32.1Very low28.5Very low115 Ų115135 Ų13575%0.74777%0.767SS**PPolyproline II helixtrans-95.3146.4166.335-30.7000112.8
370D26.8Very low28.3Very low148 Ų148133.8 Ų133.879%0.79177%0.765SS**PPolyproline II helixtrans-83.4136-177.3-149.1-12.9000111.4N372D370-N372 PolarHBondContact O-N 3.16Å; D370-N372 VanDerWaalsContact O-N 3.1Å
371P31.3Very low28.2Very low115 Ų115132.7 Ų132.775%0.74777%0.769SS**  trans-86.182.5-174.833.8-34.9000112.7
372N32.2Very low27.9Very low154 Ų154132.3 Ų132.382%0.82478%0.776SS**  trans-145.472.8169.5-106.8-44.3000113.1D370D370-N372 PolarHBondContact O-N 3.16Å; D370-N372 VanDerWaalsContact O-N 3.1Å
373Q29.6Very low27.9Very low183 Ų183128.1 Ų128.186%0.85577%0.768SS**  trans-134.2114.1155-81.3-170.35.800110L375Q373-L375 PolarHBondContact O-N 2.82Å; Q373-L375 VanDerWaalsContact O-N 3.11Å
374E28.2Very low27.8Very low196 Ų196126.5 Ų126.592%0.91678%0.775SS**  trans-7591.9177.1-174.6174.6-160.100109.6S376E374-S376 PolarHBondContact O-N 3.45Å; E374-S376 VanDerWaalsContact O-N 3.12Å
375L24.5Very low27.4Very low142 Ų142126.9 Ų126.974%0.74377%0.774SS**  trans-81.892.6-175.5-157.684.2000111.2Q373 T377Q373-L375 PolarHBondContact O-N 2.82Å; Q373-L375 VanDerWaalsContact O-N 3.11Å; L375-T377 HydrophobicContact CD2-CG2 4.24Å; L375-T377 PolarHBondContact O-N 2.62Å
376S26Very low27.5Very low112 Ų112129.7 Ų129.778%0.78378%0.781SS**  trans-67.290.6174.7600000111.5E374 E378E374-S376 PolarHBondContact O-N 3.45Å; E374-S376 VanDerWaalsContact O-N 3.12Å; S376-E378 PolarHBondContact O-N 3.17Å; S376-E378 VanDerWaalsContact O-N 3.13Å
377T25.4Very low27.5Very low108 Ų108130.1 Ų130.166%0.66377%0.771SS**  trans-73.8101.117951.50000111.8L375 V379L375-T377 HydrophobicContact CD2-CG2 4.24Å; L375-T377 PolarHBondContact O-N 2.62Å; T377-V379 PolarHBondContact O-N 2.95Å
378E25.6Very low27.7Very low178 Ų178131.4 Ų131.483%0.83277%0.767SS**  trans-72.6107.9170.2-174.2175.8-164.800110.4S376 V380S376-E378 PolarHBondContact O-N 3.17Å; S376-E378 VanDerWaalsContact O-N 3.13Å; E378-V380 HydrophobicContact CG-CG2 4.49Å
379V26Very low27.5Very low115 Ų115128.6 Ų128.670%0.69775%0.75SS**  trans-100.895.4-177.1-176.30000110.7T377 V381T377-V379 PolarHBondContact O-N 2.95Å; V379-V381 HydrophobicContact CG1-CG2 4.01Å; V379-V381 PolarHBondContact O-N 2.88Å
380V26.4Very low27.3Very low108 Ų108132 Ų13266%0.65575%0.753SS**  trans-78.1106.8174.2-179.40000110.3E378 T382E378-V380 HydrophobicContact CG-CG2 4.49Å; V380-T382 HydrophobicContact CG1-CG2 4.18Å; V380-T382 PolarHBondContact O-N 3.22Å
381V26.2Very low27.3Very low125 Ų125135.1 Ų135.176%0.75876%0.755SS**  trans-91.382.7-179.4-173.40000111.4V379 G383V379-V381 HydrophobicContact CG1-CG2 4.01Å; V379-V381 PolarHBondContact O-N 2.88Å; V381-G383 VanDerWaalsContact C-N 3.34Å; V381-G383 PolarHBondContact O-N 3.45Å; V381-G383 VanDerWaalsContact O-N 3.08Å
382T25.9Very low27.2Very low133 Ų133132.5 Ų132.582%0.81675%0.749SS**  trans-80.278.5168.351.60000111.4V380V380-T382 HydrophobicContact CG1-CG2 4.18Å; V380-T382 PolarHBondContact O-N 3.22Å
383G26.4Very low27.1Very low61 Ų61134.8 Ų134.863%0.62975%0.752SS**  trans-78.9115.3170.900000111.8V381V381-G383 VanDerWaalsContact C-N 3.34Å; V381-G383 PolarHBondContact O-N 3.45Å; V381-G383 VanDerWaalsContact O-N 3.08Å
384A27.7Very low27.3Very low107 Ų107132.9 Ų132.988%0.88475%0.747SS**  trans-75.6123.9173.500000110.8
385V26.9Very low27.6Very low125 Ų125127.8 Ų127.876%0.75873%0.733SS**  trans-92.5122.1176.2-177.40000109.9Q387V385-Q387 PolarHBondContact O-N 3.06Å
386D29Very low28.2Very low163 Ų163127.6 Ų127.687%0.87274%0.738SS**  trans-74.893.1177.9-112.6-23000111.7
387Q26.2Very low28.8Very low135 Ų135129 Ų12963%0.63173%0.732SS**  trans48.973.1151.5-162-178.3-2700117.6V385 V389V385-Q387 PolarHBondContact O-N 3.06Å; Q387-V389 HydrophobicContact CG-CG2 3.83Å; Q387-V389 PolarHBondContact O-N 3.28Å
388C29.4Very low29.5Very low98 Ų98131.7 Ų131.766%0.66274%0.743SS**  trans-71.5119.1157.7-580000110.4F390C388-F390 HydrophobicContact CB-CD2 4.47Å; C388-F390 HydrophobicContact CB-CE2 4.1Å
389V26.5Very low29.7Very low80 Ų80129.4 Ų129.449%0.48574%0.74SS.*  trans-108106.3172.6-174.70000109.6Q387 Y391Q387-V389 HydrophobicContact CG-CG2 3.83Å; Q387-V389 PolarHBondContact O-N 3.28Å; V389-Y391 HydrophobicContact CG1-CD2 3.96Å; V389-Y391 HydrophobicContact CG1-CE2 3.58Å
390F26.6Very low29.8Very low187 Ų187132.5 Ų132.582%0.8275%0.748SS**  trans-88.5119.2169.7-73.1-90.1000109.9C388 G392C388-F390 HydrophobicContact CB-CD2 4.47Å; C388-F390 HydrophobicContact CB-CE2 4.1Å; F390-G392 PolarHBondContact O-N 3.18Å
391Y28.2Very low29.9Very low213 Ų213136.8 Ų136.884%0.83576%0.76SS**  trans-94.178.4164.2-76.7-75.2000109.2V389V389-Y391 HydrophobicContact CG1-CD2 3.96Å; V389-Y391 HydrophobicContact CG1-CE2 3.58Å
392G29.4Very low30Very low59 Ų59138.8 Ų138.861%0.60876%0.761SS**  trans-61.3146.2157.100000109.4F390F390-G392 PolarHBondContact O-N 3.18Å
393K29.9Very low30.1Very low203 Ų203138.9 Ų138.988%0.88376%0.762SS**  trans-103.3111.9170.6-178.5-170.1174.6-165.40107.3S395K393-S395 PolarHBondContact O-N 3.34Å; K393-S395 VanDerWaalsContact O-N 3.17Å
394D33.1Very low29.9Very low143 Ų143139.9 Ų139.977%0.76576%0.756SS**  trans-63.6114.6-175.1-40.9-61.5000110.4
395S33.5Very low29.7Very low89 Ų89140.6 Ų140.662%0.62275%0.753SS**  trans-92.4105.6161.8-158.10000107.6K393 E397K393-S395 PolarHBondContact O-N 3.34Å; K393-S395 VanDerWaalsContact O-N 3.17Å; S395-E397 VanDerWaalsContact C-N 3.25Å; S395-E397 PolarHBondContact O-N 2.58Å; S395-E397 PolarHBondContact OG-OE1 2.9Å
396T39Very low29.6Very low138 Ų138143.7 Ų143.785%0.84776%0.757SS**  trans-82.971.8176.956.40000110
397E37.1Very low29.4Very low141 Ų141140.4 Ų140.466%0.65975%0.752SS**  trans-126.6117166.867.1-157.7126.500110.8S395 V399S395-E397 VanDerWaalsContact C-N 3.25Å; S395-E397 PolarHBondContact O-N 2.58Å; S395-E397 PolarHBondContact OG-OE1 2.9Å; E397-V399 PolarHBondContact O-N 3.35Å
398N39.7Very low29.5Very low164 Ų164142.6 Ų142.688%0.87776%0.764SS**  trans-74.285.6-17339.3-100.1000111.9
399V29.8Very low29.7Very low130 Ų130143.8 Ų143.879%0.78877%0.771SS**  trans-81.5136.5163.3179.50000109.4E397E397-V399 PolarHBondContact O-N 3.35Å
400Q29.7Very low29.9Very low181 Ų181147 Ų14785%0.84679%0.791SS**  trans-78.9134.6-177.8-167.2166.6-1.900110.3E402Q400-E402 PolarHBondContact O-N 3.39Å
401E28Very low30.1Very low197 Ų197142.8 Ų142.892%0.92179%0.791SS**  trans-70.496.7178.9-66.7-175.6138.400110.9
402E27.3Very low30.2Very low167 Ų167136.9 Ų136.978%0.7880%0.795SS**  trans-105.4106.1172.9-163.4171.7-137.400110.8Q400 V404Q400-E402 PolarHBondContact O-N 3.39Å; E402-V404 HydrophobicContact CB-CG2 4.44Å; E402-V404 HydrophobicContact CG-CG2 3.85Å; E402-V404 PolarHBondContact O-N 3.17Å
403T27.9Very low30.1Very low136 Ų136138.1 Ų138.183%0.83481%0.807SS**  trans-76.682.3179.750.40000111.4C405T403-C405 PolarHBondContact O-N 3.22Å
404V23.4Very low30.1Very low82 Ų82132.5 Ų132.550%0.49781%0.807SS.*  trans-90.2103.9178.7-168.80000111.4E402 F406E402-V404 HydrophobicContact CB-CG2 4.44Å; E402-V404 HydrophobicContact CG-CG2 3.85Å; E402-V404 PolarHBondContact O-N 3.17Å; V404-F406 HydrophobicContact CB-CE2 4.16Å; V404-F406 HydrophobicContact CG1-CD2 3.89Å; V404-F406 HydrophobicContact CG1-CE1 4.34Å; V404-F406 HydrophobicContact CG1-CE2 3.35Å; V404-F406 HydrophobicContact CG1-CZ 3.61Å
405C23Very low30Very low121 Ų121129.8 Ų129.882%0.81881%0.813SS**  trans-80.5116.2170.2-60.60000110.6T403T403-C405 PolarHBondContact O-N 3.22Å
406F24.7Very low29.8Very low191 Ų191129.6 Ų129.684%0.83883%0.825SS**  trans-96.4109.9169.9-77-74000111.3V404V404-F406 HydrophobicContact CB-CE2 4.16Å; V404-F406 HydrophobicContact CG1-CD2 3.89Å; V404-F406 HydrophobicContact CG1-CE1 4.34Å; V404-F406 HydrophobicContact CG1-CE2 3.35Å; V404-F406 HydrophobicContact CG1-CZ 3.61Å
407A25.1Very low29.3Very low94 Ų94126.6 Ų126.678%0.77782%0.822SS**  trans-77.8152.3170.800000111.3
408M29.4Very low29.1Very low180 Ų180127.4 Ų127.489%0.88784%0.836SS**  trans-68.3137.1172-78-172.7162.100111.3T410M408-T410 PolarHBondContact O-N 2.89Å
409P32.4Very low28.6Very low124 Ų124122.7 Ų122.781%0.80583%0.826SS**  trans-75111.3173.629.7-32.8000110.9A411P409-A411 PolarHBondContact O-N 3.49Å
410T30.9Very low28.7Very low146 Ų146122.7 Ų122.790%0.89683%0.831SS**  trans-66.1128.1168.3-50.40000110.3M408M408-T410 PolarHBondContact O-N 2.89Å
411A31.5Very low28.8Very low100 Ų100118.6 Ų118.683%0.82682%0.823SS**  trans-119.5132.3178.300000111.8P409P409-A411 PolarHBondContact O-N 3.49Å
412G29.3Very low29.1Very low89 Ų89115.6 Ų115.692%0.91882%0.818SS**  trans137.995.3173.800000113.3
413G28.3Very low29.3Very low84 Ų84115 Ų11587%0.86682%0.82SS**  trans-158.94-172.300000119.1
414G29.4Very low29.9Very low86 Ų86114.3 Ų114.389%0.88782%0.818SS**  trans80.1154.8170.400000116.9
415G30.3Very low30.2Very low85 Ų85115.6 Ų115.688%0.87683%0.831SS**  trans164.9-16.3169.500000122.4
416G29.4Very low30.5Very low86 Ų86114.9 Ų114.989%0.88783%0.827SS**  trans76.9147.1163.100000120.8
417G27.9Very low30.9Very low75 Ų75113.1 Ų113.177%0.77383%0.827SS**  trans123.590.815200000119.1
418V33.5Very low31.3Very low158 Ų158116 Ų11696%0.95883%0.829SS**  trans35.2128.2143.9-172.80000119.5
419G30.3Very low31.9Very low64 Ų64112.3 Ų112.366%0.6682%0.818SS**  cis162.9171.51.500000112.4
420S30.7Very low32.1Very low130 Ų130112 Ų11291%0.90982%0.817SS**  trans67.8144.5-170.6-104.40000115.5
421S31.4Very low32.3Very low96 Ų96111.6 Ų111.667%0.67182%0.816SS**  cis-153.7166.8-060.10000112.8
422T34.4Very low32.6Very low133 Ų133110.5 Ų110.582%0.81681%0.814SS**  trans65.6108.7158.145.10000120.7
423D31.5Very low32.9Very low155 Ų155115.6 Ų115.683%0.82981%0.814SS**  trans-50.4169.8150.6-85.9-63.8000114.8
424P41.1Very low33.2Very low122 Ų122119.4 Ų119.479%0.79281%0.814SS**  cis-143.9-177.332.143.9-24.2000119.3
425S30.5Very low33.4Very low109 Ų109125.1 Ų125.176%0.76282%0.815SS**  trans-84.2148.1179.456.10000116.6
426S29Very low33.5Very low106 Ų106130.5 Ų130.574%0.74181%0.814SS**  trans-169.4116.9141.6-174.10000106.7
427D32.8Very low33.5Very low154 Ų154133.5 Ų133.582%0.82481%0.809SS**  51116.983.5-89.9-61.5000114
428D33.4Very low33.6Very low154 Ų154138 Ų13882%0.82481%0.81SS**  trans-110.2119.2-173.3-177.138000110.5
429P41Very low33.4Very low102 Ų102136 Ų13666%0.66280%0.804SS**PPolyproline II helixtrans-81138-173.831.1-34.1000112.6
430P36.6Very low33.4Very low119 Ų119138.7 Ų138.777%0.77381%0.809SS**PPolyproline II helixtrans-65.1150-17625.9-34.5000113.3G432P430-G432 PolarHBondContact O-N 2.8Å
431P34.9Very low33.3Very low137 Ų137144 Ų14489%0.8981%0.809SS**SBendtrans-76.2120.2-164.529-35.9000113.4
432G38.8Very low33.2Very low76 Ų76142.8 Ų142.878%0.78481%0.813SS**  trans173.245175.900000118.8P430P430-G432 PolarHBondContact O-N 2.8Å
433Q36.3Very low33.2Very low196 Ų196141.6 Ų141.692%0.91681%0.807SS**  trans-141.8143.6168.8-110.8172.711.500114.1
434L34.9Very low33.1Very low165 Ų165142.7 Ų142.786%0.86481%0.807SS**  trans-86.7141.3-177.9-71.3162.6000111.2F436L434-F436 PolarHBondContact O-N 3.22Å
435F32.9Very low32.7Very low206 Ų206145.1 Ų145.190%0.90481%0.813SS**  trans-68.495-177.5-68.8-85.5000113.7
436F31.1Very low32.7Very low197 Ų197147 Ų14786%0.86482%0.815SS**  trans-146117.9152.9-82.5-71.5000110.6L434L434-F436 PolarHBondContact O-N 3.22Å
437L30.1Very low33Very low149 Ų149149.7 Ų149.778%0.7882%0.819SS**  trans170.2109.9147.4-91.6164.6000106.8
438Q31.1Very low32.8Very low169 Ų169148 Ų14879%0.7982%0.815SS**  68.4115108.9-73.6-176.26.900115.7P440Q438-P440 WeakPolarHBondContact O-CD 3.28Å
439S27.6Very low32.5Very low118 Ų118144.7 Ų144.783%0.82581%0.809SS**PPolyproline II helixtrans-75.7122.9175.8-170.60000111.2
440P32.1Very low31.9Very low119 Ų119149.3 Ų149.377%0.77382%0.819SS**PPolyproline II helixtrans-68.6139.5176-19.833.5000112.4Q438Q438-P440 WeakPolarHBondContact O-CD 3.28Å
441R28.2Very low31.5Very low241 Ų241149.9 Ų149.991%0.90982%0.82SS**PPolyproline II helixtrans-80.2142.7163.5-77-178.4164.295.3-4.8109.5
442G29.2Very low31.2Very low72 Ų72149.3 Ų149.374%0.74282%0.819SS**PPolyproline II helixtrans-82141.7168.700000112.2
443P34.2Very low30.7Very low107 Ų107149.2 Ų149.270%0.69582%0.818SS**PPolyproline II helixtrans-86.9171.9160.436.8-33.4000111.1
444E29.7Very low30.3Very low179 Ų179146.2 Ų146.284%0.83682%0.819SS**  cis-164140.3-35.560.6-163.561.300107.5
445D33.3Very low29.9Very low173 Ų173141.7 Ų141.793%0.92581%0.812SS**  trans-140123.2175.7-96.4-53.1000108.6
446D28.4Very low29.8Very low147 Ų147137.3 Ų137.379%0.78681%0.814SS**  trans-111.1108.7-169.8178.720.6000112.6
447I35.4Very low29.6Very low163 Ų163131.4 Ų131.484%0.83681%0.808SS**  trans-136.7106.1160.8-51.7-179.4000110.6
448T28.9Very low29.7Very low119 Ų119132.4 Ų132.473%0.7381%0.811SS**  trans-21.4142.8168.157.20000120.2
449A28.1Very low29.6Very low85 Ų85129.3 Ų129.370%0.70281%0.807SS**  124.198.2128.200000120.3
450K28.2Very low29.4Very low199 Ų199128.9 Ų128.987%0.86580%0.804SS**  trans68.5152.4138.2-65.3-178.3176.3175.50122.1
451T27.6Very low29.4Very low131 Ų131130 Ų13080%0.80480%0.802SS**  trans85.189.3152.15.30000120.8
452S28.7Very low29.4Very low125 Ų125124.4 Ų124.487%0.87479%0.791SS**  54.1128.6120.8-158.90000122
453G27.6Very low29.6Very low74 Ų74126.4 Ų126.476%0.76379%0.792SS**  trans168.3129.6157.300000116.9
454S28.8Very low29.6Very low132 Ų132126.1 Ų126.192%0.92380%0.799SS**  trans-67.1167.2162.4-52.90000111.6
455G26.8Very low29.7Very low70 Ų70124.2 Ų124.272%0.72279%0.794SS**  cis130.3144.20.700000113.3
456A30.6Very low29.8Very low114 Ų114122 Ų12294%0.94278%0.782SS**  trans72.4159.8169.900000120.5
457G27.7Very low30Very low73 Ų73122 Ų12275%0.75378%0.783SS**  trans93.2113.5172.600000114.8
458M31Very low30Very low171 Ų171119.5 Ų119.584%0.84278%0.779SS**  cis92.8115.626.1-67.6-170.464.700118
459C29.2Very low30.7Very low104 Ų104120.1 Ų120.170%0.70379%0.785SS**  trans82.4150.7142.6-65.80000123.3
460S24.7Very low30.6Very low108 Ų108119.8 Ų119.876%0.75579%0.79SS**  trans72.2157.4156-65.10000120.2
461L30.5Very low30.8Very low142 Ų142117.6 Ų117.674%0.74379%0.794SS**  cis-177.3155.3-45.2-108.6169.9000108.4
462D29.4Very low30.8Very low125 Ų125114.5 Ų114.567%0.66879%0.788SS**  trans60.5109.2152.9-66.7-42.1000124.9
463C33Very low31Very low114 Ų114115.5 Ų115.577%0.7779%0.788SS**  65.9112.7112.3-61.10000124.7
464A34.4Very low31.2Very low100 Ų100118 Ų11883%0.82679%0.789SS**  101.5144.7116.600000124.2
465N31.2Very low31.4Very low139 Ų139118.2 Ų118.274%0.74378%0.784SS**  trans108.397.9133.4-157.656.6000122.6
466N36.1Very low31.6Very low126 Ų126118.2 Ų118.267%0.67478%0.784SS**  trans59.7137.4133.7-82.9-48.8000126.4
467N32Very low31.6Very low149 Ų149118.8 Ų118.880%0.79778%0.782SS**  trans87.5129.9137.4-74.9-23.5000124.3
468S34.4Very low32Very low109 Ų109121.3 Ų121.376%0.76278%0.782SS**  trans-73.6-179.5164.8-260000111.9
469P44.4Very low32.1Very low132 Ų132119.9 Ų119.986%0.85777%0.773SS**  cis-144.3-17739.142.1-21.3000117.4
470G26.8Very low32.4Very low78 Ų78125 Ų12580%0.80478%0.778SS**  trans-177.7119.1168.500000114.9
471T32.3Very low32.6Very low154 Ų154124 Ų12495%0.94578%0.776SS**  trans-88.1155.4-177.3-41.90000112.6
472G27.5Very low32.7Very low65 Ų65123.8 Ų123.867%0.6778%0.781SS**  trans-115.3168.6178.200000115.7
473V32.6Very low32.9Very low147 Ų147129 Ų12989%0.89179%0.791SS**  trans-143.4152.9-179.3177.80000110.4
474T31.5Very low33.5Very low126 Ų126128.5 Ų128.577%0.77379%0.787SS**  trans-73.1175.1-176.451.80000113.6
475V33.8Very low33.2Very low136 Ų136131 Ų13182%0.82479%0.786SS**  cis-148.6161.125.1-174.80000107.5
476G29.8Very low33.4Very low70 Ų70129.6 Ų129.672%0.72279%0.787SS**  cis129.2139.93.100000112.1
477S31.1Very low33.9Very low127 Ų127129.9 Ų129.989%0.88880%0.796SS**  trans-155.5174.5176.2-162.20000113.6
478V36.6Very low33.9Very low125 Ų125126.5 Ų126.576%0.75880%0.796SS**  trans-120.9152-161.6177.70000108.8
479E33.3Very low34.1Very low141 Ų141127.9 Ų127.966%0.65980%0.8SS**  cis-159.4171.545.5-153171.3111.900115.3
480R34.4Very low33.8Very low212 Ų212131.2 Ų131.280%0.880%0.795SS**  trans0.9152.6158.1-71.2169-174.6121.2-0.9120.7
481A30Very low34.8Very low87 Ų87135.8 Ų135.872%0.71980%0.796SS**  cis-164.9147.8-1100000108.1
482T32.3Very low35.1Very low138 Ų138133.5 Ų133.585%0.84778%0.777SS**  -175.2168.281.9-57.20000109
483R33.8Very low35.7Very low233 Ų233135 Ų13588%0.87978%0.776SS**  trans-144.2171.4-178.6-99.5-171.8175.1-165.2-1.1110.4
484P44.5Very low36.2Very low105 Ų105133.5 Ų133.568%0.68277%0.773SS**  cis-111-165.2-9.539.9-24.3000110.2
485D28.3Very low36.8Very low151 Ų151131.4 Ų131.481%0.80776%0.757SS**  cis-145-17221.4-115.9-45000112.9
486S35.5Very low37.8Very low110 Ų110129.6 Ų129.677%0.76975%0.748SS**  trans-124-161.3-172.2-54.20000114.2
487P47.1Very low39Very low133 Ų133129.4 Ų129.486%0.86474%0.735SS**  -114.4162-109.836.1-20000115.2
488G31Very low39.7Very low78 Ų78129.3 Ų129.380%0.80472%0.724SS**  trans-144.5110176.600000113.5
489V38.7Very low40.1Very low137 Ų137127.9 Ų127.983%0.8372%0.719SS**  trans-85.1129.4169.61710000109.4
490R38.1Very low40.9Very low202 Ų202131.4 Ų131.476%0.76273%0.726SS**  trans-168.382.6140.5-107.4156.1178.8-70.5-26.3112.6D492R490-D492 IonicContact CZ-OD2 2.7Å; R490-D492 IonicContact NH1-OD2 3.39Å; R490-D492 PolarHBondContact NH1-OD2 2.99Å; R490-D492 IonicContact NH2-OD2 3.46Å; R490-D492 PolarHBondContact NH2-OD2 3.11Å; R490-D492 VanDerWaalsContact NH2-OD2 3.17Å
491E49.2Very low41.2Very low175 Ų175128.2 Ų128.282%0.81872%0.724SS**  trans-57.6128.8131-163.991.8-155.200106.7
492D38.9Very low42Very low105 Ų105133.4 Ų133.456%0.56173%0.727SS**  trans-148.891.4157.7-127.6-17.3000107.6R490 S494R490-D492 IonicContact CZ-OD2 2.7Å; R490-D492 IonicContact NH1-OD2 3.39Å; R490-D492 PolarHBondContact NH1-OD2 2.99Å; R490-D492 IonicContact NH2-OD2 3.46Å; R490-D492 PolarHBondContact NH2-OD2 3.11Å; R490-D492 VanDerWaalsContact NH2-OD2 3.17Å; D492-S494 PolarHBondContact O-N 3.31Å; D492-S494 VanDerWaalsContact O-N 3.12Å
493C38.5Very low42.9Very low96 Ų96137.7 Ų137.765%0.64973%0.727SS**  trans-62.1113.8177.5-174.30000108.3D495C493-D495 PolarHBondContact O-N 2.98Å
494S44.8Very low44Very low116 Ų116134.5 Ų134.581%0.81172%0.722SS**  trans-75.164.5177.1-64.80000110.3D492 P496D492-S494 PolarHBondContact O-N 3.31Å; D492-S494 VanDerWaalsContact O-N 3.12Å; S494-P496 WeakPolarHBondContact O-CD 3.13Å
495D42.5Very low45.1Very low82 Ų82133 Ų13344%0.43971%0.71SS.*  trans-64.7108.9-171.9-167.1-34.2000110.6C493 S497 L498C493-D495 PolarHBondContact O-N 2.98Å; D495-S497 PolarHBondContact O-N 3.38Å; D495-S497 WeakPolarHBondContact OD1-CB 3.32Å; D495-S497 PolarHBondContact OD1-N 3.04Å; D495-S497 VanDerWaalsContact OD1-N 3.11Å; D495-S497 PolarHBondContact OD1-OG 3.4Å; D495-L498 PolarHBondContact O-N 2.86Å
496P55Low47.6Very low99 Ų99128.5 Ų128.564%0.64369%0.691SS**THydrogen-bonded Turntrans-67.5-8.8-172.9-20.134.1000113.5S494S494-P496 WeakPolarHBondContact O-CD 3.13Å
497S55.1Low49.8Very low65 Ų65130 Ų13046%0.45569%0.685SS.*THydrogen-bonded Turntrans-65-36.1177.465.50000113D495 C499 R500D495-S497 PolarHBondContact O-N 3.38Å; D495-S497 WeakPolarHBondContact OD1-CB 3.32Å; D495-S497 PolarHBondContact OD1-N 3.04Å; D495-S497 VanDerWaalsContact OD1-N 3.11Å; D495-S497 PolarHBondContact OD1-OG 3.4Å; S497-C499 PolarHBondContact O-N 3.35Å; S497-R500 PolarHBondContact O-N 3.39Å
498L45.2Very low51.5Low125 Ų125128.5 Ų128.565%0.65467%0.67SS**G310 helixtrans-69.5-33.6-175.5-67.4-179.8000112.7D495 R500 L501D495-L498 PolarHBondContact O-N 2.86Å; L498-R500 PolarHBondContact O-N 3.42Å; L498-L501 WeakPolarHBondContact O-CB 3.42Å; L498-L501 PolarHBondContact O-N 2.98Å
499C45.2Very low54.1Low96 Ų96130 Ų13065%0.64966%0.655SS**G310 helixtrans-63.4-26.5175.1-64.50000112.9S497 L501S497-C499 PolarHBondContact O-N 3.35Å; C499-L501 VanDerWaalsContact C-N 3.3Å
500R50.6Low56.4Low215 Ų215127.8 Ų127.881%0.81164%0.638SS**G310 helixtrans-78.1-12.4175.7-63.5-177.2175.2-174.8-2.1113.4S497 L498S497-R500 PolarHBondContact O-N 3.39Å; L498-R500 PolarHBondContact O-N 3.42Å
501L41.7Very low58.8Low144 Ų144122.1 Ų122.175%0.75462%0.62SS**G310 helixtrans-80.8-17.9177.9-149.472.3000112.7L498 C499 R503L498-L501 WeakPolarHBondContact O-CB 3.42Å; L498-L501 PolarHBondContact O-N 2.98Å; C499-L501 VanDerWaalsContact C-N 3.3Å; L501-R503 PolarHBondContact O-N 3.35Å
502Y45.4Very low60.4Low197 Ų197118.6 Ų118.677%0.77361%0.606SS**SBendtrans-74.4107.6166.6-141.1-89.1000108.7H504Y502-H504 PolarHBondContact O-N 2.84Å; Y502-H504 PolarHBondContact O-ND1 3.41Å
503R52.2Low62.7Low227 Ų227120.2 Ų120.286%0.85760%0.604SS**  trans-54.8104.3-172.9-81.3-174.6162122.7-1.6111.4L501 V505L501-R503 PolarHBondContact O-N 3.35Å; R503-V505 VanDerWaalsContact C-N 3.3Å; R503-V505 PolarHBondContact O-N 3.07Å
504H57.2Low64.8Low166 Ų166120.8 Ų120.877%0.76960%0.596SS**  trans-69.294.5164.6-72.549000107.2Y502 S506Y502-H504 PolarHBondContact O-N 2.84Å; Y502-H504 PolarHBondContact O-ND1 3.41Å; H504-S506 PolarHBondContact O-N 2.96Å
505V66.8Low66.6Low73 Ų73119.4 Ų119.444%0.44258%0.576SS.*  trans-62.9121.1166.9-175.80000106.2R503 F509 L510R503-V505 VanDerWaalsContact C-N 3.3Å; R503-V505 PolarHBondContact O-N 3.07Å; V505-F509 HydrophobicContact CG1-CB 3.89Å; V505-F509 HydrophobicContact CG1-CD1 3.16Å; V505-F509 HydrophobicContact CG1-CE1 3.88Å; V505-F509 HydrophobicContact CG1-CG 3.76Å; V505-L510 HydrophobicContact CB-CD2 4.4Å; V505-L510 HydrophobicContact CB-CG 4.43Å; V505-L510 HydrophobicContact CG1-CD2 3.75Å; V505-L510 HydrophobicContact CG1-CG 3.85Å
506S81.4Confident68.5Low57 Ų57119.5 Ų119.540%0.39958%0.576SS.*  trans-61150.5-176.267.70000110.7H504 D508 F509 L510H504-S506 PolarHBondContact O-N 2.96Å; S506-D508 PolarHBondContact O-N 3.3Å; S506-D508 PolarHBondContact OG-OD2 2.84Å; S506-F509 PolarHBondContact O-N 3.45Å; S506-F509 PolarHBondContact OG-N 3.43Å; S506-F509 VanDerWaalsContact OG-N 3.1Å; S506-L510 PolarHBondContact O-N 3.49Å
507H81.3Confident69.6Low141 Ų141119.8 Ų119.865%0.65357%0.569SS**Hα-helixtrans-54.1-42.8174.5-178.747.5000110F509 L510 E511H507-F509 PolarHBondContact O-N 3Å; H507-L510 CarbonylContact O-C 3.2Å; H507-L510 WeakPolarHBondContact O-CB 3.38Å; H507-L510 PolarHBondContact O-N 2.87Å; H507-L510 VanDerWaalsContact O-N 3.09Å; H507-E511 WeakPolarHBondContact O-CB 3.2Å; H507-E511 PolarHBondContact O-N 3.01Å
508D82.3Confident70.4Confident102 Ų102122.2 Ų122.255%0.54557%0.568SS.*Hα-helixtrans-59.2-39.3175.2-17.7-57.3000112.9S506 E511 I512S506-D508 PolarHBondContact O-N 3.3Å; S506-D508 PolarHBondContact OG-OD2 2.84Å; D508-E511 PolarHBondContact O-N 3.43Å; D508-I512 WeakPolarHBondContact O-CB 3.45Å; D508-I512 WeakPolarHBondContact O-CD1 3.39Å; D508-I512 WeakPolarHBondContact O-CG1 3.29Å; D508-I512 PolarHBondContact O-N 3.3Å
509F86.9Confident71.5Confident110 Ų110121.3 Ų121.348%0.48256%0.564SS.*Hα-helixtrans-67.4-39.4174.6178.9-78.7000111.4V505 S506 H507 R513V505-F509 HydrophobicContact CG1-CB 3.89Å; V505-F509 HydrophobicContact CG1-CD1 3.16Å; V505-F509 HydrophobicContact CG1-CE1 3.88Å; V505-F509 HydrophobicContact CG1-CG 3.76Å; S506-F509 PolarHBondContact O-N 3.45Å; S506-F509 PolarHBondContact OG-N 3.43Å; S506-F509 VanDerWaalsContact OG-N 3.1Å; H507-F509 PolarHBondContact O-N 3Å; F509-R513 WeakPolarHBondContact O-CB 3.34Å; F509-R513 PolarHBondContact O-N 3.29Å
510L86.6Confident72.6Confident90 Ų90123.2 Ų123.247%0.47157%0.566SS.*Hα-helixtrans-66.9-39.4176-66.1177.1000111.3V505 S506 H507 R513 F514V505-L510 HydrophobicContact CB-CD2 4.4Å; V505-L510 HydrophobicContact CB-CG 4.43Å; V505-L510 HydrophobicContact CG1-CD2 3.75Å; V505-L510 HydrophobicContact CG1-CG 3.85Å; S506-L510 PolarHBondContact O-N 3.49Å; H507-L510 CarbonylContact O-C 3.2Å; H507-L510 WeakPolarHBondContact O-CB 3.38Å; H507-L510 PolarHBondContact O-N 2.87Å; H507-L510 VanDerWaalsContact O-N 3.09Å; L510-R513 PolarHBondContact O-N 3.33Å; L510-F514 VanDerWaalsContact O-CB 3.26Å; L510-F514 WeakPolarHBondContact O-CB 3.22Å; L510-F514 PolarHBondContact O-N 3.11Å
511E87.4Confident73.5Confident83 Ų83118.6 Ų118.639%0.38855%0.554SS.*Hα-helixtrans-70.5-46177.5-172.454.7-14300111.6H507 D508 R513 F514 Q515H507-E511 WeakPolarHBondContact O-CB 3.2Å; H507-E511 PolarHBondContact O-N 3.01Å; D508-E511 PolarHBondContact O-N 3.43Å; E511-R513 VanDerWaalsContact C-N 3.28Å; E511-R513 PolarHBondContact O-N 2.74Å; E511-F514 PolarHBondContact O-N 3.34Å; E511-F514 VanDerWaalsContact O-N 3.15Å; E511-Q515 VanDerWaalsContact O-CB 3.28Å; E511-Q515 WeakPolarHBondContact O-CB 3.49Å; E511-Q515 PolarHBondContact O-N 2.89Å
512I84.3Confident74.4Confident102 Ų102117.1 Ų117.152%0.52355%0.553SS.*Hα-helixtrans-58-43.4172.1-72164.9000110.1D508 I516D508-I512 WeakPolarHBondContact O-CB 3.45Å; D508-I512 WeakPolarHBondContact O-CD1 3.39Å; D508-I512 WeakPolarHBondContact O-CG1 3.29Å; D508-I512 PolarHBondContact O-N 3.3Å; I512-I516 HydrophobicContact CG2-CD1 3.71Å; I512-I516 HydrophobicContact CG2-CG1 4.47Å; I512-I516 VanDerWaalsContact O-CB 3.31Å; I512-I516 WeakPolarHBondContact O-CB 3.35Å; I512-I516 WeakPolarHBondContact O-CD1 3.44Å; I512-I516 WeakPolarHBondContact O-CG1 3.32Å; I512-I516 PolarHBondContact O-N 3.09Å
513R85.4Confident75.2Confident139 Ų139113.1 Ų113.153%0.52554%0.537SS..Hα-helixtrans-63.4-43.8175.4179.5-177.6176.9127.41.3111.7F509 L510 E511 I516 Q517F509-R513 WeakPolarHBondContact O-CB 3.34Å; F509-R513 PolarHBondContact O-N 3.29Å; L510-R513 PolarHBondContact O-N 3.33Å; E511-R513 VanDerWaalsContact C-N 3.28Å; E511-R513 PolarHBondContact O-N 2.74Å; R513-I516 PolarHBondContact O-N 3.16Å; R513-Q517 VanDerWaalsContact NE-OE1 3.13Å; R513-Q517 WeakPolarHBondContact O-CB 3.47Å; R513-Q517 VanDerWaalsContact O-CG 3.29Å; R513-Q517 WeakPolarHBondContact O-CG 3.15Å; R513-Q517 PolarHBondContact O-N 2.89Å
514F84.1Confident76.1Confident108 Ų108108.6 Ų108.647%0.47453%0.525SS..Hα-helixtrans-64.9-45178.3178.9-118.9000111.4L510 E511 Q517 R518L510-F514 VanDerWaalsContact O-CB 3.26Å; L510-F514 WeakPolarHBondContact O-CB 3.22Å; L510-F514 PolarHBondContact O-N 3.11Å; E511-F514 PolarHBondContact O-N 3.34Å; E511-F514 VanDerWaalsContact O-N 3.15Å; F514-Q517 CarbonylContact O-C 3.59Å; F514-Q517 PolarHBondContact O-N 3.08Å; F514-Q517 VanDerWaalsContact O-N 3.14Å; F514-R518 HydrophobicContact CE2-CG 4.25Å; F514-R518 HydrophobicContact CZ-CG 4.27Å; F514-R518 WeakPolarHBondContact O-CG 3.28Å; F514-R518 PolarHBondContact O-N 3.48Å
515Q82.8Confident76.6Confident86 Ų86107.2 Ų107.240%0.40251%0.514SS..Hα-helixtrans-62.5-43.4175.7-163.877.7-62.600111.5E511 R518 L519E511-Q515 VanDerWaalsContact O-CB 3.28Å; E511-Q515 WeakPolarHBondContact O-CB 3.49Å; E511-Q515 PolarHBondContact O-N 2.89Å; Q515-R518 PolarHBondContact O-N 2.98Å; Q515-L519 HydrophobicContact CG-CD1 4.4Å; Q515-L519 WeakPolarHBondContact O-CB 3.35Å; Q515-L519 VanDerWaalsContact O-CG 3.28Å; Q515-L519 WeakPolarHBondContact O-CG 3.45Å; Q515-L519 PolarHBondContact O-N 3.42Å
516I81.8Confident76.7Confident84 Ų84106.5 Ų106.543%0.43151%0.507SS..Hα-helixtrans-61.7-43.2171.6-72.4168.3000110.7I512 R513 R518 L519 L520I512-I516 HydrophobicContact CG2-CD1 3.71Å; I512-I516 HydrophobicContact CG2-CG1 4.47Å; I512-I516 VanDerWaalsContact O-CB 3.31Å; I512-I516 WeakPolarHBondContact O-CB 3.35Å; I512-I516 WeakPolarHBondContact O-CD1 3.44Å; I512-I516 WeakPolarHBondContact O-CG1 3.32Å; I512-I516 PolarHBondContact O-N 3.09Å; R513-I516 PolarHBondContact O-N 3.16Å; I516-R518 VanDerWaalsContact C-N 3.34Å; I516-R518 PolarHBondContact O-N 3.35Å; I516-L519 PolarHBondContact O-N 2.86Å; I516-L519 VanDerWaalsContact O-N 3.16Å; I516-L520 HydrophobicContact CG2-CD1 3.67Å; I516-L520 HydrophobicContact CG2-CG 4.24Å; I516-L520 WeakPolarHBondContact O-CB 3.47Å; I516-L520 WeakPolarHBondContact O-CG 3.34Å; I516-L520 PolarHBondContact O-N 2.85Å
517Q77.5Confident76.2Confident105 Ų105107.7 Ų107.749%0.49151%0.508SS..Hα-helixtrans-62.4-39.3175.8-76.3-176.2-111.900111.7R513 F514 L519 L520 E521R513-Q517 VanDerWaalsContact NE-OE1 3.13Å; R513-Q517 WeakPolarHBondContact O-CB 3.47Å; R513-Q517 VanDerWaalsContact O-CG 3.29Å; R513-Q517 WeakPolarHBondContact O-CG 3.15Å; R513-Q517 PolarHBondContact O-N 2.89Å; F514-Q517 CarbonylContact O-C 3.59Å; F514-Q517 PolarHBondContact O-N 3.08Å; F514-Q517 VanDerWaalsContact O-N 3.14Å; Q517-L519 VanDerWaalsContact C-N 3.32Å; Q517-L519 PolarHBondContact O-N 3.09Å; Q517-L520 PolarHBondContact O-N 3.4Å; Q517-E521 WeakPolarHBondContact O-CB 3.5Å; Q517-E521 PolarHBondContact O-N 3.39Å
518R72.6Confident76.2Confident116 Ų116107.8 Ų107.844%0.43851%0.513SS..Hα-helixtrans-72.3-19.3174.1-70.2-176.971.7-150.86.3114.3F514 Q515 I516 R523F514-R518 HydrophobicContact CE2-CG 4.25Å; F514-R518 HydrophobicContact CZ-CG 4.27Å; F514-R518 WeakPolarHBondContact O-CG 3.28Å; F514-R518 PolarHBondContact O-N 3.48Å; Q515-R518 PolarHBondContact O-N 2.98Å; I516-R518 VanDerWaalsContact C-N 3.34Å; I516-R518 PolarHBondContact O-N 3.35Å; R518-R523 VanDerWaalsContact O-CZ 3.29Å; R518-R523 PolarHBondContact O-NE 3.48Å; R518-R523 PolarHBondContact O-NH2 2.94Å
519L69.1Low76.3Confident107 Ų107105.7 Ų105.756%0.5650%0.501SS*.Hα-helixtrans-85.3-34.8172.7-74.3164.1000111.8Q515 I516 Q517Q515-L519 HydrophobicContact CG-CD1 4.4Å; Q515-L519 WeakPolarHBondContact O-CB 3.35Å; Q515-L519 VanDerWaalsContact O-CG 3.28Å; Q515-L519 WeakPolarHBondContact O-CG 3.45Å; Q515-L519 PolarHBondContact O-N 3.42Å; I516-L519 PolarHBondContact O-N 2.86Å; I516-L519 VanDerWaalsContact O-N 3.16Å; Q517-L519 VanDerWaalsContact C-N 3.32Å; Q517-L519 PolarHBondContact O-N 3.09Å
520L67.8Low76.3Confident135 Ų135103.6 Ų103.671%0.70750%0.499SS*.Hα-helixtrans-85.8-13.8175.7-64.9176.3000113.6I516 Q517I516-L520 HydrophobicContact CG2-CD1 3.67Å; I516-L520 HydrophobicContact CG2-CG 4.24Å; I516-L520 WeakPolarHBondContact O-CB 3.47Å; I516-L520 WeakPolarHBondContact O-CG 3.34Å; I516-L520 PolarHBondContact O-N 2.85Å; Q517-L520 PolarHBondContact O-N 3.4Å
521E70.1Confident76.3Confident119 Ų119101.8 Ų101.856%0.55649%0.49SS*.SBendtrans-55.5131.5172.6-175.6166-150.900109.9Q517 R523Q517-E521 WeakPolarHBondContact O-CB 3.5Å; Q517-E521 PolarHBondContact O-N 3.39Å; E521-R523 VanDerWaalsContact C-N 3.28Å; E521-R523 PolarHBondContact O-N 2.83Å
522P59.8Low76.3Confident113 Ų113103.7 Ų103.773%0.73450%0.498SS*.  trans-65.680.1-176.6-25.136.4000113.7Q524P522-Q524 VanDerWaalsContact O-CG 3.28Å; P522-Q524 WeakPolarHBondContact O-CG 3.22Å; P522-Q524 PolarHBondContact O-N 3.08Å
523R62.7Low76.6Confident112 Ų112101.7 Ų101.742%0.42349%0.488SS..  trans-60.9103.8-179.1-73.4158.3177-138.76.1110.7R518 E521 Y525R518-R523 VanDerWaalsContact O-CZ 3.29Å; R518-R523 PolarHBondContact O-NE 3.48Å; R518-R523 PolarHBondContact O-NH2 2.94Å; E521-R523 VanDerWaalsContact C-N 3.28Å; E521-R523 PolarHBondContact O-N 2.83Å; R523-Y525 HydrophobicContact CB-CD1 4.48Å; R523-Y525 HydrophobicContact CB-CD2 3.86Å; R523-Y525 HydrophobicContact CB-CE1 4.22Å; R523-Y525 HydrophobicContact CB-CE2 3.57Å; R523-Y525 HydrophobicContact CB-CG 4.31Å; R523-Y525 WeakPolarHBondContact CD-OH 3.49Å; R523-Y525 HydrophobicContact CG-CE2 4.01Å; R523-Y525 PolarHBondContact NH1-OH 3.48Å; R523-Y525 VanDerWaalsContact NH1-OH 3.12Å; R523-Y525 PolarHBondContact O-N 2.62Å
524Q70.1Confident76.7Confident132 Ų13295.1 Ų95.162%0.61746%0.463SS*.  trans-75.733.2-174.3-54.9-173.70.700113.4P522 M526 L527P522-Q524 VanDerWaalsContact O-CG 3.28Å; P522-Q524 WeakPolarHBondContact O-CG 3.22Å; P522-Q524 PolarHBondContact O-N 3.08Å; Q524-M526 PolarHBondContact O-N 3.2Å; Q524-M526 VanDerWaalsContact O-N 3.12Å; Q524-L527 HydrophobicContact CB-CB 4.42Å; Q524-L527 HydrophobicContact CB-CD1 4.19Å; Q524-L527 HydrophobicContact CB-CG 4.31Å; Q524-L527 WeakPolarHBondContact O-CB 3.46Å; Q524-L527 PolarHBondContact O-N 3.46Å
525Y69.1Low76.9Confident137 Ų13791.4 Ų91.454%0.53745%0.449SS..Hα-helixtrans-54.9-35.2-177.2-57.8-43000112.5R523 L527 L528 L529R523-Y525 HydrophobicContact CB-CD1 4.48Å; R523-Y525 HydrophobicContact CB-CD2 3.86Å; R523-Y525 HydrophobicContact CB-CE1 4.22Å; R523-Y525 HydrophobicContact CB-CE2 3.57Å; R523-Y525 HydrophobicContact CB-CG 4.31Å; R523-Y525 WeakPolarHBondContact CD-OH 3.49Å; R523-Y525 HydrophobicContact CG-CE2 4.01Å; R523-Y525 PolarHBondContact NH1-OH 3.48Å; R523-Y525 VanDerWaalsContact NH1-OH 3.12Å; R523-Y525 PolarHBondContact O-N 2.62Å; Y525-L527 PolarHBondContact O-N 2.87Å; Y525-L528 PolarHBondContact O-N 2.82Å; Y525-L529 PolarHBondContact O-N 3.29Å
526M68.8Low77.1Confident58 Ų5891.6 Ų91.629%0.28645%0.453SS..Hα-helixtrans-63.1-18.7174.3-72.9-129.868.400114.9Q524 L529 M534 F538 F556Q524-M526 PolarHBondContact O-N 3.2Å; Q524-M526 VanDerWaalsContact O-N 3.12Å; M526-L529 HydrophobicContact CE-CD1 4.31Å; M526-M534 HydrophobicContact CE-CG 3.71Å; M526-M534 HydrophobicContact CE-SD 3.9Å; M526-F538 HydrophobicContact CE-CE1 3.68Å; M526-F538 HydrophobicContact CE-CZ 3.75Å; M526-F538 HydrophobicContact SD-CE1 4.36Å; M526-F556 HydrophobicContact CB-CE1 4.02Å; M526-F556 HydrophobicContact CB-CZ 3.76Å; M526-F556 HydrophobicContact CE-CE1 4.3Å; M526-F556 HydrophobicContact CG-CZ 4.39Å; M526-F556 HydrophobicContact SD-CE1 4.25Å; M526-F556 HydrophobicContact SD-CZ 4.02Å
527L70.9Confident77.5Confident83 Ų8391 Ų9144%0.43545%0.45SS..Hα-helixtrans-91.9-8.2173.8-55-174.1000112.7Q524 Y525 Y555 F556Q524-L527 HydrophobicContact CB-CB 4.42Å; Q524-L527 HydrophobicContact CB-CD1 4.19Å; Q524-L527 HydrophobicContact CB-CG 4.31Å; Q524-L527 WeakPolarHBondContact O-CB 3.46Å; Q524-L527 PolarHBondContact O-N 3.46Å; Y525-L527 PolarHBondContact O-N 2.87Å; L527-Y555 HydrophobicContact CD2-CD1 3.4Å; L527-Y555 VanDerWaalsContact CD2-CD1 3.4Å; L527-Y555 HydrophobicContact CD2-CE1 3.68Å; L527-Y555 HydrophobicContact CD2-CG 4.48Å; L527-F556 HydrophobicContact CD2-CE1 4.49Å
528L80.4Confident78Confident142 Ų14286 Ų8674%0.74343%0.427SS*.Hα-helixtrans-100.1-10.4177-60.5173.6000112.5Y525Y525-L528 PolarHBondContact O-N 2.82Å
529L83.4Confident78.6Confident59 Ų5982.7 Ų82.731%0.30942%0.421SS..SBendtrans-76.6137.7174.6-69.5176.3000110.5Y525 M526 I533 M534 I537Y525-L529 PolarHBondContact O-N 3.29Å; M526-L529 HydrophobicContact CE-CD1 4.31Å; L529-I533 HydrophobicContact CD1-CG2 4.47Å; L529-I533 HydrophobicContact CD2-CG2 4.15Å; L529-M534 HydrophobicContact CB-CG 4.05Å; L529-M534 HydrophobicContact CD1-CG 4.34Å; L529-M534 VanDerWaalsContact O-CE 3.29Å; L529-M534 WeakPolarHBondContact O-CE 3.37Å; L529-I537 HydrophobicContact CD1-CD1 3.81Å
530P88.4Confident79.5Confident65 Ų6586 Ų8642%0.42243%0.427SS..  trans-60.3145.5169.4-24.434.6000112.3H532 I533 M534P530-H532 PolarHBondContact O-N 2.91Å; P530-H532 VanDerWaalsContact O-N 3.1Å; P530-I533 HydrophobicContact CB-CG1 4.34Å; P530-I533 HydrophobicContact CG-CG1 4.37Å; P530-I533 WeakPolarHBondContact O-CB 3.49Å; P530-I533 PolarHBondContact O-N 3.18Å; P530-M534 PolarHBondContact O-N 3.04Å; P530-M534 VanDerWaalsContact O-N 3.14Å
531D85.9Confident80.2Confident53 Ų5381.7 Ų81.728%0.28341%0.405SS..Hα-helixtrans-50-40.1-179.2-78.813.4000113.1I533 M534 V535 Y555 L559 Y563D531-I533 VanDerWaalsContact C-N 3.35Å; D531-I533 PolarHBondContact O-N 3.43Å; D531-M534 PolarHBondContact O-N 3.5Å; D531-V535 WeakPolarHBondContact O-CB 3.45Å; D531-V535 VanDerWaalsContact O-CG2 3.31Å; D531-V535 WeakPolarHBondContact O-CG2 3.13Å; D531-V535 PolarHBondContact O-N 2.87Å; D531-Y555 PolarHBondContact OD1-OH 3.46Å; D531-L559 HydrophobicContact CB-CD2 4.2Å; D531-L559 VanDerWaalsContact CG-CD2 3.4Å; D531-L559 VanDerWaalsContact OD2-CD2 3.31Å; D531-L559 WeakPolarHBondContact OD2-CD2 3.22Å; D531-Y563 HydrophobicContact CB-CE2 3.96Å; D531-Y563 PolarHBondContact OD2-OH 2.89Å
532H87.2Confident80.2Confident122 Ų12278.3 Ų78.357%0.56539%0.393SS*.Hα-helixtrans-65.7-33.5178.969.7-96.3000113.4P530 N536P530-H532 PolarHBondContact O-N 2.91Å; P530-H532 VanDerWaalsContact O-N 3.1Å; H532-N536 PolarHBondContact O-N 3.09Å; H532-N536 VanDerWaalsContact O-N 3.12Å
533I89.9Confident80.6Confident61 Ų6175.2 Ų75.231%0.31337%0.372SS..Hα-helixtrans-70.7-42.1174.2-58.6-60.9000109.9L529 P530 D531 N536 I537L529-I533 HydrophobicContact CD1-CG2 4.47Å; L529-I533 HydrophobicContact CD2-CG2 4.15Å; P530-I533 HydrophobicContact CB-CG1 4.34Å; P530-I533 HydrophobicContact CG-CG1 4.37Å; P530-I533 WeakPolarHBondContact O-CB 3.49Å; P530-I533 PolarHBondContact O-N 3.18Å; D531-I533 VanDerWaalsContact C-N 3.35Å; D531-I533 PolarHBondContact O-N 3.43Å; I533-N536 PolarHBondContact O-N 3.33Å; I533-I537 HydrophobicContact CG2-CD1 3.81Å; I533-I537 HydrophobicContact CG2-CG1 4.43Å; I533-I537 VanDerWaalsContact O-CG1 3.29Å; I533-I537 WeakPolarHBondContact O-CG1 3.45Å; I533-I537 PolarHBondContact O-N 3.05Å
534M88.3Confident80.9Confident0 Ų079.9 Ų79.90%039%0.39CS..Hα-helixtrans-63.6-41174.5-85.1-170.1-75.700113M526 L529 P530 D531 N536 I537 F538 Y555 F556 L559M526-M534 HydrophobicContact CE-CG 3.71Å; M526-M534 HydrophobicContact CE-SD 3.9Å; L529-M534 HydrophobicContact CB-CG 4.05Å; L529-M534 HydrophobicContact CD1-CG 4.34Å; L529-M534 VanDerWaalsContact O-CE 3.29Å; L529-M534 WeakPolarHBondContact O-CE 3.37Å; P530-M534 PolarHBondContact O-N 3.04Å; P530-M534 VanDerWaalsContact O-N 3.14Å; D531-M534 PolarHBondContact O-N 3.5Å; M534-N536 VanDerWaalsContact C-N 3.34Å; M534-N536 PolarHBondContact O-N 3.22Å; M534-I537 PolarHBondContact O-N 2.95Å; M534-F538 HydrophobicContact CB-CD2 4.41Å; M534-F538 HydrophobicContact CB-CE2 4.07Å; M534-F538 HydrophobicContact CB-CZ 4.41Å; M534-F538 HydrophobicContact CG-CE2 4.48Å; M534-F538 HydrophobicContact CG-CZ 4.39Å; M534-F538 VanDerWaalsContact O-CB 3.24Å; M534-F538 WeakPolarHBondContact O-CB 3.46Å; M534-F538 VanDerWaalsContact O-CD2 3.3Å; M534-F538 WeakPolarHBondContact O-CD2 3.43Å; M534-F538 WeakPolarHBondContact O-CG 3.24Å; M534-F538 PolarHBondContact O-N 3.01Å; M534-F538 HydrophobicContact SD-CE2 4.41Å; M534-F538 HydrophobicContact SD-CZ 4.28Å; M534-Y555 HydrophobicContact CE-CE1 3.73Å; M534-Y555 WeakPolarHBondContact CE-OH 3.32Å; M534-Y555 HydrophobicContact SD-CE1 4.22Å; M534-F556 HydrophobicContact SD-CD1 4.36Å; M534-F556 HydrophobicContact SD-CE1 4.06Å; M534-L559 HydrophobicContact CB-CD1 4.45Å; M534-L559 HydrophobicContact CE-CD1 3.6Å; M534-L559 HydrophobicContact SD-CD1 3.61Å
535V87.9Confident81.2Confident31 Ų3175.7 Ų75.719%0.18838%0.375CS..Hα-helixtrans-59.1-46.21751650000110.8D531 F538 S539 Y563 V565D531-V535 WeakPolarHBondContact O-CB 3.45Å; D531-V535 VanDerWaalsContact O-CG2 3.31Å; D531-V535 WeakPolarHBondContact O-CG2 3.13Å; D531-V535 PolarHBondContact O-N 2.87Å; V535-F538 PolarHBondContact O-N 3.35Å; V535-S539 PolarHBondContact O-N 2.92Å; V535-Y563 HydrophobicContact CG2-CD1 4.16Å; V535-Y563 HydrophobicContact CG2-CD2 3.48Å; V535-Y563 VanDerWaalsContact CG2-CD2 3.48Å; V535-Y563 HydrophobicContact CG2-CE2 4.19Å; V535-Y563 HydrophobicContact CG2-CG 3.47Å; V535-Y563 VanDerWaalsContact CG2-CG 3.47Å; V535-V565 HydrophobicContact CB-CG2 4.43Å; V535-V565 HydrophobicContact CG1-CG2 4.15Å; V535-V565 HydrophobicContact CG2-CG2 4.12Å
536N88.4Confident81.5Confident90 Ų9069.4 Ų69.448%0.48135%0.351SS..Hα-helixtrans-61.3-52.5175.5-72-6.4000111.2H532 I533 M534 F538 S539 Y540H532-N536 PolarHBondContact O-N 3.09Å; H532-N536 VanDerWaalsContact O-N 3.12Å; I533-N536 PolarHBondContact O-N 3.33Å; M534-N536 VanDerWaalsContact C-N 3.34Å; M534-N536 PolarHBondContact O-N 3.22Å; N536-F538 VanDerWaalsContact C-N 3.28Å; N536-F538 PolarHBondContact O-N 2.77Å; N536-S539 PolarHBondContact O-N 2.6Å; N536-S539 VanDerWaalsContact O-N 3.1Å; N536-S539 PolarHBondContact O-OG 3.29Å; N536-Y540 WeakPolarHBondContact O-CD2 3.38Å
537I89.4Confident81.5Confident70 Ų7068.7 Ų68.736%0.35935%0.354SS..Hα-helixtrans-53.6-45.9177.1-70166.4000111.1L529 I533 M534 S539 Y540L529-I537 HydrophobicContact CD1-CD1 3.81Å; I533-I537 HydrophobicContact CG2-CD1 3.81Å; I533-I537 HydrophobicContact CG2-CG1 4.43Å; I533-I537 VanDerWaalsContact O-CG1 3.29Å; I533-I537 WeakPolarHBondContact O-CG1 3.45Å; I533-I537 PolarHBondContact O-N 3.05Å; M534-I537 PolarHBondContact O-N 2.95Å; I537-S539 PolarHBondContact O-N 2.85Å; I537-Y540 PolarHBondContact O-N 3.12Å
538F87.7Confident81.5Confident1 Ų167.2 Ų67.20%0.00435%0.354CS..Hα-helixtrans-68.8-30.6-178.9-67.3-17.7000113M526 M534 V535 N536 Y540 L541 L546 L549 F556 L559 I560 V565M526-F538 HydrophobicContact CE-CE1 3.68Å; M526-F538 HydrophobicContact CE-CZ 3.75Å; M526-F538 HydrophobicContact SD-CE1 4.36Å; M534-F538 HydrophobicContact CB-CD2 4.41Å; M534-F538 HydrophobicContact CB-CE2 4.07Å; M534-F538 HydrophobicContact CB-CZ 4.41Å; M534-F538 HydrophobicContact CG-CE2 4.48Å; M534-F538 HydrophobicContact CG-CZ 4.39Å; M534-F538 VanDerWaalsContact O-CB 3.24Å; M534-F538 WeakPolarHBondContact O-CB 3.46Å; M534-F538 VanDerWaalsContact O-CD2 3.3Å; M534-F538 WeakPolarHBondContact O-CD2 3.43Å; M534-F538 WeakPolarHBondContact O-CG 3.24Å; M534-F538 PolarHBondContact O-N 3.01Å; M534-F538 HydrophobicContact SD-CE2 4.41Å; M534-F538 HydrophobicContact SD-CZ 4.28Å; V535-F538 PolarHBondContact O-N 3.35Å; N536-F538 VanDerWaalsContact C-N 3.28Å; N536-F538 PolarHBondContact O-N 2.77Å; F538-Y540 VanDerWaalsContact C-N 3.26Å; F538-Y540 PolarHBondContact O-N 3.4Å; F538-L541 HydrophobicContact CD1-CD1 3.83Å; F538-L541 WeakPolarHBondContact O-CB 3.37Å; F538-L541 PolarHBondContact O-N 2.73Å; F538-L541 VanDerWaalsContact O-N 3.11Å; F538-L546 HydrophobicContact CB-CD2 3.83Å; F538-L546 HydrophobicContact CG-CD2 4.25Å; F538-L546 WeakPolarHBondContact O-CD2 3.43Å; F538-L549 HydrophobicContact CD1-CD1 3.86Å; F538-L549 HydrophobicContact CE1-CD1 3.66Å; F538-L549 HydrophobicContact CZ-CD1 4.44Å; F538-F556 HydrophobicContact CE2-CD1 4.11Å; F538-F556 HydrophobicContact CZ-CB 4.44Å; F538-F556 AromaticContact CZ-CD1 3.66Å; F538-F556 HydrophobicContact CZ-CD1 3.66Å; F538-F556 HydrophobicContact CZ-CE1 4.16Å; F538-F556 HydrophobicContact CZ-CG 4.15Å; F538-L559 HydrophobicContact CE2-CD1 4.27Å; F538-I560 HydrophobicContact CD2-CD1 4.29Å; F538-I560 HydrophobicContact CD2-CG1 3.86Å; F538-I560 HydrophobicContact CE2-CG1 4.35Å; F538-V565 HydrophobicContact CB-CB 4.47Å; F538-V565 HydrophobicContact CB-CG1 3.76Å
539S85.3Confident81.3Confident46 Ų4662.1 Ų62.132%0.32233%0.328SS..Hα-helixtrans-65.1-27.1176.770.20000114V535 N536 I537 L541 V568V535-S539 PolarHBondContact O-N 2.92Å; N536-S539 PolarHBondContact O-N 2.6Å; N536-S539 VanDerWaalsContact O-N 3.1Å; N536-S539 PolarHBondContact O-OG 3.29Å; I537-S539 PolarHBondContact O-N 2.85Å; S539-L541 VanDerWaalsContact C-N 3.31Å; S539-V568 PolarHBondContact O-N 3.12Å
540Y87.9Confident80.9Confident177 Ų17759.8 Ų59.869%0.69432%0.315SS*.THydrogen-bonded Turntrans-82.1-4.9175.2-63.2-67.9000113.7N536 I537 F538 V568N536-Y540 WeakPolarHBondContact O-CD2 3.38Å; I537-Y540 PolarHBondContact O-N 3.12Å; F538-Y540 VanDerWaalsContact C-N 3.26Å; F538-Y540 PolarHBondContact O-N 3.4Å; Y540-V568 WeakPolarHBondContact O-CG1 3.33Å
541L83.1Confident80Confident45 Ų4560.3 Ų60.324%0.23632%0.319CS..SBendtrans-85.9141.9-176.7-66.7-178.7000112.3F538 S539 L546 L549 A567 V568F538-L541 HydrophobicContact CD1-CD1 3.83Å; F538-L541 WeakPolarHBondContact O-CB 3.37Å; F538-L541 PolarHBondContact O-N 2.73Å; F538-L541 VanDerWaalsContact O-N 3.11Å; S539-L541 VanDerWaalsContact C-N 3.31Å; L541-L546 HydrophobicContact CB-CD2 3.91Å; L541-L546 HydrophobicContact CB-CG 3.92Å; L541-L546 HydrophobicContact CD1-CD2 3.97Å; L541-L549 HydrophobicContact CD1-CD1 3.36Å; L541-A567 VanDerWaalsContact O-CA 3.23Å; L541-A567 WeakPolarHBondContact O-CA 3.24Å; L541-A567 VanDerWaalsContact O-CB 3.32Å; L541-A567 WeakPolarHBondContact O-CB 3.31Å; L541-V568 PolarHBondContact O-N 3.04Å; L541-V568 VanDerWaalsContact O-N 3.08Å
542P69.9Low79.5Confident47 Ų4762.8 Ų62.831%0.30534%0.336SS..  trans-71.6160.517329.5-34.8000111.8R544 S545 L546 D569P542-R544 PolarHBondContact O-N 2.88Å; P542-R544 VanDerWaalsContact O-N 3.12Å; P542-S545 WeakPolarHBondContact O-CA 3.35Å; P542-S545 WeakPolarHBondContact O-CB 3.45Å; P542-S545 PolarHBondContact O-N 3.5Å; P542-L546 PolarHBondContact O-N 3.47Å; P542-D569 WeakPolarHBondContact CA-OD2 3.35Å; P542-D569 VanDerWaalsContact CB-OD2 3.22Å; P542-D569 WeakPolarHBondContact CB-OD2 3.36Å
543T68.3Low78.8Confident49 Ų4959.4 Ų59.430%0.30133%0.326SS..Hα-helixtrans-56.4-36.6-172.4-70.60000111.7S545 A547 A567 D569T543-S545 PolarHBondContact O-N 3.47Å; T543-A547 WeakPolarHBondContact O-CB 3.38Å; T543-A547 PolarHBondContact O-N 3.33Å; T543-A567 VanDerWaalsContact OG1-CB 3.24Å; T543-A567 WeakPolarHBondContact OG1-CB 3.25Å; T543-D569 VanDerWaalsContact CB-OD1 3.23Å; T543-D569 WeakPolarHBondContact CB-OD1 3.34Å; T543-D569 PolarHBondContact N-OD1 2.74Å; T543-D569 PolarHBondContact N-OD2 2.93Å; T543-D569 PolarHBondContact OG1-OD1 3.03Å
544R68.1Low78.3Confident209 Ų20963 Ų6379%0.78934%0.341SS*.Hα-helixtrans-61.4-40.3174.8-179.1173.9175.1-106.6-0.5112.7P542 A548P542-R544 PolarHBondContact O-N 2.88Å; P542-R544 VanDerWaalsContact O-N 3.12Å; R544-A548 PolarHBondContact O-N 3.03Å; R544-A548 VanDerWaalsContact O-N 3.12Å
545S76.6Confident78Confident44 Ų4466.8 Ų66.831%0.30836%0.356SS..Hα-helixtrans-76.3-42.2-178.9-62.70000111.7P542 T543 A547 A548 L549P542-S545 WeakPolarHBondContact O-CA 3.35Å; P542-S545 WeakPolarHBondContact O-CB 3.45Å; P542-S545 PolarHBondContact O-N 3.5Å; T543-S545 PolarHBondContact O-N 3.47Å; S545-A547 PolarHBondContact O-N 3.35Å; S545-A548 WeakPolarHBondContact O-CB 3.4Å; S545-A548 PolarHBondContact O-N 3.08Å; S545-L549 PolarHBondContact O-N 3.08Å
546L75.8Confident77.8Confident6 Ų666.4 Ų66.43%0.03135%0.352CS..Hα-helixtrans-64.3-38.8172.4-70.2-174.4000112.5F538 L541 P542 A548 L549 K550 I560 A567F538-L546 HydrophobicContact CB-CD2 3.83Å; F538-L546 HydrophobicContact CG-CD2 4.25Å; F538-L546 WeakPolarHBondContact O-CD2 3.43Å; L541-L546 HydrophobicContact CB-CD2 3.91Å; L541-L546 HydrophobicContact CB-CG 3.92Å; L541-L546 HydrophobicContact CD1-CD2 3.97Å; P542-L546 PolarHBondContact O-N 3.47Å; L546-A548 VanDerWaalsContact C-N 3.3Å; L546-A548 PolarHBondContact O-N 2.96Å; L546-L549 HydrophobicContact CD2-CD1 4.35Å; L546-L549 PolarHBondContact O-N 3.36Å; L546-K550 WeakPolarHBondContact O-CB 3.47Å; L546-K550 WeakPolarHBondContact O-CG 3.33Å; L546-K550 PolarHBondContact O-N 3.32Å; L546-I560 HydrophobicContact CD2-CD1 3.99Å; L546-A567 HydrophobicContact CD1-CB 3.88Å
547A68.1Low77.3Confident43 Ų4364.4 Ų64.436%0.35534%0.339SS..Hα-helixtrans-61.2-39.3173.400000112T543 S545 C551T543-A547 WeakPolarHBondContact O-CB 3.38Å; T543-A547 PolarHBondContact O-N 3.33Å; S545-A547 PolarHBondContact O-N 3.35Å; A547-C551 PolarHBondContact O-N 2.86Å; A547-C551 PolarHBondContact O-SG 3.09Å
548A71.7Confident76.9Confident52 Ų5262.6 Ų62.643%0.4333%0.334SS..Hα-helixtrans-64.9-46.9174.100000112.2R544 S545 L546 K550 C551 T552R544-A548 PolarHBondContact O-N 3.03Å; R544-A548 VanDerWaalsContact O-N 3.12Å; S545-A548 WeakPolarHBondContact O-CB 3.4Å; S545-A548 PolarHBondContact O-N 3.08Å; L546-A548 VanDerWaalsContact C-N 3.3Å; L546-A548 PolarHBondContact O-N 2.96Å; A548-K550 PolarHBondContact O-N 3.43Å; A548-C551 CarbonylContact O-C 3.54Å; A548-C551 WeakPolarHBondContact O-CA 3.44Å; A548-C551 WeakPolarHBondContact O-CB 2.98Å; A548-C551 PolarHBondContact O-N 3.26Å; A548-T552 PolarHBondContact O-N 3Å
549L76.8Confident76.7Confident35 Ų3562.9 Ų62.918%0.18334%0.336CS..Hα-helixtrans-63-39.6178.2-72.8166.8000112.9F538 L541 S545 L546 C551 T552 F556 I560F538-L549 HydrophobicContact CD1-CD1 3.86Å; F538-L549 HydrophobicContact CE1-CD1 3.66Å; F538-L549 HydrophobicContact CZ-CD1 4.44Å; L541-L549 HydrophobicContact CD1-CD1 3.36Å; S545-L549 PolarHBondContact O-N 3.08Å; L546-L549 HydrophobicContact CD2-CD1 4.35Å; L546-L549 PolarHBondContact O-N 3.36Å; L549-C551 PolarHBondContact O-N 2.9Å; L549-C551 VanDerWaalsContact O-N 3.09Å; L549-T552 PolarHBondContact O-N 3.47Å; L549-T552 PolarHBondContact O-OG1 2.91Å; L549-F556 HydrophobicContact CB-CB 4.48Å; L549-F556 HydrophobicContact CD2-CD2 4.01Å; L549-F556 HydrophobicContact CD2-CE2 4.29Å; L549-I560 HydrophobicContact CB-CD1 4.42Å
550K74.3Confident76.4Confident10 Ų1060.7 Ų60.74%0.04332%0.32CS..Hα-helixtrans-60.1-16.4169.6-73.2-179.1-172.3-174.50113.3L546 A548 I560 D594 S596 R599L546-K550 WeakPolarHBondContact O-CB 3.47Å; L546-K550 WeakPolarHBondContact O-CG 3.33Å; L546-K550 PolarHBondContact O-N 3.32Å; A548-K550 PolarHBondContact O-N 3.43Å; K550-I560 HydrophobicContact CD-CG2 4.47Å; K550-I560 HydrophobicContact CG-CD1 3.89Å; K550-D594 IonicContact NZ-OD1 3.68Å; K550-D594 PolarHBondContact NZ-OD1 3.02Å; K550-S596 PolarHBondContact NZ-OG 3.28Å; K550-R599 PolarHBondContact O-NE 3.02Å; K550-R599 PolarHBondContact O-NH2 3.08Å
551C69.4Low76Confident76 Ų7654.5 Ų54.551%0.51430%0.298SS..Hα-helixtrans-101.6-23.2178.9-64.50000114.5A547 A548 L549 R599A547-C551 PolarHBondContact O-N 2.86Å; A547-C551 PolarHBondContact O-SG 3.09Å; A548-C551 CarbonylContact O-C 3.54Å; A548-C551 WeakPolarHBondContact O-CA 3.44Å; A548-C551 WeakPolarHBondContact O-CB 2.98Å; A548-C551 PolarHBondContact O-N 3.26Å; L549-C551 PolarHBondContact O-N 2.9Å; L549-C551 VanDerWaalsContact O-N 3.09Å; C551-R599 PolarHBondContact SG-NH1 2.88Å; C551-R599 VanDerWaalsContact SG-NH1 3.43Å
552T74.5Confident75.9Confident104 Ų10456.4 Ų56.464%0.63831%0.312SS*.Hα-helixtrans-81.6-38.8-178.352.60000113.6A548 L549A548-T552 PolarHBondContact O-N 3Å; L549-T552 PolarHBondContact O-N 3.47Å; L549-T552 PolarHBondContact O-OG1 2.91Å
553C74.6Confident76.4Confident52 Ų5260 Ų6035%0.35132%0.32SS..  trans-142.6144.7-176.4-169.50000113.2Y555 F556 K557C553-Y555 VanDerWaalsContact C-N 3.28Å; C553-Y555 PolarHBondContact O-N 3.45Å; C553-Y555 PolarHBondContact SG-N 3.1Å; C553-Y555 VanDerWaalsContact SG-N 3.43Å; C553-F556 HydrophobicContact CB-CD2 3.66Å; C553-F556 HydrophobicContact CB-CE2 4.06Å; C553-F556 HydrophobicContact CB-CG 4.28Å; C553-K557 PolarHBondContact O-N 2.88Å
554H77.9Confident76.6Confident136 Ų13658.3 Ų58.363%0.6331%0.312SS*.Hα-helixtrans-66.7-29.9173.5-167.7-88.9000112.5K557 A558H554-K557 PolarHBondContact O-N 2.62Å; H554-A558 WeakPolarHBondContact O-CB 3.23Å; H554-A558 PolarHBondContact O-N 3.28Å
555Y83.5Confident77Confident79 Ų7948.6 Ų48.631%0.3128%0.276SS..Hα-helixtrans-65.4-52.2177.6179.5-127.7000111.5L527 D531 M534 C553 K557 A558 L559L527-Y555 HydrophobicContact CD2-CD1 3.4Å; L527-Y555 VanDerWaalsContact CD2-CD1 3.4Å; L527-Y555 HydrophobicContact CD2-CE1 3.68Å; L527-Y555 HydrophobicContact CD2-CG 4.48Å; D531-Y555 PolarHBondContact OD1-OH 3.46Å; M534-Y555 HydrophobicContact CE-CE1 3.73Å; M534-Y555 WeakPolarHBondContact CE-OH 3.32Å; M534-Y555 HydrophobicContact SD-CE1 4.22Å; C553-Y555 VanDerWaalsContact C-N 3.28Å; C553-Y555 PolarHBondContact O-N 3.45Å; C553-Y555 PolarHBondContact SG-N 3.1Å; C553-Y555 VanDerWaalsContact SG-N 3.43Å; Y555-K557 VanDerWaalsContact C-N 3.3Å; Y555-K557 PolarHBondContact O-N 2.83Å; Y555-A558 WeakPolarHBondContact O-CA 3.24Å; Y555-A558 WeakPolarHBondContact O-CB 3.18Å; Y555-A558 PolarHBondContact O-N 2.95Å; Y555-L559 HydrophobicContact CD1-CD1 4.11Å; Y555-L559 HydrophobicContact CD2-CD1 4.32Å; Y555-L559 HydrophobicContact CD2-CG 4.24Å; Y555-L559 HydrophobicContact CE1-CD1 3.79Å; Y555-L559 HydrophobicContact CE2-CD1 3.97Å; Y555-L559 HydrophobicContact CE2-CD2 4.02Å; Y555-L559 HydrophobicContact CE2-CG 3.97Å; Y555-L559 HydrophobicContact CG-CD1 4.39Å; Y555-L559 WeakPolarHBondContact O-CG 3.48Å; Y555-L559 PolarHBondContact O-N 2.73Å
556F81.9Confident76.7Confident23 Ų2350.9 Ų50.910%0.10128%0.281CS..Hα-helixtrans-60.7-38175.2-55.1-38.7000112.6M526 L527 M534 F538 L549 C553 L559 I560M526-F556 HydrophobicContact CB-CE1 4.02Å; M526-F556 HydrophobicContact CB-CZ 3.76Å; M526-F556 HydrophobicContact CE-CE1 4.3Å; M526-F556 HydrophobicContact CG-CZ 4.39Å; M526-F556 HydrophobicContact SD-CE1 4.25Å; M526-F556 HydrophobicContact SD-CZ 4.02Å; L527-F556 HydrophobicContact CD2-CE1 4.49Å; M534-F556 HydrophobicContact SD-CD1 4.36Å; M534-F556 HydrophobicContact SD-CE1 4.06Å; F538-F556 HydrophobicContact CE2-CD1 4.11Å; F538-F556 HydrophobicContact CZ-CB 4.44Å; F538-F556 AromaticContact CZ-CD1 3.66Å; F538-F556 HydrophobicContact CZ-CD1 3.66Å; F538-F556 HydrophobicContact CZ-CE1 4.16Å; F538-F556 HydrophobicContact CZ-CG 4.15Å; L549-F556 HydrophobicContact CB-CB 4.48Å; L549-F556 HydrophobicContact CD2-CD2 4.01Å; L549-F556 HydrophobicContact CD2-CE2 4.29Å; C553-F556 HydrophobicContact CB-CD2 3.66Å; C553-F556 HydrophobicContact CB-CE2 4.06Å; C553-F556 HydrophobicContact CB-CG 4.28Å; F556-L559 HydrophobicContact CD1-CD1 4.35Å; F556-L559 PolarHBondContact O-N 3.43Å; F556-I560 WeakPolarHBondContact O-CB 3.48Å; F556-I560 WeakPolarHBondContact O-CD1 3.46Å; F556-I560 WeakPolarHBondContact O-CG1 3.23Å; F556-I560 PolarHBondContact O-N 3.39Å
557K79Confident76.4Confident49 Ų4951 Ų5121%0.21328%0.283CS..Hα-helixtrans-57.3-49.3170.1176.1-170.1163.1-69.70111.3C553 H554 Y555 I560 E561C553-K557 PolarHBondContact O-N 2.88Å; H554-K557 PolarHBondContact O-N 2.62Å; Y555-K557 VanDerWaalsContact C-N 3.3Å; Y555-K557 PolarHBondContact O-N 2.83Å; K557-I560 PolarHBondContact O-N 2.89Å; K557-E561 VanDerWaalsContact CE-OE1 3.24Å; K557-E561 WeakPolarHBondContact CE-OE1 3.38Å; K557-E561 WeakPolarHBondContact CE-OE2 3.47Å; K557-E561 HydrophobicContact CG-CG 4.4Å; K557-E561 VanDerWaalsContact NZ-CD 3.33Å; K557-E561 IonicContact NZ-OE1 3.75Å; K557-E561 PolarHBondContact NZ-OE1 3.43Å; K557-E561 IonicContact NZ-OE2 3.39Å; K557-E561 PolarHBondContact NZ-OE2 3.04Å; K557-E561 WeakPolarHBondContact O-CB 3.47Å; K557-E561 WeakPolarHBondContact O-CG 3.27Å; K557-E561 PolarHBondContact O-N 2.88Å
558A81.3Confident76.6Confident31 Ų3153.7 Ų53.726%0.25630%0.295SS..Hα-helixtrans-64.2-42-17900000112.1H554 Y555 T562H554-A558 WeakPolarHBondContact O-CB 3.23Å; H554-A558 PolarHBondContact O-N 3.28Å; Y555-A558 WeakPolarHBondContact O-CA 3.24Å; Y555-A558 WeakPolarHBondContact O-CB 3.18Å; Y555-A558 PolarHBondContact O-N 2.95Å; A558-T562 WeakPolarHBondContact O-CB 3.45Å; A558-T562 PolarHBondContact O-N 2.93Å; A558-T562 PolarHBondContact O-OG1 2.96Å
559L83.8Confident76Confident7 Ų754.2 Ų54.24%0.03729%0.291CS..Hα-helixtrans-59.7-50.6174.5-68.6171.8000111.5D531 M534 F538 Y555 F556 E561 T562 Y563D531-L559 HydrophobicContact CB-CD2 4.2Å; D531-L559 VanDerWaalsContact CG-CD2 3.4Å; D531-L559 VanDerWaalsContact OD2-CD2 3.31Å; D531-L559 WeakPolarHBondContact OD2-CD2 3.22Å; M534-L559 HydrophobicContact CB-CD1 4.45Å; M534-L559 HydrophobicContact CE-CD1 3.6Å; M534-L559 HydrophobicContact SD-CD1 3.61Å; F538-L559 HydrophobicContact CE2-CD1 4.27Å; Y555-L559 HydrophobicContact CD1-CD1 4.11Å; Y555-L559 HydrophobicContact CD2-CD1 4.32Å; Y555-L559 HydrophobicContact CD2-CG 4.24Å; Y555-L559 HydrophobicContact CE1-CD1 3.79Å; Y555-L559 HydrophobicContact CE2-CD1 3.97Å; Y555-L559 HydrophobicContact CE2-CD2 4.02Å; Y555-L559 HydrophobicContact CE2-CG 3.97Å; Y555-L559 HydrophobicContact CG-CD1 4.39Å; Y555-L559 WeakPolarHBondContact O-CG 3.48Å; Y555-L559 PolarHBondContact O-N 2.73Å; F556-L559 HydrophobicContact CD1-CD1 4.35Å; F556-L559 PolarHBondContact O-N 3.43Å; L559-E561 PolarHBondContact O-N 3.12Å; L559-T562 PolarHBondContact O-N 2.87Å; L559-Y563 HydrophobicContact CD2-CD2 4.25Å; L559-Y563 HydrophobicContact CD2-CE2 3.89Å; L559-Y563 WeakPolarHBondContact O-CD2 3.45Å; L559-Y563 PolarHBondContact O-N 2.97Å
560I78.3Confident75.3Confident1 Ų153.8 Ų53.81%0.00529%0.291CS..Hα-helixtrans-66.7-36.8-177.5-61.4161.2000111.6F538 L546 L549 K550 F556 K557 G564 V565F538-I560 HydrophobicContact CD2-CD1 4.29Å; F538-I560 HydrophobicContact CD2-CG1 3.86Å; F538-I560 HydrophobicContact CE2-CG1 4.35Å; L546-I560 HydrophobicContact CD2-CD1 3.99Å; L549-I560 HydrophobicContact CB-CD1 4.42Å; K550-I560 HydrophobicContact CD-CG2 4.47Å; K550-I560 HydrophobicContact CG-CD1 3.89Å; F556-I560 WeakPolarHBondContact O-CB 3.48Å; F556-I560 WeakPolarHBondContact O-CD1 3.46Å; F556-I560 WeakPolarHBondContact O-CG1 3.23Å; F556-I560 PolarHBondContact O-N 3.39Å; K557-I560 PolarHBondContact O-N 2.89Å; I560-G564 VanDerWaalsContact O-CA 3.28Å; I560-G564 WeakPolarHBondContact O-CA 3.15Å; I560-G564 PolarHBondContact O-N 3.26Å; I560-V565 HydrophobicContact CG1-CB 4.47Å; I560-V565 HydrophobicContact CG2-CB 4.04Å; I560-V565 PolarHBondContact O-N 3.02Å; I560-V565 VanDerWaalsContact O-N 3.08Å
561E78.6Confident74.1Confident46 Ų4657.9 Ų57.922%0.21531%0.306CS..Hα-helixtrans-72.7-34.4174.7-73.5177.8162.200112.9K557 L559 R588K557-E561 VanDerWaalsContact CE-OE1 3.24Å; K557-E561 WeakPolarHBondContact CE-OE1 3.38Å; K557-E561 WeakPolarHBondContact CE-OE2 3.47Å; K557-E561 HydrophobicContact CG-CG 4.4Å; K557-E561 VanDerWaalsContact NZ-CD 3.33Å; K557-E561 IonicContact NZ-OE1 3.75Å; K557-E561 PolarHBondContact NZ-OE1 3.43Å; K557-E561 IonicContact NZ-OE2 3.39Å; K557-E561 PolarHBondContact NZ-OE2 3.04Å; K557-E561 WeakPolarHBondContact O-CB 3.47Å; K557-E561 WeakPolarHBondContact O-CG 3.27Å; K557-E561 PolarHBondContact O-N 2.88Å; L559-E561 PolarHBondContact O-N 3.12Å; E561-R588 IonicContact OE1-NH1 2.81Å
562T81.1Confident73.3Confident86 Ų8657.4 Ų57.453%0.52829%0.293SS..Hα-helixtrans-75.7-48.8-178.5-67.20000112.2A558 L559 G564A558-T562 WeakPolarHBondContact O-CB 3.45Å; A558-T562 PolarHBondContact O-N 2.93Å; A558-T562 PolarHBondContact O-OG1 2.96Å; L559-T562 PolarHBondContact O-N 2.87Å; T562-G564 VanDerWaalsContact C-N 3.34Å
563Y80.8Confident71.9Confident122 Ų12254.9 Ų54.948%0.47828%0.276SS..Hα-helixtrans-87-5.4-179.6-65.9-72.4000113.1D531 V535 L559D531-Y563 HydrophobicContact CB-CE2 3.96Å; D531-Y563 PolarHBondContact OD2-OH 2.89Å; V535-Y563 HydrophobicContact CG2-CD1 4.16Å; V535-Y563 HydrophobicContact CG2-CD2 3.48Å; V535-Y563 VanDerWaalsContact CG2-CD2 3.48Å; V535-Y563 HydrophobicContact CG2-CE2 4.19Å; V535-Y563 HydrophobicContact CG2-CG 3.47Å; V535-Y563 VanDerWaalsContact CG2-CG 3.47Å; L559-Y563 HydrophobicContact CD2-CD2 4.25Å; L559-Y563 HydrophobicContact CD2-CE2 3.89Å; L559-Y563 WeakPolarHBondContact O-CD2 3.45Å; L559-Y563 PolarHBondContact O-N 2.97Å
564G72.3Confident70.6Confident13 Ų1361.2 Ų61.213%0.13430%0.3CS..THydrogen-bonded Turntrans60.849.4178.900000112.2I560 T562 H566I560-G564 VanDerWaalsContact O-CA 3.28Å; I560-G564 WeakPolarHBondContact O-CA 3.15Å; I560-G564 PolarHBondContact O-N 3.26Å; T562-G564 VanDerWaalsContact C-N 3.34Å; G564-H566 PolarHBondContact O-CE1 2.89Å; G564-H566 VanDerWaalsContact O-CE1 3.29Å; G564-H566 PolarHBondContact O-N 3.47Å; G564-H566 PolarHBondContact O-ND1 3.15Å
565V77.7Confident69.1Low6 Ų656.3 Ų56.34%0.03628%0.279CS..PPolyproline II helixtrans-74.6119.3-173.8-168.80000110.7V535 F538 I560V535-V565 HydrophobicContact CB-CG2 4.43Å; V535-V565 HydrophobicContact CG1-CG2 4.15Å; V535-V565 HydrophobicContact CG2-CG2 4.12Å; F538-V565 HydrophobicContact CB-CB 4.47Å; F538-V565 HydrophobicContact CB-CG1 3.76Å; I560-V565 HydrophobicContact CG1-CB 4.47Å; I560-V565 HydrophobicContact CG2-CB 4.04Å; I560-V565 PolarHBondContact O-N 3.02Å; I560-V565 VanDerWaalsContact O-N 3.08Å
566H69.9Low67.5Low91 Ų9156.3 Ų56.342%0.42129%0.288SS..PPolyproline II helixtrans-87.9154.6177.4-62.857.3000110.2G564 G593 V595G564-H566 PolarHBondContact O-CE1 2.89Å; G564-H566 VanDerWaalsContact O-CE1 3.29Å; G564-H566 PolarHBondContact O-N 3.47Å; G564-H566 PolarHBondContact O-ND1 3.15Å; H566-G593 VanDerWaalsContact CE1-CA 3.45Å; H566-G593 WeakPolarHBondContact CE1-CA 3.37Å; H566-V595 HydrophobicContact CB-CG2 4.25Å; H566-V595 WeakPolarHBondContact CD2-CG1 3.09Å
567A69.6Low65.9Low8 Ų861.6 Ų61.67%0.06632%0.317CS..PPolyproline II helixtrans-84152.6174.500000111.7L541 T543 L546 D569 S570L541-A567 VanDerWaalsContact O-CA 3.23Å; L541-A567 WeakPolarHBondContact O-CA 3.24Å; L541-A567 VanDerWaalsContact O-CB 3.32Å; L541-A567 WeakPolarHBondContact O-CB 3.31Å; T543-A567 VanDerWaalsContact OG1-CB 3.24Å; T543-A567 WeakPolarHBondContact OG1-CB 3.25Å; L546-A567 HydrophobicContact CD1-CB 3.88Å; A567-D569 VanDerWaalsContact C-N 3.27Å; A567-D569 WeakPolarHBondContact CB-OD1 3.46Å; A567-D569 PolarHBondContact O-N 3.02Å; A567-S570 WeakPolarHBondContact O-CB 3.5Å; A567-S570 PolarHBondContact O-N 2.97Å
568V71.4Confident64.5Low100 Ų10061.6 Ų61.661%0.60632%0.316SS*.THydrogen-bonded Turntrans-65.1-30.4177.6710000113.1S539 Y540 L541 S570S539-V568 PolarHBondContact O-N 3.12Å; Y540-V568 WeakPolarHBondContact O-CG1 3.33Å; L541-V568 PolarHBondContact O-N 3.04Å; L541-V568 VanDerWaalsContact O-N 3.08Å; V568-S570 VanDerWaalsContact C-N 3.29Å
569D59.8Low63Low63 Ų6367.3 Ų67.334%0.33733%0.331SS..THydrogen-bonded Turntrans-85.84.3174.263.70.1000113.1P542 T543 A567 R571P542-D569 WeakPolarHBondContact CA-OD2 3.35Å; P542-D569 VanDerWaalsContact CB-OD2 3.22Å; P542-D569 WeakPolarHBondContact CB-OD2 3.36Å; T543-D569 VanDerWaalsContact CB-OD1 3.23Å; T543-D569 WeakPolarHBondContact CB-OD1 3.34Å; T543-D569 PolarHBondContact N-OD1 2.74Å; T543-D569 PolarHBondContact N-OD2 2.93Å; T543-D569 PolarHBondContact OG1-OD1 3.03Å; A567-D569 VanDerWaalsContact C-N 3.27Å; A567-D569 WeakPolarHBondContact CB-OD1 3.46Å; A567-D569 PolarHBondContact O-N 3.02Å; D569-R571 PolarHBondContact O-N 3.23Å
570S62.2Low61.5Low26 Ų2671 Ų7118%0.18235%0.351CS..  trans-73.886.6-172-157.70000112.3A567 V568 W572 V595A567-S570 WeakPolarHBondContact O-CB 3.5Å; A567-S570 PolarHBondContact O-N 2.97Å; V568-S570 VanDerWaalsContact C-N 3.29Å; S570-W572 PolarHBondContact O-N 3.09Å; S570-W572 VanDerWaalsContact OG-CD1 3.23Å; S570-V595 WeakPolarHBondContact OG-CB 3.48Å
571R49.6Very low60.2Low96 Ų9672.8 Ų72.836%0.36236%0.36SS..  trans-75.138175.2-69.4175-174.1-120.810.1112.7D569 D635 N636 N637 W638D569-R571 PolarHBondContact O-N 3.23Å; R571-D635 HydrophobicContact CB-CB 3.86Å; R571-N636 CarbonylContact O-C 3.49Å; R571-N636 VanDerWaalsContact O-CA 3.27Å; R571-N636 WeakPolarHBondContact O-CA 3.18Å; R571-N636 WeakPolarHBondContact O-CB 3.16Å; R571-N636 PolarHBondContact O-N 3.32Å; R571-N637 HydrophobicContact CB-CB 3.81Å; R571-N637 HydrophobicContact CG-CB 4.35Å; R571-N637 PolarHBondContact NH1-O 3.37Å; R571-N637 VanDerWaalsContact NH1-O 3.09Å; R571-N637 PolarHBondContact O-N 3.39Å; R571-W638 VanDerWaalsContact CD-CD1 3.44Å; R571-W638 VanDerWaalsContact CD-NE1 3.32Å
572W52.3Low59Low66 Ų6672.9 Ų72.925%0.2537%0.365CS..  trans-76.7139.6178.6-83.372.3000112S570 V595 L597S570-W572 PolarHBondContact O-N 3.09Å; S570-W572 VanDerWaalsContact OG-CD1 3.23Å; W572-V595 HydrophobicContact CB-CG1 4.24Å; W572-V595 HydrophobicContact CD2-CG1 4.42Å; W572-V595 HydrophobicContact CG-CB 4.33Å; W572-V595 HydrophobicContact CG-CG1 3.98Å; W572-V595 PolarHBondContact NE1-O 2.96Å; W572-L597 HydrophobicContact CZ2-CD2 4.33Å
573N45.1Very low57.9Low52 Ų5268.9 Ų68.928%0.27834%0.341SS..  trans-85.7128.2177.1178.613.8000109D575 Y578 N636N573-D575 VanDerWaalsContact C-N 3.26Å; N573-D575 VanDerWaalsContact ND2-CB 3.25Å; N573-D575 WeakPolarHBondContact ND2-CB 3.35Å; N573-D575 PolarHBondContact O-N 3.27Å; N573-D575 VanDerWaalsContact OD1-CB 3.31Å; N573-D575 WeakPolarHBondContact OD1-CB 3.34Å; N573-D575 PolarHBondContact OD1-N 2.86Å; N573-D575 VanDerWaalsContact OD1-N 3.1Å; N573-Y578 WeakPolarHBondContact ND2-CE2 3.27Å; N573-N636 HydrophobicContact CB-CB 3.66Å
574Q46.8Very low56.5Low184 Ų18468 Ų6886%0.8634%0.339SS*.  trans-79.8-5.3-178.8-62.2178.3-2.300113.4
575D46.3Very low55.3Low34 Ų3472.3 Ų72.318%0.18236%0.356CS..  trans-47.9121.2172-173.3-34.9000110.8N573 L577 Y578 R579 R650N573-D575 VanDerWaalsContact C-N 3.26Å; N573-D575 VanDerWaalsContact ND2-CB 3.25Å; N573-D575 WeakPolarHBondContact ND2-CB 3.35Å; N573-D575 PolarHBondContact O-N 3.27Å; N573-D575 VanDerWaalsContact OD1-CB 3.31Å; N573-D575 WeakPolarHBondContact OD1-CB 3.34Å; N573-D575 PolarHBondContact OD1-N 2.86Å; N573-D575 VanDerWaalsContact OD1-N 3.1Å; D575-L577 PolarHBondContact O-N 2.9Å; D575-L577 WeakPolarHBondContact OD1-CB 3.46Å; D575-L577 WeakPolarHBondContact OD1-CG 3.28Å; D575-L577 PolarHBondContact OD1-N 3.38Å; D575-L577 VanDerWaalsContact OD1-N 3.15Å; D575-Y578 HydrophobicContact CB-CD2 3.96Å; D575-Y578 PolarHBondContact O-N 3.16Å; D575-R579 PolarHBondContact O-N 2.91Å; D575-R650 IonicContact OD2-NH2 3.41Å; D575-R650 PolarHBondContact OD2-NH2 2.75Å
576P49.7Very low54.1Low78 Ų7874.5 Ų74.551%0.50637%0.371SS..Hα-helixtrans-53.6-28.3-175.4-29.736000114.5Y578 R579 D580P576-Y578 PolarHBondContact O-N 2.97Å; P576-R579 PolarHBondContact O-N 3.21Å; P576-D580 PolarHBondContact O-N 3.31Å
577L48.1Very low53.5Low134 Ų13478.6 Ų78.670%0.70239%0.387SS*.Hα-helixtrans-63.5-21.3176.9-62.1172.2000113.4D575D575-L577 PolarHBondContact O-N 2.9Å; D575-L577 WeakPolarHBondContact OD1-CB 3.46Å; D575-L577 WeakPolarHBondContact OD1-CG 3.28Å; D575-L577 PolarHBondContact OD1-N 3.38Å; D575-L577 VanDerWaalsContact OD1-N 3.15Å
578Y49.7Very low52.8Low49 Ų4983.9 Ų83.919%0.19241%0.406CS..Hα-helixtrans-94.9-34.5176.7-74.1-105.4000112.5N573 D575 P576 D580 M617 N636N573-Y578 WeakPolarHBondContact ND2-CE2 3.27Å; D575-Y578 HydrophobicContact CB-CD2 3.96Å; D575-Y578 PolarHBondContact O-N 3.16Å; P576-Y578 PolarHBondContact O-N 2.97Å; Y578-D580 VanDerWaalsContact C-N 3.25Å; Y578-D580 PolarHBondContact O-N 2.82Å; Y578-M617 HydrophobicContact CE2-CE 4.29Å; Y578-M617 WeakPolarHBondContact OH-CB 3.47Å; Y578-M617 PolarHBondContact OH-O 3.33Å; Y578-N636 WeakPolarHBondContact CD1-OD1 3.45Å; Y578-N636 VanDerWaalsContact CE1-OD1 3.28Å; Y578-N636 WeakPolarHBondContact CE1-OD1 3.36Å
579R50.5Low52.1Low151 Ų15185.7 Ų85.757%0.5741%0.407SS*.Hα-helixtrans-58.3-40.1177-171.1-168.866.9-162.5-8.4111.5D575 P576D575-R579 PolarHBondContact O-N 2.91Å; P576-R579 PolarHBondContact O-N 3.21Å
580D51.3Low51.9Low85 Ų8584.9 Ų84.946%0.45540%0.4SS..THydrogen-bonded Turntrans-95.63.9-168.4-58.4-16.8000113.8P576 Y578 P582P576-D580 PolarHBondContact O-N 3.31Å; Y578-D580 VanDerWaalsContact C-N 3.25Å; Y578-D580 PolarHBondContact O-N 2.82Å; D580-P582 VanDerWaalsContact O-CD 3.28Å; D580-P582 WeakPolarHBondContact O-CD 3.32Å
581D50.9Low51.4Low39 Ų3992.1 Ų92.121%0.20943%0.431CS..  trans-82.1107.9178.3174.347.8000112.9K584 K603D581-K584 IonicContact OD1-NZ 3.97Å; D581-K584 PolarHBondContact OD1-NZ 3.11Å; D581-K603 PolarHBondContact O-NZ 3.37Å; D581-K603 IonicContact OD2-NZ 3.74Å; D581-K603 PolarHBondContact OD2-NZ 3.3Å
582P53.3Low51.4Low47 Ų4795.7 Ų95.731%0.30544%0.444SS..  trans-65.1155.4-176.127.4-35.3000113.2D580 K584 Q589D580-P582 VanDerWaalsContact O-CD 3.28Å; D580-P582 WeakPolarHBondContact O-CD 3.32Å; P582-K584 PolarHBondContact O-N 3.07Å; P582-Q589 HydrophobicContact CB-CG 3.92Å
583C58.4Low51Low3 Ų394 Ų942%0.0245%0.447CS..  trans-63.9119.9171.8175.70000110.8Q585 C586 K587 R588 C598C583-Q585 PolarHBondContact O-N 2.99Å; C583-Q585 VanDerWaalsContact O-N 3.08Å; C583-C586 VanDerWaalsContact CB-SG 3.53Å; C583-C586 PolarHBondContact O-N 3.15Å; C583-C586 VanDerWaalsContact SG-SG 3.68Å; C583-K587 WeakPolarHBondContact O-CA 3.36Å; C583-K587 PolarHBondContact O-N 2.76Å; C583-R588 PolarHBondContact N-O 3.23Å; C583-R588 VanDerWaalsContact N-O 3.11Å; C583-C598 HydrophobicContact CB-CB 3.8Å; C583-C598 WeakPolarHBondContact SG-CB 3.28Å
584K52.5Low50.9Low102 Ų10292.5 Ų92.544%0.44344%0.439SS..THydrogen-bonded Turntrans-62.3-20.5-176.9-56.1-165.6-168.6-51.80114.6D581 P582 W616D581-K584 IonicContact OD1-NZ 3.97Å; D581-K584 PolarHBondContact OD1-NZ 3.11Å; P582-K584 PolarHBondContact O-N 3.07Å; K584-W616 VanDerWaalsContact CE-NE1 3.32Å; K584-W616 VanDerWaalsContact NZ-CE2 3.32Å
585Q47.3Very low50.7Low104 Ų10484.4 Ų84.449%0.48640%0.402SS..THydrogen-bonded Turntrans-95.5-31.2-177.6-68.6-178.4-4.200114.3C583 H601C583-Q585 PolarHBondContact O-N 2.99Å; C583-Q585 VanDerWaalsContact O-N 3.08Å; Q585-H601 HydrophobicContact CB-CB 3.88Å; Q585-H601 HydrophobicContact CG-CB 4.48Å; Q585-H601 PolarHBondContact OE1-CD2 3.43Å; Q585-H601 VanDerWaalsContact OE1-CG 3.27Å
586C50.8Low50.4Low52 Ų5283.7 Ų83.735%0.35140%0.4SS..THydrogen-bonded Turntrans-115.6-3.8175.670.10000115.2C583 R588 C598C583-C586 VanDerWaalsContact CB-SG 3.53Å; C583-C586 PolarHBondContact O-N 3.15Å; C583-C586 VanDerWaalsContact SG-SG 3.68Å; C586-R588 PolarHBondContact O-N 2.67Å; C586-R588 VanDerWaalsContact SG-CB 3.55Å; C586-C598 PolarHBondContact SG-SG 3.16Å
587K56.9Low50.3Low177 Ų17783.4 Ų83.477%0.7739%0.394SS*.  trans58.54.8-175.3-56-176.1-179-178.50116.2C583 Q589C583-K587 WeakPolarHBondContact O-CA 3.36Å; C583-K587 PolarHBondContact O-N 2.76Å; K587-Q589 PolarHBondContact O-N 3.1Å
588R55.8Low50Low120 Ų12077.5 Ų77.545%0.45336%0.363SS..  trans-63.4127.5177-163.2174.9-169.9-147.83.1110.3E561 C583 C586 Y590E561-R588 IonicContact OE1-NH1 2.81Å; C583-R588 PolarHBondContact N-O 3.23Å; C583-R588 VanDerWaalsContact N-O 3.11Å; C586-R588 PolarHBondContact O-N 2.67Å; C586-R588 VanDerWaalsContact SG-CB 3.55Å; R588-Y590 HydrophobicContact CB-CE2 4.13Å; R588-Y590 HydrophobicContact CG-CE1 4.46Å; R588-Y590 HydrophobicContact CG-CE2 4.3Å
589Q57.3Low49.6Very low138 Ų13879.2 Ų79.265%0.64537%0.369SS*.  trans-87.6153163.9-67.8170.6-61.700108.7P582 K587P582-Q589 HydrophobicContact CB-CG 3.92Å; K587-Q589 PolarHBondContact O-N 3.1Å
590Y55.2Low49Very low46 Ų4681.4 Ų81.418%0.1838%0.378CS..  trans-126.799-171.9-73.3-83.9000109.9R588 R592 D594 C598R588-Y590 HydrophobicContact CB-CE2 4.13Å; R588-Y590 HydrophobicContact CG-CE1 4.46Å; R588-Y590 HydrophobicContact CG-CE2 4.3Å; Y590-R592 PolarHBondContact O-N 3.45Å; Y590-D594 HydrophobicContact CD1-CB 3.74Å; Y590-D594 WeakPolarHBondContact CD1-OD2 3.43Å; Y590-D594 HydrophobicContact CE1-CB 4.43Å; Y590-D594 WeakPolarHBondContact CE1-OD2 3.49Å; Y590-D594 HydrophobicContact CG-CB 4.49Å; Y590-C598 HydrophobicContact CE2-CB 4.43Å; Y590-C598 WeakPolarHBondContact OH-CA 3.46Å; Y590-C598 PolarHBondContact OH-SG 3.49Å
591E51.7Low48.6Very low177 Ų17779.8 Ų79.883%0.82737%0.368SS*.  trans-75.3-24-166.8-61.4176.817900114.7
592R49.7Very low48.1Very low172 Ų17282.4 Ų82.465%0.64939%0.386SS*.SBendtrans-143.188.5-167.4-61.8-175.4-175.1-159-0.6112.9Y590 D594Y590-R592 PolarHBondContact O-N 3.45Å; R592-D594 PolarHBondContact O-N 3.09Å
593G44.6Very low47.5Very low29 Ų2981.8 Ų81.830%0.29938%0.379SS..  trans57.414.3162.800000117.3H566 V595H566-G593 VanDerWaalsContact CE1-CA 3.45Å; H566-G593 WeakPolarHBondContact CE1-CA 3.37Å; G593-V595 PolarHBondContact O-N 3.49Å
594D41.9Very low46.5Very low22 Ų2284.9 Ų84.912%0.11840%0.399CS..  trans-80.765.4-171-170.915000111K550 Y590 R592 S596K550-D594 IonicContact NZ-OD1 3.68Å; K550-D594 PolarHBondContact NZ-OD1 3.02Å; Y590-D594 HydrophobicContact CD1-CB 3.74Å; Y590-D594 WeakPolarHBondContact CD1-OD2 3.43Å; Y590-D594 HydrophobicContact CE1-CB 4.43Å; Y590-D594 WeakPolarHBondContact CE1-OD2 3.49Å; Y590-D594 HydrophobicContact CG-CB 4.49Å; R592-D594 PolarHBondContact O-N 3.09Å; D594-S596 PolarHBondContact O-N 2.78Å; D594-S596 PolarHBondContact OD1-OG 3.18Å
595V42.6Very low45.9Very low14 Ų1481.9 Ų81.99%0.08539%0.385CS..  trans-61.33.4-172-69.40000115.9H566 S570 W572 G593 L597H566-V595 HydrophobicContact CB-CG2 4.25Å; H566-V595 WeakPolarHBondContact CD2-CG1 3.09Å; S570-V595 WeakPolarHBondContact OG-CB 3.48Å; W572-V595 HydrophobicContact CB-CG1 4.24Å; W572-V595 HydrophobicContact CD2-CG1 4.42Å; W572-V595 HydrophobicContact CG-CB 4.33Å; W572-V595 HydrophobicContact CG-CG1 3.98Å; W572-V595 PolarHBondContact NE1-O 2.96Å; G593-V595 PolarHBondContact O-N 3.49Å; V595-L597 PolarHBondContact O-N 3.5Å; V595-L597 VanDerWaalsContact O-N 3.15Å
596S40.1Very low45.6Very low18 Ų1881.4 Ų81.413%0.12638%0.383CS..SBendtrans-68.1112.8161.634.70000110.1K550 D594 C598K550-S596 PolarHBondContact NZ-OG 3.28Å; D594-S596 PolarHBondContact O-N 2.78Å; D594-S596 PolarHBondContact OD1-OG 3.18Å; S596-C598 PolarHBondContact O-N 3.15Å; S596-C598 VanDerWaalsContact O-N 3.16Å
597L47.5Very low45.1Very low73 Ų7384.5 Ų84.538%0.38239%0.392SS..SBendtrans-29.5124.1142.3-77175.9000108.5W572 V595 R599 K603W572-L597 HydrophobicContact CZ2-CD2 4.33Å; V595-L597 PolarHBondContact O-N 3.5Å; V595-L597 VanDerWaalsContact O-N 3.15Å; L597-R599 PolarHBondContact O-N 3.16Å; L597-K603 HydrophobicContact CD2-CB 4.31Å
598C42.8Very low44.5Very low10 Ų1080 Ų807%0.06838%0.376CS..  trans-41128.5-163.7174.30000111.8C583 C586 Y590 S596 W600 H601C583-C598 HydrophobicContact CB-CB 3.8Å; C583-C598 WeakPolarHBondContact SG-CB 3.28Å; C586-C598 PolarHBondContact SG-SG 3.16Å; Y590-C598 HydrophobicContact CE2-CB 4.43Å; Y590-C598 WeakPolarHBondContact OH-CA 3.46Å; Y590-C598 PolarHBondContact OH-SG 3.49Å; S596-C598 PolarHBondContact O-N 3.15Å; S596-C598 VanDerWaalsContact O-N 3.16Å; C598-W600 PolarHBondContact O-N 3.36Å; C598-H601 HydrophobicContact CB-CB 4.08Å; C598-H601 CarbonylContact O-C 3.6Å; C598-H601 PolarHBondContact O-N 2.93Å
599R41Very low44.1Very low84 Ų8478.4 Ų78.432%0.31738%0.376SS..THydrogen-bonded Turntrans-37.7-16.9-174.7-174.764.1155.958.48.2118K550 C551 L597K550-R599 PolarHBondContact O-NE 3.02Å; K550-R599 PolarHBondContact O-NH2 3.08Å; C551-R599 PolarHBondContact SG-NH1 2.88Å; C551-R599 VanDerWaalsContact SG-NH1 3.43Å; L597-R599 PolarHBondContact O-N 3.16Å
600W37.4Very low43.6Very low198 Ų19877.5 Ų77.575%0.7538%0.382SS*.THydrogen-bonded Turntrans-130.7-8.2-178.6-54.4108.1000114.5C598C598-W600 PolarHBondContact O-N 3.36Å
601H42.1Very low43.2Very low51 Ų5186.2 Ų86.224%0.23642%0.416CS..  trans-145.892.4-159.1-58134000111.3Q585 C598 K603Q585-H601 HydrophobicContact CB-CB 3.88Å; Q585-H601 HydrophobicContact CG-CB 4.48Å; Q585-H601 PolarHBondContact OE1-CD2 3.43Å; Q585-H601 VanDerWaalsContact OE1-CG 3.27Å; C598-H601 HydrophobicContact CB-CB 4.08Å; C598-H601 CarbonylContact O-C 3.6Å; C598-H601 PolarHBondContact O-N 2.93Å; H601-K603 PolarHBondContact O-N 2.75Å
602P40.4Very low42.7Very low93 Ų9379.7 Ų79.760%0.60440%0.397SS*.  trans-59.2126.5165.126.3-33.3000108.8P604P602-P604 WeakPolarHBondContact O-CD 3.47Å; P602-P604 VanDerWaalsContact O-N 3.15Å
603K41.8Very low42.2Very low34 Ų3478.2 Ų78.215%0.14839%0.391CS..  trans-60.6115.4178.2-85-174.5177.8178.90108.6D581 L597 H601 Y605D581-K603 PolarHBondContact O-NZ 3.37Å; D581-K603 IonicContact OD2-NZ 3.74Å; D581-K603 PolarHBondContact OD2-NZ 3.3Å; L597-K603 HydrophobicContact CD2-CB 4.31Å; H601-K603 PolarHBondContact O-N 2.75Å; K603-Y605 HydrophobicContact CB-CD1 4.45Å; K603-Y605 HydrophobicContact CB-CE1 4.09Å; K603-Y605 WeakPolarHBondContact O-CD2 3.41Å; K603-Y605 PolarHBondContact O-N 3.18Å; K603-Y605 VanDerWaalsContact O-N 3.12Å
604P37.1Very low42Very low68 Ų6878.7 Ų78.744%0.44239%0.391SS..  trans-73.4108171.1-11.429.6000107.2P602 H606P602-P604 WeakPolarHBondContact O-CD 3.47Å; P602-P604 VanDerWaalsContact O-N 3.15Å; P604-H606 PolarHBondContact O-N 3.46Å; P604-H606 VanDerWaalsContact O-N 3.13Å
605Y41Very low42Very low40 Ų4085 Ų8516%0.15741%0.414CS..SBendtrans-72.7-2.1-170.5-69.2-69.7000115.1K603 Y615 W616 H634K603-Y605 HydrophobicContact CB-CD1 4.45Å; K603-Y605 HydrophobicContact CB-CE1 4.09Å; K603-Y605 WeakPolarHBondContact O-CD2 3.41Å; K603-Y605 PolarHBondContact O-N 3.18Å; K603-Y605 VanDerWaalsContact O-N 3.12Å; Y605-Y615 WeakPolarHBondContact O-CA 3.38Å; Y605-W616 HydrophobicContact CD1-CB 4.42Å; Y605-W616 PolarHBondContact O-N 3.34Å; Y605-H634 HydrophobicContact CD2-CB 3.68Å; Y605-H634 HydrophobicContact CE2-CB 3.67Å; Y605-H634 HydrophobicContact CG-CB 4.15Å; Y605-H634 PolarHBondContact OH-O 3.3Å
606H39.6Very low42Very low94 Ų9490.3 Ų90.344%0.43543%0.432SS..EExtended strand (participates in β ladder)trans-124.2143.8170.765.2-82.7000111.2P604 D608 S614 Y615P604-H606 PolarHBondContact O-N 3.46Å; P604-H606 VanDerWaalsContact O-N 3.13Å; H606-D608 IonicContact CD2-OD1 2.62Å; H606-S614 CarbonylContact C-O 3.57Å; H606-S614 VanDerWaalsContact CA-O 3.31Å; H606-S614 WeakPolarHBondContact CA-O 3.32Å; H606-Y615 HydrophobicContact CB-CD1 4.11Å; H606-Y615 HydrophobicContact CB-CE1 4.29Å
607H41.7Very low42Very low117 Ų11795.7 Ų95.754%0.54246%0.457SS..EExtended strand (participates in β ladder)trans-128.6120.9163.8-176.636.2000109.3L609 S614H607-L609 PolarHBondContact O-N 3.29Å; H607-S614 PolarHBondContact N-O 2.91Å; H607-S614 PolarHBondContact O-N 3.48Å; H607-S614 PolarHBondContact O-OG 3.21Å
608D42.9Very low41.8Very low81 Ų8193.5 Ų93.543%0.43345%0.447SS..EExtended strand (participates in β ladder)trans-75.8103.8178.1-64.7-13.2000109.4H606 R613H606-D608 IonicContact CD2-OD1 2.62Å; D608-R613 VanDerWaalsContact OD1-CG 3.25Å; D608-R613 WeakPolarHBondContact OD1-CG 3.43Å; D608-R613 IonicContact OD1-CZ 3.17Å; D608-R613 IonicContact OD1-NE 2.74Å; D608-R613 IonicContact OD1-NH1 2.71Å; D608-R613 PolarHBondContact OD1-NH1 2.66Å; D608-R613 IonicContact OD2-CZ 3.22Å; D608-R613 IonicContact OD2-NH1 3.39Å; D608-R613 PolarHBondContact OD2-NH1 3.12Å
609L48.3Very low41.7Very low87 Ų8794.7 Ų94.746%0.45546%0.455SS..EExtended strand (participates in β ladder)trans-88.9159.2172.1-69173.8000109.6H607 Y611 G612H607-L609 PolarHBondContact O-N 3.29Å; L609-Y611 PolarHBondContact O-N 3.39Å; L609-G612 PolarHBondContact N-O 3.02Å; L609-G612 PolarHBondContact O-N 3.28Å
610P47.2Very low41.7Very low120 Ų12099.9 Ų99.978%0.77948%0.475SS*.THydrogen-bonded Turntrans-60.3-12178.922.6-34.1000115
611Y45Very low42Very low228 Ų228101.5 Ų101.589%0.89448%0.481SS*.THydrogen-bonded Turntrans-110.212.3175-57.6-73.8000113.6L609L609-Y611 PolarHBondContact O-N 3.39Å
612G42.3Very low42.1Very low41 Ų41104.6 Ų104.642%0.42350%0.504SS..EExtended strand (participates in β ladder)trans129.7173.3173.100000114.8L609 S614L609-G612 PolarHBondContact N-O 3.02Å; L609-G612 PolarHBondContact O-N 3.28Å; G612-S614 PolarHBondContact O-N 3.22Å
613R39.1Very low42.3Very low140 Ų140102.5 Ų102.553%0.52849%0.488SS..EExtended strand (participates in β ladder)trans-69.6115.4177.9-51.3-161.1-179.1-94.15.3110.8D608 Y615D608-R613 VanDerWaalsContact OD1-CG 3.25Å; D608-R613 WeakPolarHBondContact OD1-CG 3.43Å; D608-R613 IonicContact OD1-CZ 3.17Å; D608-R613 IonicContact OD1-NE 2.74Å; D608-R613 IonicContact OD1-NH1 2.71Å; D608-R613 PolarHBondContact OD1-NH1 2.66Å; D608-R613 IonicContact OD2-CZ 3.22Å; D608-R613 IonicContact OD2-NH1 3.39Å; D608-R613 PolarHBondContact OD2-NH1 3.12Å; R613-Y615 HydrophobicContact CB-CD2 4.18Å; R613-Y615 HydrophobicContact CB-CE2 3.63Å
614S40.2Very low42.7Very low40 Ų40107.1 Ų107.128%0.2851%0.507SS..EExtended strand (participates in β ladder)trans-87.4111169.163.20000109.4H606 H607 G612H606-S614 CarbonylContact C-O 3.57Å; H606-S614 VanDerWaalsContact CA-O 3.31Å; H606-S614 WeakPolarHBondContact CA-O 3.32Å; H607-S614 PolarHBondContact N-O 2.91Å; H607-S614 PolarHBondContact O-N 3.48Å; H607-S614 PolarHBondContact O-OG 3.21Å; G612-S614 PolarHBondContact O-N 3.22Å
615Y41.1Very low43.4Very low155 Ų155108.8 Ų108.861%0.60851%0.513SS*.EExtended strand (participates in β ladder)trans-95.2139.1176.2-64.4-93.4000110Y605 H606 R613Y605-Y615 WeakPolarHBondContact O-CA 3.38Å; H606-Y615 HydrophobicContact CB-CD1 4.11Å; H606-Y615 HydrophobicContact CB-CE1 4.29Å; R613-Y615 HydrophobicContact CB-CD2 4.18Å; R613-Y615 HydrophobicContact CB-CE2 3.63Å
616W43.8Very low43.5Very low125 Ų125108.5 Ų108.547%0.47352%0.515SS..  trans-79.6145.2162.4-69.674.1000108.9K584 Y605 C618K584-W616 VanDerWaalsContact CE-NE1 3.32Å; K584-W616 VanDerWaalsContact NZ-CE2 3.32Å; Y605-W616 HydrophobicContact CD1-CB 4.42Å; Y605-W616 PolarHBondContact O-N 3.34Å; W616-C618 PolarHBondContact O-N 3.02Å
617M40.6Very low43.6Very low130 Ų130107.5 Ų107.564%0.6452%0.517SS*.SBendtrans-70.192.9-158.2-62.5-169.3-56.800113.4Y578Y578-M617 HydrophobicContact CE2-CE 4.29Å; Y578-M617 WeakPolarHBondContact OH-CB 3.47Å; Y578-M617 PolarHBondContact OH-O 3.33Å
618C42.8Very low43.8Very low27 Ų27102.1 Ų102.118%0.18249%0.493CS..SBendtrans-125.2-20168.4-158.30000115.3W616 H634W616-C618 PolarHBondContact O-N 3.02Å; C618-H634 HydrophobicContact CB-CB 3.73Å; C618-H634 VanDerWaalsContact CB-CG 3.42Å; C618-H634 WeakPolarHBondContact CB-ND1 3.47Å; C618-H634 VanDerWaalsContact SG-CB 3.54Å; C618-H634 VanDerWaalsContact SG-CG 3.53Å; C618-H634 PolarHBondContact SG-ND1 2.76Å
619C40.7Very low43.8Very low35 Ų35100 Ų10024%0.23648%0.484CS..  trans-134.5126.7167.4-55.20000107.9D623 C629 H634C619-D623 HydrophobicContact CB-CB 4.43Å; C619-C629 WeakPolarHBondContact CB-SG 3.41Å; C619-C629 WeakPolarHBondContact SG-CB 3.15Å; C619-C629 CovalentContact SG-SG 2.05Å; C619-C629 PolarHBondContact SG-SG 2.05Å; C619-H634 VanDerWaalsContact SG-CE1 3.57Å
620R41.7Very low43.6Very low193 Ų193104.2 Ų104.273%0.72849%0.494SS*.  trans-69.4161.5160.2-64.7178.7171.2172.7-0.8106.8T622 D623R620-T622 PolarHBondContact O-N 3.35Å; R620-D623 VanDerWaalsContact CB-OD2 3.31Å; R620-D623 WeakPolarHBondContact CB-OD2 3.36Å; R620-D623 PolarHBondContact N-OD2 3.33Å; R620-D623 PolarHBondContact O-N 2.86Å
621R42.4Very low43.4Very low232 Ų232103.7 Ų103.788%0.87549%0.489SS*.THydrogen-bonded Turntrans-59.3-16.4-170.3-77.9-174.6177.6174.90.4114.5K624R621-K624 WeakPolarHBondContact O-CE 3.48Å
622T44.3Very low43.3Very low117 Ų11795 Ų9572%0.71847%0.469SS*.THydrogen-bonded Turntrans-74.2-30.4173.140.70000114R620R620-T622 PolarHBondContact O-N 3.35Å
623D45.3Very low43.2Very low49 Ų4998.7 Ų98.726%0.26248%0.478SS..  trans-105.720.2-159.5-31.6-43.3000112.7C619 R620 D625 T626C619-D623 HydrophobicContact CB-CB 4.43Å; R620-D623 VanDerWaalsContact CB-OD2 3.31Å; R620-D623 WeakPolarHBondContact CB-OD2 3.36Å; R620-D623 PolarHBondContact N-OD2 3.33Å; R620-D623 PolarHBondContact O-N 2.86Å; D623-D625 PolarHBondContact O-N 3Å; D623-D625 VanDerWaalsContact O-N 3.09Å; D623-T626 HydrophobicContact CB-CG2 4.22Å; D623-T626 WeakPolarHBondContact O-CB 3.11Å; D623-T626 WeakPolarHBondContact O-CG2 3.38Å; D623-T626 PolarHBondContact O-N 3.3Å; D623-T626 VanDerWaalsContact O-N 3.13Å; D623-T626 PolarHBondContact O-OG1 3.13Å
624K50.2Low43.4Very low130 Ų13093.2 Ų93.257%0.56546%0.458SS*.THydrogen-bonded Turntrans-61.6-18.9-172.4-66.9177.3-178.81760114.7R621 C629R621-K624 WeakPolarHBondContact O-CE 3.48Å; K624-C629 VanDerWaalsContact O-CB 3.32Å; K624-C629 WeakPolarHBondContact O-CB 3.1Å
625D51.4Low43.5Very low104 Ų10493.3 Ų93.356%0.55646%0.456SS*.THydrogen-bonded Turntrans-94.2-2-177.5-71.3-74.6000113.4D623 R630D623-D625 PolarHBondContact O-N 3Å; D623-D625 VanDerWaalsContact O-N 3.09Å; D625-R630 PolarHBondContact O-NE 3.46Å; D625-R630 IonicContact OD1-CZ 3.2Å; D625-R630 IonicContact OD1-NE 2.71Å; D625-R630 PolarHBondContact OD1-NE 2.94Å; D625-R630 IonicContact OD1-NH2 2.83Å; D625-R630 PolarHBondContact OD1-NH2 2.7Å
626T43.9Very low43.5Very low33 Ų3387.4 Ų87.420%0.20244%0.435CS..SBendtrans-57.7134.8168.853.80000110.1D623 G628 C629 R630D623-T626 HydrophobicContact CB-CG2 4.22Å; D623-T626 WeakPolarHBondContact O-CB 3.11Å; D623-T626 WeakPolarHBondContact O-CG2 3.38Å; D623-T626 PolarHBondContact O-N 3.3Å; D623-T626 VanDerWaalsContact O-N 3.13Å; D623-T626 PolarHBondContact O-OG1 3.13Å; T626-G628 VanDerWaalsContact C-N 3.31Å; T626-G628 PolarHBondContact O-N 3.09Å; T626-G628 VanDerWaalsContact O-N 3.16Å; T626-C629 WeakPolarHBondContact O-CA 3.07Å; T626-C629 WeakPolarHBondContact O-CB 3.44Å; T626-C629 PolarHBondContact O-N 3.04Å; T626-R630 PolarHBondContact O-N 3.09Å
627P40.4Very low43.4Very low74 Ų7485.1 Ų85.148%0.48143%0.432SS..Hα-helixtrans-60.2-33.3-167.31.1-10.6000114.9C629 R630 V631 W638P627-C629 VanDerWaalsContact C-N 3.28Å; P627-C629 PolarHBondContact O-N 3.46Å; P627-R630 PolarHBondContact O-N 3.34Å; P627-V631 PolarHBondContact O-N 3.39Å; P627-V631 VanDerWaalsContact O-N 3.09Å; P627-W638 HydrophobicContact CB-CE3 4.17Å; P627-W638 HydrophobicContact CB-CZ3 3.8Å; P627-W638 HydrophobicContact CG-CE3 3.89Å; P627-W638 HydrophobicContact CG-CZ3 3.76Å
628G45.3Very low43.4Very low4 Ų483.9 Ų83.94%0.04142%0.42CS..Hα-helixtrans-59.7-34.9171.300000113.7T626 R630 G632 L633T626-G628 VanDerWaalsContact C-N 3.31Å; T626-G628 PolarHBondContact O-N 3.09Å; T626-G628 VanDerWaalsContact O-N 3.16Å; G628-R630 VanDerWaalsContact C-N 3.31Å; G628-R630 PolarHBondContact O-N 3.38Å; G628-G632 PolarHBondContact O-N 2.92Å; G628-L633 WeakPolarHBondContact CA-O 3.31Å
629C44.7Very low43.2Very low36 Ų3686.8 Ų86.824%0.24344%0.437CS..Hα-helixtrans-66.4-29.7173.3-1280000112.9C619 K624 T626 P627 H634C619-C629 WeakPolarHBondContact CB-SG 3.41Å; C619-C629 WeakPolarHBondContact SG-CB 3.15Å; C619-C629 CovalentContact SG-SG 2.05Å; C619-C629 PolarHBondContact SG-SG 2.05Å; K624-C629 VanDerWaalsContact O-CB 3.32Å; K624-C629 WeakPolarHBondContact O-CB 3.1Å; T626-C629 WeakPolarHBondContact O-CA 3.07Å; T626-C629 WeakPolarHBondContact O-CB 3.44Å; T626-C629 PolarHBondContact O-N 3.04Å; P627-C629 VanDerWaalsContact C-N 3.28Å; P627-C629 PolarHBondContact O-N 3.46Å; C629-H634 VanDerWaalsContact CA-CE1 3.44Å; C629-H634 WeakPolarHBondContact CA-CE1 3.32Å
630R43.6Very low43.1Very low175 Ų17592.2 Ų92.266%0.6646%0.459SS*.Hα-helixtrans-81.7-33.2178.9-66.7179.3169.9179.5-1.9113.2D625 T626 P627 G628D625-R630 PolarHBondContact O-NE 3.46Å; D625-R630 IonicContact OD1-CZ 3.2Å; D625-R630 IonicContact OD1-NE 2.71Å; D625-R630 PolarHBondContact OD1-NE 2.94Å; D625-R630 IonicContact OD1-NH2 2.83Å; D625-R630 PolarHBondContact OD1-NH2 2.7Å; T626-R630 PolarHBondContact O-N 3.09Å; P627-R630 PolarHBondContact O-N 3.34Å; G628-R630 VanDerWaalsContact C-N 3.31Å; G628-R630 PolarHBondContact O-N 3.38Å
631V41.9Very low42.8Very low110 Ų11090.1 Ų90.167%0.66746%0.457SS*.Hα-helixtrans-87-19.2178.4-1770000112.1P627 L633P627-V631 PolarHBondContact O-N 3.39Å; P627-V631 VanDerWaalsContact O-N 3.09Å; V631-L633 HydrophobicContact CG1-CB 4.36Å; V631-L633 HydrophobicContact CG1-CD1 4.16Å; V631-L633 PolarHBondContact O-N 3.16Å
632G43.2Very low42.3Very low46 Ų4683.7 Ų83.747%0.47445%0.446SS..SBendtrans76.7-1.4-174.200000113.9G628 H634G628-G632 PolarHBondContact O-N 2.92Å; G632-H634 PolarHBondContact O-N 3.25Å
633L40.1Very low42.1Very low118 Ų11884 Ų8462%0.61846%0.459SS*.  trans-79.693.3165.2-98.275000108.8G628 V631 D635G628-L633 WeakPolarHBondContact CA-O 3.31Å; V631-L633 HydrophobicContact CG1-CB 4.36Å; V631-L633 HydrophobicContact CG1-CD1 4.16Å; V631-L633 PolarHBondContact O-N 3.16Å; L633-D635 PolarHBondContact O-N 2.7Å
634H44.1Very low41.8Very low25 Ų2587.7 Ų87.712%0.11648%0.479CS..  trans-87.989173.1-76.7-44.4000110.8Y605 C618 C619 C629 G632Y605-H634 HydrophobicContact CD2-CB 3.68Å; Y605-H634 HydrophobicContact CE2-CB 3.67Å; Y605-H634 HydrophobicContact CG-CB 4.15Å; Y605-H634 PolarHBondContact OH-O 3.3Å; C618-H634 HydrophobicContact CB-CB 3.73Å; C618-H634 VanDerWaalsContact CB-CG 3.42Å; C618-H634 WeakPolarHBondContact CB-ND1 3.47Å; C618-H634 VanDerWaalsContact SG-CB 3.54Å; C618-H634 VanDerWaalsContact SG-CG 3.53Å; C618-H634 PolarHBondContact SG-ND1 2.76Å; C619-H634 VanDerWaalsContact SG-CE1 3.57Å; C629-H634 VanDerWaalsContact CA-CE1 3.44Å; C629-H634 WeakPolarHBondContact CA-CE1 3.32Å; G632-H634 PolarHBondContact O-N 3.25Å
635D41.4Very low41.5Very low42 Ų4285.2 Ų85.223%0.22549%0.491CS..  trans-88.9133.5162.2-108-33000109.3R571 L633 N637R571-D635 HydrophobicContact CB-CB 3.86Å; L633-D635 PolarHBondContact O-N 2.7Å; D635-N637 PolarHBondContact O-N 3.06Å
636N41.5Very low41.1Very low31 Ų3184.2 Ų84.217%0.16649%0.492CS..THydrogen-bonded Turntrans-73.78.8-162.3-56.6-75.3000115.6R571 N573 Y578R571-N636 CarbonylContact O-C 3.49Å; R571-N636 VanDerWaalsContact O-CA 3.27Å; R571-N636 WeakPolarHBondContact O-CA 3.18Å; R571-N636 WeakPolarHBondContact O-CB 3.16Å; R571-N636 PolarHBondContact O-N 3.32Å; N573-N636 HydrophobicContact CB-CB 3.66Å; Y578-N636 WeakPolarHBondContact CD1-OD1 3.45Å; Y578-N636 VanDerWaalsContact CE1-OD1 3.28Å; Y578-N636 WeakPolarHBondContact CE1-OD1 3.36Å
637N41.8Very low40.7Very low76 Ų7689.8 Ų89.841%0.40652%0.516SS..THydrogen-bonded Turntrans-142.949-179.9-147.93.7000112.9R571 D635R571-N637 HydrophobicContact CB-CB 3.81Å; R571-N637 HydrophobicContact CG-CB 4.35Å; R571-N637 PolarHBondContact NH1-O 3.37Å; R571-N637 VanDerWaalsContact NH1-O 3.09Å; R571-N637 PolarHBondContact O-N 3.39Å; D635-N637 PolarHBondContact O-N 3.06Å
638W41Very low40.6Very low104 Ų10488.8 Ų88.839%0.39451%0.509SS..  trans-94.1-2.6165.4-79.871.3000113.4R571 P627R571-W638 VanDerWaalsContact CD-CD1 3.44Å; R571-W638 VanDerWaalsContact CD-NE1 3.32Å; P627-W638 HydrophobicContact CB-CE3 4.17Å; P627-W638 HydrophobicContact CB-CZ3 3.8Å; P627-W638 HydrophobicContact CG-CE3 3.89Å; P627-W638 HydrophobicContact CG-CZ3 3.76Å
639V37.5Very low40.6Very low89 Ų8995.8 Ų95.854%0.53954%0.544SS..  trans-100.965.9172.6-168.70000108.9
640Q39.9Very low40.5Very low149 Ų149101.9 Ų101.970%0.69656%0.562SS**PPolyproline II helixtrans-69.5158.3165.9-81.1-175.9-27.800110.2
641Q34.8Very low40.3Very low148 Ų14896.9 Ų96.969%0.69255%0.551SS**PPolyproline II helixtrans-65.5152.4-174.1-68.5158.8-49.500111.6
642P32.8Very low40.1Very low98 Ų9899.2 Ų99.264%0.63655%0.552SS**PPolyproline II helixtrans-58.3143161.228.7-34.4000109D644P642-D644 PolarHBondContact O-N 2.9Å
643A39.9Very low40Very low122 Ų122106.4 Ų106.4100%1.00857%0.565SS**SBendtrans-73.824-174.800000114.6
644D39.2Very low40.2Very low127 Ų127106.6 Ų106.668%0.67956%0.563SS**SBendtrans-122.2129.9179.7-171.14.2000108.9P642 S646P642-D644 PolarHBondContact O-N 2.9Å; D644-S646 PolarHBondContact O-N 2.9Å; D644-S646 PolarHBondContact O-OG 3.13Å
645G42.3Very low40.1Very low78 Ų78111.5 Ų111.580%0.80459%0.586SS**  trans-67.617.1-154.300000117.4Q647G645-Q647 PolarHBondContact O-N 2.87Å
646S42.8Very low40.3Very low83 Ų83118.1 Ų118.158%0.5861%0.607SS**PPolyproline II helixtrans-60.5123.3174.362.60000112.3D644D644-S646 PolarHBondContact O-N 2.9Å; D644-S646 PolarHBondContact O-OG 3.13Å
647Q36.9Very low40.4Very low150 Ų150125.2 Ų125.270%0.70163%0.632SS**PPolyproline II helixtrans-56136.8176.1-75.5-72.2-24.300111.1G645 I649G645-Q647 PolarHBondContact O-N 2.87Å; Q647-I649 PolarHBondContact O-N 2.9Å
648P38.4Very low40.7Very low53 Ų53128.3 Ų128.334%0.34464%0.644SS.*PPolyproline II helixtrans-62.8130.2-174.425.5-34.1000111R650 T651P648-R650 PolarHBondContact O-N 3.06Å; P648-T651 PolarHBondContact O-N 2.9Å; P648-T651 PolarHBondContact O-OG1 3.21Å
649I43.8Very low40.7Very low151 Ų151130.7 Ų130.777%0.77466%0.66SS**THydrogen-bonded Turntrans-52.1-13.8-176.8-63.2167000113.9Q647 R653Q647-I649 PolarHBondContact O-N 2.9Å; I649-R653 PolarHBondContact O-N 3.41Å
650R43.5Very low41Very low165 Ų165130.2 Ų130.262%0.62367%0.665SS**THydrogen-bonded Turntrans-63.1-49.2173.2-147.1169.3178.6170.3-6.3112D575 P648 R653 E654D575-R650 IonicContact OD2-NH2 3.41Å; D575-R650 PolarHBondContact OD2-NH2 2.75Å; P648-R650 PolarHBondContact O-N 3.06Å; R650-R653 PolarHBondContact O-N 2.87Å; R650-E654 PolarHBondContact O-N 3.21Å; R650-E654 VanDerWaalsContact O-N 3.09Å
651T40.4Very low41.2Very low70 Ų70135.6 Ų135.643%0.42968%0.679SS.*Hα-helixtrans-62.5-51.6-177.651.20000111.5P648 R653 E654 E655P648-T651 PolarHBondContact O-N 2.9Å; P648-T651 PolarHBondContact O-OG1 3.21Å; T651-R653 PolarHBondContact O-N 2.87Å; T651-E654 WeakPolarHBondContact O-CB 3.4Å; T651-E654 PolarHBondContact O-N 3.27Å; T651-E655 WeakPolarHBondContact O-CB 3.42Å; T651-E655 PolarHBondContact O-N 3.24Å
652K36.3Very low41.5Very low158 Ų158135 Ų13569%0.68768%0.678SS**Hα-helixtrans-63.3-7.8179.2-156167.5-169.1168.30114.9
653R41.6Very low42Very low198 Ų198136.9 Ų136.975%0.74768%0.68SS**Hα-helixtrans-105-24.2172.9-174.8170.4-178.9163.63113.1I649 R650 T651 R657I649-R653 PolarHBondContact O-N 3.41Å; R650-R653 PolarHBondContact O-N 2.87Å; T651-R653 PolarHBondContact O-N 2.87Å; R653-R657 WeakPolarHBondContact O-CB 3.48Å; R653-R657 PolarHBondContact O-N 2.95Å
654E44.6Very low42.1Very low121 Ų121137.7 Ų137.757%0.56566%0.662SS**Hα-helixtrans-75.2-48172.5-155.7120.8-119.700109.6R650 T651 R656 R657 E658R650-E654 PolarHBondContact O-N 3.21Å; R650-E654 VanDerWaalsContact O-N 3.09Å; T651-E654 WeakPolarHBondContact O-CB 3.4Å; T651-E654 PolarHBondContact O-N 3.27Å; E654-R656 PolarHBondContact O-N 2.9Å; E654-R657 CarbonylContact O-C 3.57Å; E654-R657 WeakPolarHBondContact O-CA 3.48Å; E654-R657 WeakPolarHBondContact O-CB 3.31Å; E654-R657 PolarHBondContact O-N 3.29Å; E654-E658 PolarHBondContact O-N 2.74Å
655E41.9Very low42.3Very low129 Ų129138.4 Ų138.460%0.60366%0.661SS**Hα-helixtrans-47.7-56.4169.5-179.2179.9-134.500111.7T651 R657 E658 E659T651-E655 WeakPolarHBondContact O-CB 3.42Å; T651-E655 PolarHBondContact O-N 3.24Å; E655-R657 PolarHBondContact O-N 3.01Å; E655-E658 PolarHBondContact O-N 2.71Å; E655-E659 WeakPolarHBondContact O-CB 3.43Å; E655-E659 PolarHBondContact O-N 3.44Å
656R45.9Very low42.3Very low180 Ų180142.1 Ų142.168%0.67965%0.652SS**Hα-helixtrans-61.5-13.6175.3179.3170.8-72-133.7-4.6114.6E654 A660E654-R656 PolarHBondContact O-N 2.9Å; R656-A660 WeakPolarHBondContact O-CB 3.25Å
657R43.8Very low42.2Very low181 Ų181146.1 Ų146.168%0.68366%0.657SS**Hα-helixtrans-98.6-20.8177.8-161.7-178.9-170.5-164.51.7112.5R653 E654 E655R653-R657 WeakPolarHBondContact O-CB 3.48Å; R653-R657 PolarHBondContact O-N 2.95Å; E654-R657 CarbonylContact O-C 3.57Å; E654-R657 WeakPolarHBondContact O-CA 3.48Å; E654-R657 WeakPolarHBondContact O-CB 3.31Å; E654-R657 PolarHBondContact O-N 3.29Å; E655-R657 PolarHBondContact O-N 3.01Å
658E46.5Very low42.6Very low141 Ų141145.8 Ų145.866%0.65965%0.654SS**Hα-helixtrans-84.5-38.1169.5-165136.5-122.200110.6E654 E655 A660 R661E654-E658 PolarHBondContact O-N 2.74Å; E655-E658 PolarHBondContact O-N 2.71Å; E658-A660 PolarHBondContact O-N 3.31Å; E658-A660 VanDerWaalsContact O-N 3.09Å; E658-R661 PolarHBondContact O-N 3.22Å
659E41Very low42.9Very low154 Ų154152.9 Ų152.972%0.7268%0.677SS**THydrogen-bonded Turntrans-61.2-10.7166.2-168.3-176.1-149.800113.4E655E655-E659 WeakPolarHBondContact O-CB 3.43Å; E655-E659 PolarHBondContact O-N 3.44Å
660A44.9Very low42.9Very low79 Ų79153.1 Ų153.165%0.65367%0.669SS**THydrogen-bonded Turntrans-116.129-179.900000113.1R656 E658R656-A660 WeakPolarHBondContact O-CB 3.25Å; E658-A660 PolarHBondContact O-N 3.31Å; E658-A660 VanDerWaalsContact O-N 3.09Å
661R43.9Very low42.8Very low261 Ų261152 Ų15299%0.98567%0.674SS**  trans-126.80175.3-84.9177.5158.9176.7-6.7111.7E658E658-R661 PolarHBondContact O-N 3.22Å

Retrieved 661 of 661 residues in 160 ms (Link to these results)