A0A5K4FCL6_SCHMA Loading...

Pre-mRNA 3'-end-processing factor FIP1

AlphaFold DB , UniProt , Accession A0A5K4FCL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 581 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
1M47.6Very low46.4Very low224 Ų224153.1 Ų153.1100%1.10384%0.836SS**  0890-66.6-169.1-179.200110.8
2D44Very low45.7Very low140 Ų140152.3 Ų152.375%0.74983%0.831SS**  cis-170.8148.4-35.5-84-35000106.8
3S45.7Very low45.7Very low108 Ų108149.9 Ų149.976%0.75582%0.823SS**  trans65.6125.2170.6-48.20000116.5
4E45.5Very low45.7Very low171 Ų171148 Ų14880%0.79981%0.812SS**  54.2130.468.4-61.4-165.1144.100112.3
5V48Very low45.2Very low135 Ų135147.9 Ų147.982%0.81881%0.809SS**  -149.8141.353167.50000114.4
6I50.2Low45.4Very low144 Ų144145.1 Ų145.174%0.73881%0.812SS**  trans-10.2150.3156.5-65.2172.1000120.8
7P49.8Very low45.3Very low105 Ų105142.8 Ų142.868%0.68280%0.803SS**  trans-100.8-177.2-173.942.3-37.6000115.2
8N48.6Very low45Very low168 Ų168140.9 Ų140.990%0.89880%0.801SS**  trans-146.4130.8160.5-81.2-50.1000111.1
9D41.8Very low45.3Very low168 Ų168139.8 Ų139.890%0.89880%0.8SS**  trans-99.5123.4171.7-84.6-51.6000110.8
10E44.4Very low44.9Very low197 Ų197139.2 Ų139.292%0.92180%0.799SS**  trans-151.9113.3162.9-111.6-166.715700110.2
11C45.2Very low45.1Very low124 Ų124139.3 Ų139.384%0.83880%0.801SS**  trans-153.9110.9155.4520000112.6
12N37.2Very low44.6Very low144 Ų144135.2 Ų135.277%0.7778%0.784SS**  trans-87.1129.1171.9168.120.8000109.9
13V46.7Very low44.8Very low121 Ų121134.3 Ų134.373%0.73379%0.788SS**  trans-139.288.7173.5-165.10000113.1
14N45.5Very low44.4Very low123 Ų123136.4 Ų136.466%0.65879%0.791SS**  39.6106.7127.9-55.6-41000120.9
15N37.9Very low44.1Very low146 Ų146135.8 Ų135.878%0.78179%0.792SS**  44.1117113.4-162.622.7000120.3
16A48.3Very low43.9Very low103 Ų103134.5 Ų134.585%0.85179%0.785SS**  trans-144.1147.3159.800000111.1
17T44.5Very low43.4Very low107 Ų107135.4 Ų135.466%0.65679%0.791SS**  trans-130.6123.7-151.6-66.10000114.1
18S39.2Very low42.9Very low109 Ų109134 Ų13476%0.76280%0.795SS**  trans61.9174.8150.9-61.60000118.2
19P51Low42.8Very low120 Ų120135.6 Ų135.678%0.77980%0.798SS**  cis-130.3169.42.441.1-24.3000117.8
20T37.2Very low42.9Very low127 Ų127131.4 Ų131.478%0.77979%0.794SS**  trans-72.5149.3171.8-41.80000113.1
21V49.2Very low43.1Very low141 Ų141130.5 Ų130.586%0.85579%0.792SS**  trans-145.4123156.5-109.40000111.1
22D36.2Very low43.1Very low139 Ų139133.7 Ų133.774%0.74380%0.795SS**  trans-81.2149168.6-104.7-49.5000110.8
23S49.7Very low43.3Very low120 Ų120132.9 Ų132.984%0.83980%0.795SS**  trans-160.6100.6159.5-78.20000111.9
24N36.2Very low43.2Very low153 Ų153135.6 Ų135.682%0.81880%0.8SS**  trans-75.4174.9155.7-90.4-75.8000110.3
25L40.4Very low43.4Very low157 Ų157135 Ų13582%0.82281%0.806SS**  trans100.997.4155.8-133.666.9000118.4
26V43Very low43.8Very low109 Ų109134.4 Ų134.466%0.66181%0.807SS**  88.4132.7117.41620000122.8
27N38.6Very low43.8Very low162 Ų162136.1 Ų136.187%0.86680%0.802SS**  trans71139.2158.1-67.2-11.4000121.2
28G40.4Very low43.7Very low75 Ų75135.2 Ų135.277%0.77381%0.805SS**  trans160.148.4170.400000118.1
29E45.4Very low44.2Very low202 Ų202134.6 Ų134.694%0.94480%0.8SS**  trans20.4129.1149.6-58176.9-17900121.6
30G45.6Very low43.8Very low80 Ų80137.3 Ų137.383%0.82580%0.8SS**  trans-169.775.1170.600000113.9
31M47.7Very low44.3Very low179 Ų179137.8 Ų137.888%0.88280%0.803SS**  trans-76.4132.2177.3-66.6-173.317900112.4
32Q44.5Very low43.8Very low191 Ų191139 Ų13989%0.89380%0.799SS**  trans-138.5126.3150.6-67.3-171.35.800109.1
33T42.1Very low44.3Very low127 Ų127139.7 Ų139.778%0.77980%0.797SS**  trans-126.9111.8-173.951.10000110
34E45.5Very low44.1Very low178 Ų178141.8 Ų141.883%0.83280%0.799SS**  trans-134115.1175.4-67.5-165.6-17200113.4
35S49.6Very low44.7Very low111 Ų111141.1 Ų141.178%0.77680%0.795SS**  trans44.9102.6149.9570000121.8
36V45.5Very low45.1Very low133 Ų133139.3 Ų139.381%0.80680%0.796SS**  trans-22.2133.9142.5-1690000117.1A38V36-A38 HydrophobicContact CG1-CB 4.08Å
37D47.8Very low45Very low139 Ų139140.4 Ų140.474%0.74381%0.807SS**  trans-132.1129.4138.5-179.111000108.6S39D37-S39 WeakPolarHBondContact OD1-CB 3.45Å; D37-S39 PolarHBondContact OD1-OG 3.21Å
38A43.9Very low45.5Very low87 Ų87137 Ų13772%0.71980%0.796SS**  trans-127.572.5-170.600000110.8V36V36-A38 HydrophobicContact CG1-CB 4.08Å
39S48Very low46Very low96 Ų96140.7 Ų140.767%0.67179%0.791SS**  trans-13748.1-166.2-58.80000115.5D37D37-S39 WeakPolarHBondContact OD1-CB 3.45Å; D37-S39 PolarHBondContact OD1-OG 3.21Å
40K43.6Very low46.6Very low177 Ų177137.3 Ų137.377%0.7778%0.778SS**  trans-152.677159-153.1138.4-163.7-67.20115.1E43K40-E43 IonicContact NZ-OE2 2.94Å; K40-E43 PolarHBondContact NZ-OE2 3.09Å
41V47.2Very low47.3Very low138 Ų138139.6 Ų139.684%0.83677%0.767SS**  trans-83.3148.1160.2-119.80000110.2
42H39.1Very low48Very low167 Ų167138 Ų13877%0.77376%0.758SS**  trans81.267.7150.5-137.742000120.5
43E47.6Very low49Very low153 Ų153134.7 Ų134.772%0.71574%0.742SS**  trans-146.679.7153.8-71.5-174.5129.700110.6K40K40-E43 IonicContact NZ-OE2 2.94Å; K40-E43 PolarHBondContact NZ-OE2 3.09Å
44N45.2Very low50.3Low163 Ų163137.1 Ų137.187%0.87274%0.737SS**  trans-161.345.2177.2-96.7-34.7000114
45D49.1Very low51.4Low139 Ų139132.8 Ų132.874%0.74372%0.72SS**  trans-135.518.5-178.3-96.6-41000114.7
46S47Very low52.4Low119 Ų119130.3 Ų130.383%0.83271%0.706SS**  trans-11612.9-173.3-53.80000115.6
47C41.3Very low53.6Low132 Ų132128.5 Ų128.589%0.89270%0.695SS**  trans-117.662-177.1-146.80000112.7
48S49.9Very low54.4Low91 Ų91126.1 Ų126.164%0.63668%0.681SS**SBendtrans-135.2-20.6170.959.10000114
49F50.3Low55.5Low153 Ų153125 Ų12567%0.67167%0.672SS**Hα-helixtrans-77.3-38.1-172.3-168.2-106.1000114.2E51 E52F49-E51 VanDerWaalsContact C-N 3.31Å; F49-E51 PolarHBondContact O-N 2.66Å; F49-E52 PolarHBondContact O-N 3.26Å
50I58.6Low56.3Low130 Ų130123.4 Ų123.467%0.66766%0.664SS**Hα-helixtrans-69.1-28.7-173.6-59.1177.5000112.3R54I50-R54 PolarHBondContact O-N 3.42Å
51E60.4Low57.2Low128 Ų128117.7 Ų117.760%0.59865%0.65SS**Hα-helixtrans-81.8-23.7-175.1-149.9167.8-141.800112.8F49 N55F49-E51 VanDerWaalsContact C-N 3.31Å; F49-E51 PolarHBondContact O-N 2.66Å; E51-N55 PolarHBondContact O-N 3.01Å; E51-N55 PolarHBondContact O-ND2 3.38Å
52E63.1Low57.9Low147 Ų147116.3 Ų116.369%0.68764%0.642SS**Hα-helixtrans-76.1-41.2173.5-166.6166.4-170.500111.3F49 N55 A56F49-E52 PolarHBondContact O-N 3.26Å; E52-N55 PolarHBondContact O-N 3.04Å; E52-A56 PolarHBondContact O-N 2.87Å
53E65.5Low58.8Low121 Ų121111.9 Ų111.957%0.56563%0.634SS**Hα-helixtrans-62.6-44.1176.1-170.4173.1-16900112N55 A56 V57E53-N55 VanDerWaalsContact C-N 3.32Å; E53-N55 PolarHBondContact O-N 3.4Å; E53-A56 PolarHBondContact O-N 3.37Å; E53-V57 WeakPolarHBondContact O-CG2 3.33Å; E53-V57 PolarHBondContact O-N 3.33Å
54R68.5Low59.4Low177 Ų177111.6 Ų111.667%0.66864%0.638SS**Hα-helixtrans-58.5-42.2175-177.9179.9174-173.9-1.3112.4I50 V57 I58I50-R54 PolarHBondContact O-N 3.42Å; R54-V57 PolarHBondContact O-N 3.26Å; R54-I58 HydrophobicContact CG-CD1 4.2Å; R54-I58 WeakPolarHBondContact O-CG1 3.4Å; R54-I58 PolarHBondContact O-N 3.47Å
55N69.2Low60Low88 Ų88112.7 Ų112.747%0.47164%0.635SS.*Hα-helixtrans-71.2-33.3179.1-72.8-34.3000112.2E51 E52 E53 I58 A59E51-N55 PolarHBondContact O-N 3.01Å; E51-N55 PolarHBondContact O-ND2 3.38Å; E52-N55 PolarHBondContact O-N 3.04Å; E53-N55 VanDerWaalsContact C-N 3.32Å; E53-N55 PolarHBondContact O-N 3.4Å; N55-I58 PolarHBondContact O-N 3.48Å; N55-A59 WeakPolarHBondContact O-CB 3.44Å; N55-A59 PolarHBondContact O-N 3.31Å
56A70Confident60.6Low59 Ų59113.5 Ų113.549%0.48864%0.639SS.*Hα-helixtrans-65.8-40.3173.500000112.4E52 E53 A59 A60E52-A56 PolarHBondContact O-N 2.87Å; E53-A56 PolarHBondContact O-N 3.37Å; A56-A59 PolarHBondContact O-N 2.9Å; A56-A60 WeakPolarHBondContact O-CB 3.47Å; A56-A60 PolarHBondContact O-N 3.29Å
57V69.6Low61.1Low95 Ų95111.7 Ų111.758%0.57663%0.632SS**Hα-helixtrans-64.2-42.5175.5173.10000111.6E53 R54 A60 A61E53-V57 WeakPolarHBondContact O-CG2 3.33Å; E53-V57 PolarHBondContact O-N 3.33Å; R54-V57 PolarHBondContact O-N 3.26Å; V57-A60 PolarHBondContact O-N 3.38Å; V57-A61 PolarHBondContact O-N 3.25Å
58I65.7Low62Low88 Ų88112.8 Ų112.845%0.45163%0.629SS.*Hα-helixtrans-64.4-42.7175.7-65.2165.3000110.8R54 N55 A60 A61 V62R54-I58 HydrophobicContact CG-CD1 4.2Å; R54-I58 WeakPolarHBondContact O-CG1 3.4Å; R54-I58 PolarHBondContact O-N 3.47Å; N55-I58 PolarHBondContact O-N 3.48Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.3Å; I58-A61 PolarHBondContact O-N 3.39Å; I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 3.27Å
59A66.6Low62.2Low64 Ų64115.3 Ų115.353%0.52964%0.635SS.*Hα-helixtrans-66-32.8177.500000113.2N55 A56 A63N55-A59 WeakPolarHBondContact O-CB 3.44Å; N55-A59 PolarHBondContact O-N 3.31Å; A56-A59 PolarHBondContact O-N 2.9Å; A59-A63 PolarHBondContact O-N 3.49Å
60A65Low62.5Low62 Ų62117.3 Ų117.351%0.51265%0.647SS.*Hα-helixtrans-69.6-43.7173.700000111.8A56 V57 I58 V62 A63A56-A60 WeakPolarHBondContact O-CB 3.47Å; A56-A60 PolarHBondContact O-N 3.29Å; V57-A60 PolarHBondContact O-N 3.38Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.3Å; A60-V62 PolarHBondContact O-N 3.16Å; A60-A63 PolarHBondContact O-N 3.44Å; A60-A63 VanDerWaalsContact O-N 3.09Å
61A62Low62.3Low57 Ų57116.2 Ų116.247%0.47165%0.649SS.*Hα-helixtrans-63.5-27.2178.200000113.6V57 I58 F65V57-A61 PolarHBondContact O-N 3.25Å; I58-A61 PolarHBondContact O-N 3.39Å; A61-F65 WeakPolarHBondContact O-CD2 3.41Å; A61-F65 VanDerWaalsContact O-CE2 3.28Å; A61-F65 WeakPolarHBondContact O-CE2 3.44Å
62V61.8Low62.1Low110 Ų110118.4 Ų118.467%0.66766%0.659SS**Hα-helixtrans-84.4-16.6176.2176.50000112.5I58 A60I58-V62 WeakPolarHBondContact O-CG2 3.45Å; I58-V62 PolarHBondContact O-N 3.27Å; A60-V62 PolarHBondContact O-N 3.16Å
63A59.3Low61.4Low74 Ų74120.4 Ų120.461%0.61267%0.668SS**Hα-helixtrans-90.4-10.8-17900000114.4A59 A60A59-A63 PolarHBondContact O-N 3.49Å; A60-A63 PolarHBondContact O-N 3.44Å; A60-A63 VanDerWaalsContact O-N 3.09Å
64D60.1Low61Low146 Ų146121.6 Ų121.678%0.78168%0.679SS**THydrogen-bonded Turntrans-92.14.5-175.1-138.132.9000113.3
65F57.7Low60.3Low186 Ų186120.3 Ų120.382%0.81669%0.685SS**THydrogen-bonded Turntrans-106.311.1-177.1-75.6-77.4000114.4A61A61-F65 WeakPolarHBondContact O-CD2 3.41Å; A61-F65 VanDerWaalsContact O-CE2 3.28Å; A61-F65 WeakPolarHBondContact O-CE2 3.44Å
66D60.9Low59.9Low157 Ų157119.2 Ų119.284%0.8469%0.694SS**SBendtrans-124.631.8-169-151.822.1000112.4
67A58.5Low59.5Low81 Ų81124.2 Ų124.267%0.66971%0.713SS**SBendtrans-150.5139176.700000111.5
68D60.2Low59.3Low155 Ų155126.4 Ų126.483%0.82972%0.721SS**  trans58113-176.2-57.8-28.3000113.8
69D52.9Low59.5Low144 Ų144129.4 Ų129.477%0.7774%0.738SS**  -144.612965.2-89.8-41.2000113.7
70Q56.9Low59.6Low195 Ų195131 Ų13191%0.91174%0.742SS**  trans-100.3101.7147.6-71.5-174.432.800107.1
71C54.1Low59.8Low106 Ų106134.1 Ų134.172%0.71675%0.754SS**  trans-117.9110172.756.80000110.5
72E56.4Low59.9Low175 Ų175137.6 Ų137.682%0.81877%0.765SS**  trans-43.4140.4176.5-62.7-77.6166.900114.8N74E72-N74 PolarHBondContact O-N 3.45Å
73E48.5Very low60.3Low188 Ų188138.2 Ų138.288%0.87977%0.768SS**  trans-41.8119.3157.4-178.7174.3-126.300113.1
74N56.8Low60.7Low146 Ų146140.8 Ų140.878%0.78177%0.771SS**  trans-158.4146154.2-166.447.6000112.7E72E72-N74 PolarHBondContact O-N 3.45Å
75D54.3Low61.1Low151 Ų151140.9 Ų140.981%0.80777%0.77SS**  trans-77.4164.4-171.1-52.2-71.4000115.1
76G60.2Low61.4Low64 Ų64140.3 Ų140.366%0.6677%0.767SS**  trans154.5108.5154.200000117.3
77D62.8Low60.9Low164 Ų164138.9 Ų138.988%0.87777%0.766SS**  trans69.893.9148-52.4-23.6000120
78D64.4Low60.4Low141 Ų141140.8 Ų140.875%0.75477%0.774SS**  trans-92.192.5168.5-177.3-11.1000111T80D78-T80 PolarHBondContact O-N 3.5Å; D78-T80 PolarHBondContact OD1-N 3.28Å; D78-T80 PolarHBondContact OD1-OG1 3.43Å
79D70.1Confident59.9Low151 Ų151138.1 Ų138.181%0.80777%0.768SS**  trans-74.968.9173.8-90.8-30000111.9V81D79-V81 PolarHBondContact O-N 3.31Å
80T68.9Low59.9Low98 Ų98140.3 Ų140.360%0.60177%0.771SS**  trans-67.5102.2173.1-74.90000111.5D78 N82D78-T80 PolarHBondContact O-N 3.5Å; D78-T80 PolarHBondContact OD1-N 3.28Å; D78-T80 PolarHBondContact OD1-OG1 3.43Å; T80-N82 PolarHBondContact O-N 3.3Å
81V69.3Low59.4Low127 Ų127137.9 Ų137.977%0.7777%0.77SS**  trans-76.995.5179.4-82.80000113.6D79 V83D79-V81 PolarHBondContact O-N 3.31Å; V81-V83 PolarHBondContact O-N 2.88Å
82N64.3Low58.9Low131 Ų131135.1 Ų135.170%0.70176%0.759SS**  trans-74.8100.9170.9-80.36.9000112.5T80 I84T80-N82 PolarHBondContact O-N 3.3Å; N82-I84 HydrophobicContact CB-CG1 4.49Å; N82-I84 PolarHBondContact O-N 3.22Å; N82-I84 VanDerWaalsContact O-N 3.12Å
83V68.9Low58.1Low122 Ų122135 Ų13574%0.73976%0.762SS**  trans-76.695.4173.2-177.80000110.8V81 I85V81-V83 PolarHBondContact O-N 2.88Å; V83-I85 HydrophobicContact CG1-CG1 4.13Å
84I68.8Low57.9Low128 Ų128135.9 Ų135.966%0.65676%0.759SS**  trans-97.898.3176.4-55.4175.6000110.3N82 K86N82-I84 HydrophobicContact CB-CG1 4.49Å; N82-I84 PolarHBondContact O-N 3.22Å; N82-I84 VanDerWaalsContact O-N 3.12Å; I84-K86 HydrophobicContact CG2-CG 4.17Å; I84-K86 PolarHBondContact O-N 3.29Å
85I68.8Low57.4Low148 Ų148137.6 Ų137.676%0.75976%0.759SS**  trans-80.798.4173-54.5178.7000109.3V83V83-I85 HydrophobicContact CG1-CG1 4.13Å
86K62.2Low56.7Low174 Ų174137.5 Ų137.576%0.75777%0.765SS**  trans-80124.4169.6-68.2179.4-179.3172.70109.9I84 S88I84-K86 HydrophobicContact CG2-CG 4.17Å; I84-K86 PolarHBondContact O-N 3.29Å; K86-S88 PolarHBondContact O-N 3.16Å
87P51.5Low55.7Low128 Ų128137.5 Ų137.583%0.83177%0.765SS**  trans-74.399.4173.129.6-32.2000109.9S89P87-S89 PolarHBondContact O-N 3.49Å
88S47.6Very low54.6Low120 Ų120135.1 Ų135.184%0.83976%0.756SS**  trans-67.7130.6172-170.40000110.3K86K86-S88 PolarHBondContact O-N 3.16Å
89S50.6Low53.3Low99 Ų99132.3 Ų132.369%0.69275%0.752SS**  trans-75.1163.6-179.466.60000113P87P87-S89 PolarHBondContact O-N 3.49Å
90K51.9Low52Low190 Ų190136.6 Ų136.683%0.82676%0.759SS**SBendtrans76.6109.9166.3-86.3176.3173.6175.20119.2
91T47.9Very low50.6Low145 Ų145140.7 Ų140.789%0.8977%0.771SS**  trans82.2108.1144.5-12.40000117.3
92G43.3Very low49.5Very low48 Ų48138.9 Ų138.950%0.49577%0.769SS.*  trans158.171.3174.100000114Y94G92-Y94 PolarHBondContact O-N 2.88Å
93I38Very low48.2Very low173 Ų173144 Ų14489%0.88778%0.779SS**  trans-56102.9-175.3-56.7161.9000112.6
94Y46.2Very low47.1Very low205 Ų205143.5 Ų143.580%0.80478%0.781SS**  trans-134.1129.4151.5-4.2-80.1000109.5G92 T96G92-Y94 PolarHBondContact O-N 2.88Å; Y94-T96 PolarHBondContact O-N 3.1Å; Y94-T96 VanDerWaalsContact O-N 3.12Å
95K44.9Very low46.2Very low182 Ų182142.9 Ų142.979%0.79178%0.782SS**  trans-69.4104.6-177.1-78.6178.7169.7-178.60111.7G97K95-G97 PolarHBondContact O-N 3.08Å
96T40.6Very low44.6Very low150 Ų150140.3 Ų140.392%0.9278%0.783SS**SBendtrans-74.1104152.652.20000108.4Y94Y94-T96 PolarHBondContact O-N 3.1Å; Y94-T96 VanDerWaalsContact O-N 3.12Å
97G37.9Very low43.7Very low64 Ų64140.3 Ų140.366%0.6679%0.786SS**SBendtrans119.772.5178.100000114.3K95K95-G97 PolarHBondContact O-N 3.08Å
98T40.4Very low42.9Very low114 Ų114140.6 Ų140.670%0.69979%0.785SS**SBendtrans-175.3129.2140.312.10000110.5
99A36.5Very low42.8Very low81 Ų81141 Ų14167%0.66978%0.783SS**  trans41.299.1159.600000120Q101A99-Q101 HydrophobicContact CB-CG 4.33Å; A99-Q101 PolarHBondContact O-N 3.3Å
100Y43.8Very low42.2Very low241 Ų241145.1 Ų145.195%0.94579%0.791SS**  trans-70.599.4144.4-75.5-77.8000108.8A102Y100-A102 VanDerWaalsContact C-N 3.33Å; Y100-A102 PolarHBondContact O-N 3.24Å; Y100-A102 VanDerWaalsContact O-N 3.1Å
101Q40.2Very low41.9Very low184 Ų184144.6 Ų144.686%0.8679%0.791SS**  trans-78.884.1167-72.2-146.935.500110.2A99A99-Q101 HydrophobicContact CB-CG 4.33Å; A99-Q101 PolarHBondContact O-N 3.3Å
102A44.7Very low41.7Very low89 Ų89146.8 Ų146.874%0.73679%0.791SS**  trans-76.3119.9160.700000108.4Y100 S104Y100-A102 VanDerWaalsContact C-N 3.33Å; Y100-A102 PolarHBondContact O-N 3.24Å; Y100-A102 VanDerWaalsContact O-N 3.1Å; A102-S104 PolarHBondContact O-N 3.3Å
103R37.3Very low41.3Very low240 Ų240154.7 Ų154.791%0.90681%0.812SS**  trans-76.978.2-170.3-167.8179.2-169.1-139.83.3112.2V105R103-V105 PolarHBondContact O-N 2.78Å
104S45.8Very low41.6Very low110 Ų110151.9 Ų151.977%0.76980%0.803SS**  trans-75.3108.4167.655.70000110A102A102-S104 PolarHBondContact O-N 3.3Å
105V50.6Low41.4Very low115 Ų115145.8 Ų145.870%0.69780%0.795SS**  trans-57.1137.4168.3-94.10000110.3R103 H107R103-V105 PolarHBondContact O-N 2.78Å; V105-H107 PolarHBondContact O-N 3.47Å
106A34.2Very low41.4Very low94 Ų94149.1 Ų149.178%0.77780%0.803SS**  trans-75.8116.6-168.400000112.3
107H44.5Very low41.8Very low175 Ų175149.5 Ų149.581%0.8179%0.794SS**  trans-119.4126.2156.4-67.4-62.6000108.8V105V105-H107 PolarHBondContact O-N 3.47Å
108T34Very low42.3Very low133 Ų133149.7 Ų149.782%0.81680%0.796SS**  trans-101.9108.2-167.3147.20000110.3
109T45.6Very low43.3Very low128 Ų128150.3 Ų150.379%0.78580%0.799SS**  trans-143.6143.6156.536.80000109.6
110Q37.4Very low44.4Very low187 Ų187152.8 Ų152.887%0.87480%0.797SS**  trans-84.9117.1-162-57.31755.300112.3
111H47Very low45.4Very low178 Ų178147.9 Ų147.982%0.82479%0.786SS**  trans-136134.7163.7-71.6-73.7000111.6
112Q43.5Very low46.7Very low191 Ų191143.7 Ų143.789%0.89377%0.77SS**  trans-74.5136.2-173.3-66.2-178.2-7.300111.7V114Q112-V114 PolarHBondContact O-N 2.87Å; Q112-V114 VanDerWaalsContact O-N 3.13Å
113K34.1Very low47.8Very low214 Ų214145 Ų14593%0.9377%0.765SS**  trans-8188.3-178.2-177-166176-166.90110.7
114V43.6Very low49.1Very low114 Ų114135.9 Ų135.969%0.69174%0.736SS**  trans-73.2140.6165.5-172.30000108.9Q112Q112-V114 PolarHBondContact O-N 2.87Å; Q112-V114 VanDerWaalsContact O-N 3.13Å
115A43.7Very low50.2Low78 Ų78132.6 Ų132.665%0.64572%0.719SS**  trans-61.7154.8175.100000110.6Q117A115-Q117 VanDerWaalsContact C-N 3.29Å; A115-Q117 PolarHBondContact O-N 3.05Å
116R43.2Very low51.5Low252 Ų252132.8 Ų132.895%0.95172%0.717SS**  trans-7187.1175.6-66.3-173.9179.6-169.4-1.3109.6
117Q48.8Very low53.2Low158 Ų158131.2 Ų131.274%0.73870%0.695SS**  trans-52.6144.8157.4-118.792.42.700108.2A115A115-Q117 VanDerWaalsContact C-N 3.29Å; A115-Q117 PolarHBondContact O-N 3.05Å
118G48.6Very low54.7Low68 Ų68130.2 Ų130.270%0.70170%0.695SS**  trans-58.5146.7168.500000109.9E120G118-E120 PolarHBondContact O-N 3.06Å; G118-E120 VanDerWaalsContact O-N 3.16Å
119V61.4Low56.6Low127 Ų127127 Ų12777%0.7769%0.688SS**  trans-71.4109.5166.9-177.60000106L121V119-L121 HydrophobicContact CB-CD1 4.22Å; V119-L121 HydrophobicContact CG1-CD1 4.1Å; V119-L121 WeakPolarHBondContact O-CD1 3.21Å; V119-L121 PolarHBondContact O-N 3.5Å
120E60.1Low57.8Low132 Ų132124.4 Ų124.462%0.61767%0.669SS**  trans-64.3109.4162.4-75.4-69.8169.100106.8G118 D122 D123G118-E120 PolarHBondContact O-N 3.06Å; G118-E120 VanDerWaalsContact O-N 3.16Å; E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 2.98Å; E120-D123 HydrophobicContact CB-CB 3.95Å
121L64.5Low59.6Low139 Ų139117.5 Ų117.573%0.72864%0.64SS**SBendtrans-73-22.3-178.6-91.868.1000112.2V119V119-L121 HydrophobicContact CB-CD1 4.22Å; V119-L121 HydrophobicContact CG1-CD1 4.1Å; V119-L121 WeakPolarHBondContact O-CD1 3.21Å; V119-L121 PolarHBondContact O-N 3.5Å
122D67.7Low60.8Low96 Ų96110.7 Ų110.751%0.51361%0.611SS.*SBendtrans-87.4-30.8-174.5-63.1-51.7000112.6E120 R178 L267E120-D122 VanDerWaalsContact C-N 3.26Å; E120-D122 PolarHBondContact O-N 2.98Å; D122-R178 PolarHBondContact O-NH1 3.26Å; D122-L267 WeakPolarHBondContact OD1-CD1 3.34Å
123D67.2Low62.2Low117 Ų117102.8 Ų102.863%0.62658%0.576SS**SBendtrans-66.4123.4177.6-105.3-9.2000110.3E120 G125E120-D123 HydrophobicContact CB-CB 3.95Å; D123-G125 PolarHBondContact O-N 3.37Å
124P64.8Low63.9Low48 Ų4897.2 Ų97.231%0.31255%0.553SS.*  trans-66.7109.9169.529.3-29.3000107.3P131 V133P124-P131 HydrophobicContact CB-CB 4.48Å; P124-V133 HydrophobicContact CB-CG2 4.45Å
125G69.5Low65.1Low40 Ų4093.7 Ų93.741%0.41253%0.528SS..  trans-49.6155.3175.600000111.6D123 P131 T132D123-G125 PolarHBondContact O-N 3.37Å; G125-P131 CarbonylContact O-C 3.54Å; G125-P131 WeakPolarHBondContact O-CA 3.38Å; G125-T132 WeakPolarHBondContact O-CB 3.28Å; G125-T132 PolarHBondContact O-N 3.5Å; G125-T132 PolarHBondContact O-OG1 3.29Å
126N77.3Confident66.2Low120 Ų12093.9 Ų93.964%0.64252%0.518SS*.EExtended strand (participates in β ladder)trans-119.1143.7-176.555.485.6000111.8I130N126-I130 CarbonylContact C-O 3.55Å; N126-I130 WeakPolarHBondContact CA-O 3.36Å
127I70.4Confident67.3Low61 Ų6182.9 Ų82.931%0.31348%0.478SS..EExtended strand (participates in β ladder)trans-119.1109.8175-59.1171.4000105.7G129 I130 T132 Y135I127-G129 PolarHBondContact O-N 3.49Å; I127-G129 VanDerWaalsContact O-N 3.16Å; I127-I130 PolarHBondContact N-O 2.94Å; I127-I130 WeakPolarHBondContact O-CB 3.48Å; I127-I130 PolarHBondContact O-N 2.97Å; I127-T132 HydrophobicContact CD1-CG2 4.16Å; I127-Y135 HydrophobicContact CB-CD2 3.91Å; I127-Y135 HydrophobicContact CB-CE2 4.39Å; I127-Y135 HydrophobicContact CB-CG 4.27Å; I127-Y135 HydrophobicContact CD1-CD1 4.16Å; I127-Y135 HydrophobicContact CD1-CD2 4.44Å; I127-Y135 HydrophobicContact CD1-CG 3.96Å; I127-Y135 HydrophobicContact CG2-CD2 3.77Å; I127-Y135 HydrophobicContact CG2-CE2 3.73Å; I127-Y135 HydrophobicContact CG2-CG 4.32Å
128N76.2Confident68Low154 Ų15479.3 Ų79.382%0.82447%0.47SS*.THydrogen-bonded Turntrans52.834.7-177.3-56.6-19.1000113.9I130N128-I130 VanDerWaalsContact C-N 3.32Å
129G73.4Confident68.8Low64 Ų6480.8 Ų80.866%0.6647%0.466SS*.THydrogen-bonded Turntrans84.3-5.4-177.400000115.5I127I127-G129 PolarHBondContact O-N 3.49Å; I127-G129 VanDerWaalsContact O-N 3.16Å
130I71.1Confident69Low75 Ų7575.7 Ų75.739%0.38543%0.434SS..EExtended strand (participates in β ladder)trans-92.4130.5172.9-53.1175.7000108.2N126 I127 N128 T132 E134 Y135N126-I130 CarbonylContact C-O 3.55Å; N126-I130 WeakPolarHBondContact CA-O 3.36Å; I127-I130 PolarHBondContact N-O 2.94Å; I127-I130 WeakPolarHBondContact O-CB 3.48Å; I127-I130 PolarHBondContact O-N 2.97Å; N128-I130 VanDerWaalsContact C-N 3.32Å; I130-T132 PolarHBondContact O-N 3.22Å; I130-E134 HydrophobicContact CG2-CB 3.97Å; I130-Y135 HydrophobicContact CB-CD2 4.4Å; I130-Y135 HydrophobicContact CD1-CD2 4.33Å
131P75.1Confident69.2Low41 Ų4171.4 Ų71.427%0.26643%0.426SS..EExtended strand (participates in β ladder)trans-55.3139.8173-23.933.3000111.3P124 G125 V133 E134 Y135P124-P131 HydrophobicContact CB-CB 4.48Å; G125-P131 CarbonylContact O-C 3.54Å; G125-P131 WeakPolarHBondContact O-CA 3.38Å; P131-V133 HydrophobicContact CB-CG2 4.05Å; P131-V133 PolarHBondContact O-N 3.13Å; P131-E134 HydrophobicContact CB-CB 4.37Å; P131-E134 HydrophobicContact CB-CG 4.19Å; P131-E134 HydrophobicContact CG-CG 4.33Å; P131-E134 CarbonylContact O-C 3.51Å; P131-E134 WeakPolarHBondContact O-CA 3.37Å; P131-E134 PolarHBondContact O-N 3.24Å; P131-Y135 PolarHBondContact O-N 3.17Å
132T72.7Confident69.4Low36 Ų3670.4 Ų70.422%0.22142%0.421CS..THydrogen-bonded Turntrans-56.5-29-178.8-620000112.5G125 I127 I130 E134 W167G125-T132 WeakPolarHBondContact O-CB 3.28Å; G125-T132 PolarHBondContact O-N 3.5Å; G125-T132 PolarHBondContact O-OG1 3.29Å; I127-T132 HydrophobicContact CD1-CG2 4.16Å; I130-T132 PolarHBondContact O-N 3.22Å; T132-E134 VanDerWaalsContact C-N 3.33Å; T132-W167 HydrophobicContact CG2-CH2 3.78Å; T132-W167 HydrophobicContact CG2-CZ2 3.66Å
133V73.2Confident69.1Low25 Ų2574 Ų7415%0.15243%0.434CS..THydrogen-bonded Turntrans-77-14.8175.2-62.70000114.1P124 P131 Q174P124-V133 HydrophobicContact CB-CG2 4.45Å; P131-V133 HydrophobicContact CB-CG2 4.05Å; P131-V133 PolarHBondContact O-N 3.13Å; V133-Q174 HydrophobicContact CB-CB 4.2Å; V133-Q174 HydrophobicContact CG1-CB 3.69Å; V133-Q174 HydrophobicContact CG1-CG 4.19Å
134E68.4Low69.2Low97 Ų9774.2 Ų74.245%0.45343%0.432SS..THydrogen-bonded Turntrans-107.9-11.5175.2-58.4-163.2144.300112.9I130 P131 T132 N136I130-E134 HydrophobicContact CG2-CB 3.97Å; P131-E134 HydrophobicContact CB-CB 4.37Å; P131-E134 HydrophobicContact CB-CG 4.19Å; P131-E134 HydrophobicContact CG-CG 4.33Å; P131-E134 CarbonylContact O-C 3.51Å; P131-E134 WeakPolarHBondContact O-CA 3.37Å; P131-E134 PolarHBondContact O-N 3.24Å; T132-E134 VanDerWaalsContact C-N 3.33Å; E134-N136 PolarHBondContact O-N 3.17Å; E134-N136 VanDerWaalsContact O-N 3.16Å
135Y69.1Low70Confident40 Ų4072.5 Ų72.516%0.15742%0.42CS..  trans-66.6111.9178.6-171.5-92.1000110.9I127 I130 P131 L137 L140I127-Y135 HydrophobicContact CB-CD2 3.91Å; I127-Y135 HydrophobicContact CB-CE2 4.39Å; I127-Y135 HydrophobicContact CB-CG 4.27Å; I127-Y135 HydrophobicContact CD1-CD1 4.16Å; I127-Y135 HydrophobicContact CD1-CD2 4.44Å; I127-Y135 HydrophobicContact CD1-CG 3.96Å; I127-Y135 HydrophobicContact CG2-CD2 3.77Å; I127-Y135 HydrophobicContact CG2-CE2 3.73Å; I127-Y135 HydrophobicContact CG2-CG 4.32Å; I130-Y135 HydrophobicContact CB-CD2 4.4Å; I130-Y135 HydrophobicContact CD1-CD2 4.33Å; P131-Y135 PolarHBondContact O-N 3.17Å; Y135-L137 HydrophobicContact CD1-CD2 4.16Å; Y135-L137 HydrophobicContact CE1-CD2 4.18Å; Y135-L137 PolarHBondContact O-N 3.41Å; Y135-L140 HydrophobicContact CE1-CD1 4.12Å; Y135-L140 HydrophobicContact CE1-CD2 4.36Å; Y135-L140 HydrophobicContact CE1-CG 4.11Å; Y135-L140 WeakPolarHBondContact OH-CD2 3.43Å
136N67.9Low70.5Confident82 Ų8272.3 Ų72.344%0.43941%0.411SS..  trans-83106-176.2-174.80.2000110.7E134 S138 T139E134-N136 PolarHBondContact O-N 3.17Å; E134-N136 VanDerWaalsContact O-N 3.16Å; N136-S138 PolarHBondContact O-N 3.01Å; N136-S138 WeakPolarHBondContact OD1-CB 3.4Å; N136-S138 PolarHBondContact OD1-N 3.09Å; N136-S138 PolarHBondContact OD1-OG 3.02Å; N136-T139 HydrophobicContact CB-CG2 4.35Å; N136-T139 PolarHBondContact O-N 3.35Å; N136-T139 PolarHBondContact O-OG1 3.35Å
137L66.3Low70.9Confident20 Ų2068.8 Ų68.811%0.10539%0.389CS..G310 helixtrans-56.9-18.1174.2-65.1-174.5000113.4Y135 T139 L140 K145 E164 W167Y135-L137 HydrophobicContact CD1-CD2 4.16Å; Y135-L137 HydrophobicContact CE1-CD2 4.18Å; Y135-L137 PolarHBondContact O-N 3.41Å; L137-T139 PolarHBondContact O-N 3.29Å; L137-L140 HydrophobicContact CD2-CD1 3.65Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 3.19Å; L137-K145 WeakPolarHBondContact O-CE 3.4Å; L137-K145 PolarHBondContact O-NZ 3.44Å; L137-E164 HydrophobicContact CD1-CG 3.88Å; L137-W167 HydrophobicContact CD1-CG 4.25Å
138S64Low71.4Confident84 Ų8470.2 Ų70.259%0.58739%0.392SS*.G310 helixtrans-71.2-13.7175.5-36.60000113.9N136N136-S138 PolarHBondContact O-N 3.01Å; N136-S138 WeakPolarHBondContact OD1-CB 3.4Å; N136-S138 PolarHBondContact OD1-N 3.09Å; N136-S138 PolarHBondContact OD1-OG 3.02Å
139T64.4Low71.7Confident99 Ų9969.6 Ų69.661%0.60738%0.379SS*.G310 helixtrans-86.7-15.7173.560.30000113.2N136 L137N136-T139 HydrophobicContact CB-CG2 4.35Å; N136-T139 PolarHBondContact O-N 3.35Å; N136-T139 PolarHBondContact O-OG1 3.35Å; L137-T139 PolarHBondContact O-N 3.29Å
140L65Low72.1Confident20 Ų2073.1 Ų73.111%0.10539%0.39CS..SBendtrans-71.3124165.2-60.4166.8000107.6Y135 L137 E144 K145Y135-L140 HydrophobicContact CE1-CD1 4.12Å; Y135-L140 HydrophobicContact CE1-CD2 4.36Å; Y135-L140 HydrophobicContact CE1-CG 4.11Å; Y135-L140 WeakPolarHBondContact OH-CD2 3.43Å; L137-L140 HydrophobicContact CD2-CD1 3.65Å; L137-L140 WeakPolarHBondContact O-CB 3.38Å; L137-L140 PolarHBondContact O-N 3.19Å; L140-E144 HydrophobicContact CB-CB 4.43Å; L140-E144 HydrophobicContact CD2-CG 3.9Å; L140-E144 WeakPolarHBondContact CD2-OE1 3.2Å; L140-E144 WeakPolarHBondContact CD2-OE2 3.45Å; L140-K145 HydrophobicContact CB-CG 4.12Å; L140-K145 VanDerWaalsContact O-CE 3.3Å; L140-K145 WeakPolarHBondContact O-CE 3.26Å
141G65.6Low72.6Confident42 Ų4273.7 Ų73.743%0.43341%0.414SS..  trans-66156.4172.900000111.3E143 E144 K145G141-E143 PolarHBondContact O-N 3.47Å; G141-E144 WeakPolarHBondContact O-CA 3.28Å; G141-E144 WeakPolarHBondContact O-CB 3.43Å; G141-E144 PolarHBondContact O-N 3.21Å; G141-K145 PolarHBondContact O-N 3.37Å
142D67.2Low73Confident118 Ų11873.4 Ų73.463%0.63142%0.415SS*.THydrogen-bonded Turntrans-59.2-24.4179.3-64.3-40.1000112.9E144 K145D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 2.97Å; D142-K145 PolarHBondContact O-N 2.93Å
143E62.5Low73.6Confident170 Ų17074.7 Ų74.779%0.79442%0.421SS*.THydrogen-bonded Turntrans-66.8-30.4172.6-60-166169.100113.4G141 R149G141-E143 PolarHBondContact O-N 3.47Å; E143-R149 PolarHBondContact O-NH2 3.35Å
144E69.4Low74Confident123 Ų12375.8 Ų75.858%0.57543%0.426SS*.THydrogen-bonded Turntrans-86.7-14.1-179.4-163174.8-171.500112.4L140 G141 D142 P146L140-E144 HydrophobicContact CB-CB 4.43Å; L140-E144 HydrophobicContact CD2-CG 3.9Å; L140-E144 WeakPolarHBondContact CD2-OE1 3.2Å; L140-E144 WeakPolarHBondContact CD2-OE2 3.45Å; G141-E144 WeakPolarHBondContact O-CA 3.28Å; G141-E144 WeakPolarHBondContact O-CB 3.43Å; G141-E144 PolarHBondContact O-N 3.21Å; D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 2.97Å; E144-P146 WeakPolarHBondContact O-CD 3.48Å
145K80.8Confident74.8Confident12 Ų1273.4 Ų73.45%0.05242%0.417CS..  trans-96.286172.6-62.1-178.2-172.5178.30110.1L137 L140 G141 D142 W147 K148 E164L137-K145 WeakPolarHBondContact O-CE 3.4Å; L137-K145 PolarHBondContact O-NZ 3.44Å; L140-K145 HydrophobicContact CB-CG 4.12Å; L140-K145 VanDerWaalsContact O-CE 3.3Å; L140-K145 WeakPolarHBondContact O-CE 3.26Å; G141-K145 PolarHBondContact O-N 3.37Å; D142-K145 PolarHBondContact O-N 2.93Å; K145-W147 HydrophobicContact CB-CD2 4.14Å; K145-W147 HydrophobicContact CB-CH2 4.34Å; K145-W147 HydrophobicContact CB-CZ2 3.86Å; K145-W147 HydrophobicContact CD-CZ2 4.01Å; K145-W147 HydrophobicContact CG-CH2 4.15Å; K145-W147 HydrophobicContact CG-CZ2 3.62Å; K145-W147 PolarHBondContact O-N 3.49Å; K145-K148 HydrophobicContact CB-CB 4.13Å; K145-K148 HydrophobicContact CB-CG 4Å; K145-K148 HydrophobicContact CD-CG 4.08Å; K145-K148 PolarHBondContact O-N 3.49Å; K145-E164 WeakPolarHBondContact CE-OE1 3.19Å; K145-E164 IonicContact NZ-OE1 2.72Å; K145-E164 PolarHBondContact NZ-OE1 3.18Å
146P80.2Confident75.7Confident35 Ų3577.3 Ų77.323%0.22744%0.441CS..G310 helixtrans-59.4-24.8-176.426.6-37.6000113.2E144 K148 R149 A152 Y157E144-P146 WeakPolarHBondContact O-CD 3.48Å; P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.36Å; P146-R149 WeakPolarHBondContact O-CB 3.37Å; P146-R149 WeakPolarHBondContact O-CG 3.23Å; P146-R149 PolarHBondContact O-N 2.97Å; P146-A152 WeakPolarHBondContact O-CB 3.36Å; P146-Y157 HydrophobicContact CB-CE1 3.95Å; P146-Y157 HydrophobicContact CG-CD1 4.21Å; P146-Y157 HydrophobicContact CG-CE1 3.51Å
147W85.2Confident76.6Confident46 Ų4678.4 Ų78.417%0.17444%0.44CS..G310 helixtrans-72-13.4173.661.788000115.7K145 I154 Y157 F158 E164K145-W147 HydrophobicContact CB-CD2 4.14Å; K145-W147 HydrophobicContact CB-CH2 4.34Å; K145-W147 HydrophobicContact CB-CZ2 3.86Å; K145-W147 HydrophobicContact CD-CZ2 4.01Å; K145-W147 HydrophobicContact CG-CH2 4.15Å; K145-W147 HydrophobicContact CG-CZ2 3.62Å; K145-W147 PolarHBondContact O-N 3.49Å; W147-I154 HydrophobicContact CB-CD1 4.17Å; W147-I154 HydrophobicContact CG-CD1 4.35Å; W147-Y157 HydrophobicContact CB-CD1 4.41Å; W147-Y157 HydrophobicContact CB-CD2 3.38Å; W147-Y157 HydrophobicContact CB-CE2 3.9Å; W147-Y157 HydrophobicContact CB-CG 3.67Å; W147-Y157 HydrophobicContact CE3-CD1 4.02Å; W147-Y157 HydrophobicContact CE3-CG 4.19Å; W147-F158 HydrophobicContact CB-CE2 4.39Å; W147-F158 AromaticContact CD1-CE2 3.87Å; W147-F158 AromaticContact CD2-CE2 3.92Å; W147-F158 HydrophobicContact CD2-CE2 3.92Å; W147-F158 HydrophobicContact CD2-CZ 4.47Å; W147-F158 AromaticContact CG-CE2 3.84Å; W147-F158 HydrophobicContact CG-CE2 3.84Å; W147-E164 PolarHBondContact NE1-OE2 3.02Å
148K82.2Confident77.5Confident91 Ų9178.6 Ų78.640%0.39644%0.44SS..G310 helixtrans-94.3-0.7174.3-68.6-69.4179.4179.80112.8K145 P146 E164 E165K145-K148 HydrophobicContact CB-CB 4.13Å; K145-K148 HydrophobicContact CB-CG 4Å; K145-K148 HydrophobicContact CD-CG 4.08Å; K145-K148 PolarHBondContact O-N 3.49Å; P146-K148 VanDerWaalsContact C-N 3.33Å; P146-K148 PolarHBondContact O-N 3.36Å; K148-E164 WeakPolarHBondContact CE-OE2 3.41Å; K148-E164 IonicContact NZ-OE2 3.67Å; K148-E165 IonicContact NZ-OE1 2.91Å; K148-E165 PolarHBondContact NZ-OE1 3.44Å
149R82Confident78.3Confident141 Ų14179.4 Ų79.453%0.53244%0.438SS..SBendtrans-70.1144.4178.5-65.7179.1-179172.72.1111.1E143 P146 G151 A152E143-R149 PolarHBondContact O-NH2 3.35Å; P146-R149 WeakPolarHBondContact O-CB 3.37Å; P146-R149 WeakPolarHBondContact O-CG 3.23Å; P146-R149 PolarHBondContact O-N 2.97Å; R149-G151 PolarHBondContact O-N 3.01Å; R149-G151 VanDerWaalsContact O-N 3.16Å; R149-A152 HydrophobicContact CB-CB 4.32Å; R149-A152 WeakPolarHBondContact O-CB 3.41Å; R149-A152 PolarHBondContact O-N 2.96Å
150P81.7Confident79.2Confident138 Ų13879.7 Ų79.790%0.89643%0.429SS*.THydrogen-bonded Turntrans-62.1120.2178.925.7-34.1000110.6
151G82.6Confident79.8Confident87 Ų8781.6 Ų81.690%0.89745%0.453SS*.THydrogen-bonded Turntrans883.5-176.800000115.4R149R149-G151 PolarHBondContact O-N 3.01Å; R149-G151 VanDerWaalsContact O-N 3.16Å
152A83.7Confident80.5Confident35 Ų3582.3 Ų82.329%0.28944%0.444SS..  trans-7313816500000110.2P146 R149 Y157P146-A152 WeakPolarHBondContact O-CB 3.36Å; R149-A152 HydrophobicContact CB-CB 4.32Å; R149-A152 WeakPolarHBondContact O-CB 3.41Å; R149-A152 PolarHBondContact O-N 2.96Å; A152-Y157 HydrophobicContact CB-CE2 4.49Å
153D84.9Confident81.4Confident64 Ų6478.4 Ų78.434%0.34243%0.425SS..  trans-83.4130.6169.3-165.6-32.4000108.7T155 D156 Y157D153-T155 PolarHBondContact O-N 2.96Å; D153-T155 WeakPolarHBondContact OD1-CB 3.41Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.27Å; D153-T155 PolarHBondContact OD1-N 3.36Å; D153-T155 PolarHBondContact OD1-OG1 2.96Å; D153-T155 PolarHBondContact OD2-OG1 3.41Å; D153-D156 PolarHBondContact O-N 3.46Å; D153-Y157 WeakPolarHBondContact O-CD2 3.46Å
154I81.7Confident82.5Confident48 Ų4870.9 Ų70.925%0.24639%0.389CS..G310 helixtrans-61.8-28.2175-168.164.5000111.1W147 D156 Y157 F158 T163W147-I154 HydrophobicContact CB-CD1 4.17Å; W147-I154 HydrophobicContact CG-CD1 4.35Å; I154-D156 VanDerWaalsContact C-N 3.32Å; I154-D156 PolarHBondContact O-N 3.11Å; I154-Y157 PolarHBondContact O-N 3.48Å; I154-Y157 VanDerWaalsContact O-N 3.17Å; I154-F158 HydrophobicContact CD1-CD2 3.42Å; I154-F158 VanDerWaalsContact CD1-CD2 3.42Å; I154-F158 HydrophobicContact CD1-CE2 3.65Å; I154-F158 HydrophobicContact CD1-CG 4.34Å; I154-F158 HydrophobicContact CG1-CD2 3.9Å; I154-F158 HydrophobicContact CG1-CG 4.45Å; I154-F158 PolarHBondContact O-N 3.35Å; I154-T163 HydrophobicContact CG1-CG2 4.5Å
155T85.3Confident83.2Confident46 Ų4669.4 Ų69.428%0.28238%0.382SS..G310 helixtrans-75.2-17.2-176.470.40000114.4D153 Y157 F158 F294D153-T155 PolarHBondContact O-N 2.96Å; D153-T155 WeakPolarHBondContact OD1-CB 3.41Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.27Å; D153-T155 PolarHBondContact OD1-N 3.36Å; D153-T155 PolarHBondContact OD1-OG1 2.96Å; D153-T155 PolarHBondContact OD2-OG1 3.41Å; T155-Y157 PolarHBondContact O-N 3.23Å; T155-F158 WeakPolarHBondContact CA-O 3.43Å; T155-F294 VanDerWaalsContact CB-CZ 3.47Å; T155-F294 HydrophobicContact CG2-CE1 3.74Å; T155-F294 HydrophobicContact CG2-CE2 4.28Å; T155-F294 HydrophobicContact CG2-CZ 3.59Å
156D87.4Confident83.3Confident123 Ų12370.3 Ų70.366%0.65839%0.389SS*.G310 helixtrans-66.5-19169.2-73.7-30.3000112.2D153 I154D153-D156 PolarHBondContact O-N 3.46Å; I154-D156 VanDerWaalsContact C-N 3.32Å; I154-D156 PolarHBondContact O-N 3.11Å
157Y86.6Confident83.5Confident105 Ų10571.9 Ų71.941%0.41239%0.39SS..THydrogen-bonded Turntrans-119.9-31.1-173.9-56.5-85.7000113.1P146 W147 A152 D153 I154 T155P146-Y157 HydrophobicContact CB-CE1 3.95Å; P146-Y157 HydrophobicContact CG-CD1 4.21Å; P146-Y157 HydrophobicContact CG-CE1 3.51Å; W147-Y157 HydrophobicContact CB-CD1 4.41Å; W147-Y157 HydrophobicContact CB-CD2 3.38Å; W147-Y157 HydrophobicContact CB-CE2 3.9Å; W147-Y157 HydrophobicContact CB-CG 3.67Å; W147-Y157 HydrophobicContact CE3-CD1 4.02Å; W147-Y157 HydrophobicContact CE3-CG 4.19Å; A152-Y157 HydrophobicContact CB-CE2 4.49Å; D153-Y157 WeakPolarHBondContact O-CD2 3.46Å; I154-Y157 PolarHBondContact O-N 3.48Å; I154-Y157 VanDerWaalsContact O-N 3.17Å; T155-Y157 PolarHBondContact O-N 3.23Å
158F84.3Confident83.4Confident23 Ų2373.1 Ų73.110%0.10140%0.4CS..  trans-124.1124.8-177.9-61.7-103.3000111.5W147 I154 T155 F162 E164W147-F158 HydrophobicContact CB-CE2 4.39Å; W147-F158 AromaticContact CD1-CE2 3.87Å; W147-F158 AromaticContact CD2-CE2 3.92Å; W147-F158 HydrophobicContact CD2-CE2 3.92Å; W147-F158 HydrophobicContact CD2-CZ 4.47Å; W147-F158 AromaticContact CG-CE2 3.84Å; W147-F158 HydrophobicContact CG-CE2 3.84Å; I154-F158 HydrophobicContact CD1-CD2 3.42Å; I154-F158 VanDerWaalsContact CD1-CD2 3.42Å; I154-F158 HydrophobicContact CD1-CE2 3.65Å; I154-F158 HydrophobicContact CD1-CG 4.34Å; I154-F158 HydrophobicContact CG1-CD2 3.9Å; I154-F158 HydrophobicContact CG1-CG 4.45Å; I154-F158 PolarHBondContact O-N 3.35Å; T155-F158 WeakPolarHBondContact CA-O 3.43Å; F158-F162 HydrophobicContact CB-CB 4.33Å; F158-F162 WeakPolarHBondContact CB-O 3.49Å; F158-F162 AromaticContact CD1-CD1 3.69Å; F158-F162 HydrophobicContact CD1-CD1 3.69Å; F158-F162 HydrophobicContact CD1-CE1 4.34Å; F158-F162 HydrophobicContact CD1-CG 4.4Å; F158-F162 HydrophobicContact CE1-CD1 4.38Å; F158-E164 HydrophobicContact CE1-CB 4.45Å; F158-E164 VanDerWaalsContact CE1-N 3.31Å; F158-E164 HydrophobicContact CZ-CB 3.96Å
159N82Confident83.5Confident102 Ų10273.4 Ų73.455%0.54540%0.402SS..  trans-91.3163.6-179.4-70.9-77.7000112.1G161 F162N159-G161 VanDerWaalsContact C-N 3.29Å; N159-G161 PolarHBondContact O-N 3.28Å; N159-F162 WeakPolarHBondContact O-CB 3.35Å; N159-F162 PolarHBondContact O-N 3.29Å
160Y83.4Confident83.5Confident105 Ų10568.9 Ų68.941%0.41239%0.386SS..THydrogen-bonded Turntrans56.134.7169.2-49.3-73.2000115F162 Y277 I296Y160-F162 PolarHBondContact O-N 3.41Å; Y160-F162 VanDerWaalsContact O-N 3.16Å; Y160-Y277 WeakPolarHBondContact CB-OH 3.43Å; Y160-Y277 WeakPolarHBondContact O-CE2 3.42Å; Y160-Y277 PolarHBondContact O-OH 3.29Å; Y160-I296 WeakPolarHBondContact CE1-O 3.35Å
161G77.3Confident83.5Confident59 Ų5962.9 Ų62.961%0.60835%0.347SS*.THydrogen-bonded Turntrans68.310.2-178.400000114.6N159N159-G161 VanDerWaalsContact C-N 3.29Å; N159-G161 PolarHBondContact O-N 3.28Å
162F80.4Confident83.6Confident58 Ų5864.6 Ų64.625%0.25433%0.331SS..  trans-66.2152169.6-158.4-126.1000109.7F158 N159 Y160 T166 W167 P274F158-F162 HydrophobicContact CB-CB 4.33Å; F158-F162 WeakPolarHBondContact CB-O 3.49Å; F158-F162 AromaticContact CD1-CD1 3.69Å; F158-F162 HydrophobicContact CD1-CD1 3.69Å; F158-F162 HydrophobicContact CD1-CE1 4.34Å; F158-F162 HydrophobicContact CD1-CG 4.4Å; F158-F162 HydrophobicContact CE1-CD1 4.38Å; N159-F162 WeakPolarHBondContact O-CB 3.35Å; N159-F162 PolarHBondContact O-N 3.29Å; Y160-F162 PolarHBondContact O-N 3.41Å; Y160-F162 VanDerWaalsContact O-N 3.16Å; F162-T166 WeakPolarHBondContact CD2-OG1 3.44Å; F162-T166 VanDerWaalsContact CE2-OG1 3.3Å; F162-T166 WeakPolarHBondContact CE2-OG1 3.41Å; F162-W167 HydrophobicContact CE1-CB 3.78Å; F162-W167 HydrophobicContact CE1-CD2 4.36Å; F162-W167 AromaticContact CE1-CE3 3.71Å; F162-W167 HydrophobicContact CE1-CE3 3.71Å; F162-W167 HydrophobicContact CE1-CG 4.45Å; F162-W167 HydrophobicContact CZ-CB 3.72Å; F162-W167 HydrophobicContact CZ-CD2 4.43Å; F162-W167 AromaticContact CZ-CE3 3.77Å; F162-W167 HydrophobicContact CZ-CE3 3.77Å; F162-W167 HydrophobicContact CZ-CG 4.47Å; F162-P274 HydrophobicContact CE2-CG 3.84Å
163T86.5Confident83.4Confident36 Ų3664.7 Ų64.722%0.22133%0.325CS..  trans-146.2168.817777.30000110.9I154 E165 T166 W167I154-T163 HydrophobicContact CG1-CG2 4.5Å; T163-E165 WeakPolarHBondContact CB-OE2 3.42Å; T163-E165 PolarHBondContact O-N 3.32Å; T163-E165 PolarHBondContact OG1-N 3.18Å; T163-E165 PolarHBondContact OG1-OE2 3.05Å; T163-T166 PolarHBondContact N-OG1 3.18Å; T163-T166 PolarHBondContact O-N 2.88Å; T163-T166 VanDerWaalsContact O-N 3.12Å; T163-T166 PolarHBondContact O-OG1 2.71Å; T163-T166 PolarHBondContact OG1-N 3.46Å; T163-W167 PolarHBondContact O-N 2.94Å
164E85.7Confident83.2Confident11 Ų1161.8 Ų61.85%0.05131%0.31CS..Hα-helixtrans-52.7-40.9173.7178.1169.917800112.1L137 K145 W147 K148 F158 T166 W167 I168L137-E164 HydrophobicContact CD1-CG 3.88Å; K145-E164 WeakPolarHBondContact CE-OE1 3.19Å; K145-E164 IonicContact NZ-OE1 2.72Å; K145-E164 PolarHBondContact NZ-OE1 3.18Å; W147-E164 PolarHBondContact NE1-OE2 3.02Å; K148-E164 WeakPolarHBondContact CE-OE2 3.41Å; K148-E164 IonicContact NZ-OE2 3.67Å; F158-E164 HydrophobicContact CE1-CB 4.45Å; F158-E164 VanDerWaalsContact CE1-N 3.31Å; F158-E164 HydrophobicContact CZ-CB 3.96Å; E164-T166 PolarHBondContact O-N 3.21Å; E164-W167 PolarHBondContact O-N 2.78Å; E164-I168 HydrophobicContact CG-CD1 3.97Å; E164-I168 VanDerWaalsContact O-CG1 3.31Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å; E164-I168 PolarHBondContact O-N 3.22Å
165E83.4Confident83.2Confident92 Ų9263.5 Ų63.543%0.4332%0.315SS..Hα-helixtrans-64.8-41.4179.8-57.772.9-155.800111.4K148 T163 Q169K148-E165 IonicContact NZ-OE1 2.91Å; K148-E165 PolarHBondContact NZ-OE1 3.44Å; T163-E165 WeakPolarHBondContact CB-OE2 3.42Å; T163-E165 PolarHBondContact O-N 3.32Å; T163-E165 PolarHBondContact OG1-N 3.18Å; T163-E165 PolarHBondContact OG1-OE2 3.05Å; E165-Q169 WeakPolarHBondContact O-CG 3.36Å; E165-Q169 PolarHBondContact O-N 3.21Å
166T83.2Confident83Confident31 Ų3165 Ų6519%0.1932%0.321CS..Hα-helixtrans-72-30.2175.262.50000113.1F162 T163 E164 Y170F162-T166 WeakPolarHBondContact CD2-OG1 3.44Å; F162-T166 VanDerWaalsContact CE2-OG1 3.3Å; F162-T166 WeakPolarHBondContact CE2-OG1 3.41Å; T163-T166 PolarHBondContact N-OG1 3.18Å; T163-T166 PolarHBondContact O-N 2.88Å; T163-T166 VanDerWaalsContact O-N 3.12Å; T163-T166 PolarHBondContact O-OG1 2.71Å; T163-T166 PolarHBondContact OG1-N 3.46Å; E164-T166 PolarHBondContact O-N 3.21Å; T166-Y170 WeakPolarHBondContact O-CB 3.31Å; T166-Y170 PolarHBondContact O-N 3.46Å
167W83.4Confident82.6Confident68 Ų6860.2 Ų60.226%0.25830%0.295SS..Hα-helixtrans-67.6-42.9173.7171.6-91.8000111.7T132 L137 F162 T163 E164 Q169 Y170 C171T132-W167 HydrophobicContact CG2-CH2 3.78Å; T132-W167 HydrophobicContact CG2-CZ2 3.66Å; L137-W167 HydrophobicContact CD1-CG 4.25Å; F162-W167 HydrophobicContact CE1-CB 3.78Å; F162-W167 HydrophobicContact CE1-CD2 4.36Å; F162-W167 AromaticContact CE1-CE3 3.71Å; F162-W167 HydrophobicContact CE1-CE3 3.71Å; F162-W167 HydrophobicContact CE1-CG 4.45Å; F162-W167 HydrophobicContact CZ-CB 3.72Å; F162-W167 HydrophobicContact CZ-CD2 4.43Å; F162-W167 AromaticContact CZ-CE3 3.77Å; F162-W167 HydrophobicContact CZ-CE3 3.77Å; F162-W167 HydrophobicContact CZ-CG 4.47Å; T163-W167 PolarHBondContact O-N 2.94Å; E164-W167 PolarHBondContact O-N 2.78Å; W167-Q169 VanDerWaalsContact C-N 3.33Å; W167-Q169 PolarHBondContact O-N 2.86Å; W167-Y170 HydrophobicContact CE3-CD1 4.33Å; W167-Y170 HydrophobicContact CZ3-CD1 4.32Å; W167-Y170 WeakPolarHBondContact O-CB 3.39Å; W167-Y170 PolarHBondContact O-N 2.95Å; W167-Y170 VanDerWaalsContact O-N 3.13Å; W167-C171 PolarHBondContact O-N 3.17Å
168I84.7Confident82.1Confident72 Ų7259 Ų5937%0.36929%0.29SS..Hα-helixtrans-59.5-46176.3-68162.8000110.4E164 Y170 C171 E172E164-I168 HydrophobicContact CG-CD1 3.97Å; E164-I168 VanDerWaalsContact O-CG1 3.31Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å; E164-I168 PolarHBondContact O-N 3.22Å; I168-Y170 VanDerWaalsContact C-N 3.32Å; I168-Y170 PolarHBondContact O-N 2.87Å; I168-C171 PolarHBondContact O-N 3.37Å; I168-E172 PolarHBondContact O-N 3.49Å
169Q83.3Confident81.7Confident97 Ų9762.7 Ų62.745%0.45331%0.307SS..Hα-helixtrans-61.6-38.1174.6-69.3173.94.200112.7E165 W167 K173E165-Q169 WeakPolarHBondContact O-CG 3.36Å; E165-Q169 PolarHBondContact O-N 3.21Å; W167-Q169 VanDerWaalsContact C-N 3.33Å; W167-Q169 PolarHBondContact O-N 2.86Å; Q169-K173 WeakPolarHBondContact O-CB 3.5Å; Q169-K173 PolarHBondContact O-N 3.48Å
170Y81.1Confident81.4Confident47 Ų4763 Ų6318%0.18431%0.306CS..Hα-helixtrans-64.5-47.2174.8177.9-103.1000111.6T166 W167 I168 E172 K173 Q174 F270 Q272T166-Y170 WeakPolarHBondContact O-CB 3.31Å; T166-Y170 PolarHBondContact O-N 3.46Å; W167-Y170 HydrophobicContact CE3-CD1 4.33Å; W167-Y170 HydrophobicContact CZ3-CD1 4.32Å; W167-Y170 WeakPolarHBondContact O-CB 3.39Å; W167-Y170 PolarHBondContact O-N 2.95Å; W167-Y170 VanDerWaalsContact O-N 3.13Å; I168-Y170 VanDerWaalsContact C-N 3.32Å; I168-Y170 PolarHBondContact O-N 2.87Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 3.2Å; Y170-K173 PolarHBondContact O-N 3.05Å; Y170-Q174 HydrophobicContact CD1-CG 4.04Å; Y170-Q174 HydrophobicContact CD2-CG 4.34Å; Y170-Q174 HydrophobicContact CE1-CG 3.63Å; Y170-Q174 HydrophobicContact CE2-CG 3.95Å; Y170-Q174 VanDerWaalsContact CE2-NE2 3.27Å; Y170-Q174 HydrophobicContact CG-CG 4.39Å; Y170-Q174 WeakPolarHBondContact O-CB 3.42Å; Y170-Q174 VanDerWaalsContact O-CG 3.3Å; Y170-Q174 WeakPolarHBondContact O-CG 3.23Å; Y170-Q174 PolarHBondContact O-N 2.74Å; Y170-Q174 PolarHBondContact OH-NE2 3.13Å; Y170-F270 PolarHBondContact OH-O 3.33Å; Y170-Q272 WeakPolarHBondContact CE2-O 3.4Å
171C83.7Confident80.7Confident12 Ų1263.6 Ų63.68%0.08131%0.308CS..Hα-helixtrans-60.6-41.1176.3-72.50000112.3W167 I168 Q174 K175W167-C171 PolarHBondContact O-N 3.17Å; I168-C171 PolarHBondContact O-N 3.37Å; C171-Q174 PolarHBondContact O-N 2.79Å; C171-K175 VanDerWaalsContact O-CB 3.32Å; C171-K175 WeakPolarHBondContact O-CB 3.32Å; C171-K175 PolarHBondContact O-N 2.98Å
172E83.1Confident80.3Confident122 Ų12262.9 Ų62.957%0.5730%0.296SS*.Hα-helixtrans-60.8-48.7173.5-174.5175-159.300111.8I168 Y170 Q174 K175 I176I168-E172 PolarHBondContact O-N 3.49Å; Y170-E172 VanDerWaalsContact C-N 3.34Å; Y170-E172 PolarHBondContact O-N 3.2Å; E172-Q174 PolarHBondContact O-N 3.35Å; E172-K175 PolarHBondContact O-N 3.05Å; E172-I176 HydrophobicContact CG-CD1 4.22Å; E172-I176 WeakPolarHBondContact O-CG1 3.45Å; E172-I176 PolarHBondContact O-N 2.94Å
173K80.7Confident79.5Confident37 Ų3765.1 Ų65.116%0.16131%0.311CS..Hα-helixtrans-57.1-46174.5-176-169.2176.5-163.70111.5Q169 Y170 I176 L177Q169-K173 WeakPolarHBondContact O-CB 3.5Å; Q169-K173 PolarHBondContact O-N 3.48Å; Y170-K173 PolarHBondContact O-N 3.05Å; K173-I176 PolarHBondContact O-N 3.1Å; K173-L177 HydrophobicContact CG-CD1 4.03Å; K173-L177 HydrophobicContact CG-CG 4.49Å; K173-L177 WeakPolarHBondContact O-CB 3.02Å; K173-L177 VanDerWaalsContact O-CG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.02Å; K173-L177 PolarHBondContact O-N 3.4Å
174Q80.4Confident78.3Confident3 Ų368.3 Ų68.31%0.01433%0.33CS..Hα-helixtrans-62.6-42177.9-73-58.2-45.800112.2V133 Y170 C171 E172 L177 R178 F270V133-Q174 HydrophobicContact CB-CB 4.2Å; V133-Q174 HydrophobicContact CG1-CB 3.69Å; V133-Q174 HydrophobicContact CG1-CG 4.19Å; Y170-Q174 HydrophobicContact CD1-CG 4.04Å; Y170-Q174 HydrophobicContact CD2-CG 4.34Å; Y170-Q174 HydrophobicContact CE1-CG 3.63Å; Y170-Q174 HydrophobicContact CE2-CG 3.95Å; Y170-Q174 VanDerWaalsContact CE2-NE2 3.27Å; Y170-Q174 HydrophobicContact CG-CG 4.39Å; Y170-Q174 WeakPolarHBondContact O-CB 3.42Å; Y170-Q174 VanDerWaalsContact O-CG 3.3Å; Y170-Q174 WeakPolarHBondContact O-CG 3.23Å; Y170-Q174 PolarHBondContact O-N 2.74Å; Y170-Q174 PolarHBondContact OH-NE2 3.13Å; C171-Q174 PolarHBondContact O-N 2.79Å; E172-Q174 PolarHBondContact O-N 3.35Å; Q174-L177 PolarHBondContact O-N 2.82Å; Q174-R178 WeakPolarHBondContact O-CB 3.43Å; Q174-R178 WeakPolarHBondContact O-CG 3.14Å; Q174-R178 PolarHBondContact O-N 2.94Å; Q174-F270 PolarHBondContact NE2-O 2.94Å
175K81.7Confident76.9Confident84 Ų8471.7 Ų71.737%0.36535%0.352SS..Hα-helixtrans-61.6-45177.5-172.1172.8-170.5172.10111.1C171 E172 Q179C171-K175 VanDerWaalsContact O-CB 3.32Å; C171-K175 WeakPolarHBondContact O-CB 3.32Å; C171-K175 PolarHBondContact O-N 2.98Å; E172-K175 PolarHBondContact O-N 3.05Å; K175-Q179 WeakPolarHBondContact O-CB 3.4Å; K175-Q179 VanDerWaalsContact O-CG 3.22Å; K175-Q179 WeakPolarHBondContact O-CG 3.34Å; K175-Q179 PolarHBondContact O-N 3.13Å
176I79.9Confident75.3Confident79 Ų7974 Ų7441%0.40537%0.366SS..Hα-helixtrans-61.3-53.9174.9-65.5164.9000110.5E172 K173 R178 Q179 E180E172-I176 HydrophobicContact CG-CD1 4.22Å; E172-I176 WeakPolarHBondContact O-CG1 3.45Å; E172-I176 PolarHBondContact O-N 2.94Å; K173-I176 PolarHBondContact O-N 3.1Å; I176-R178 VanDerWaalsContact C-N 3.31Å; I176-R178 PolarHBondContact O-N 2.62Å; I176-Q179 PolarHBondContact O-N 3.47Å; I176-Q179 VanDerWaalsContact O-N 3.14Å; I176-E180 HydrophobicContact CG2-CG 4.31Å; I176-E180 WeakPolarHBondContact O-CG 3.05Å; I176-E180 PolarHBondContact O-N 2.97Å
177L79.5Confident73.4Confident22 Ų2280.5 Ų80.512%0.11539%0.392CS..Hα-helixtrans-59.1-39.3-178.4-70.6172000112.8K173 Q174 Y181 Q269 F270K173-L177 HydrophobicContact CG-CD1 4.03Å; K173-L177 HydrophobicContact CG-CG 4.49Å; K173-L177 WeakPolarHBondContact O-CB 3.02Å; K173-L177 VanDerWaalsContact O-CG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.02Å; K173-L177 PolarHBondContact O-N 3.4Å; Q174-L177 PolarHBondContact O-N 2.82Å; L177-Y181 WeakPolarHBondContact O-CB 3.3Å; L177-Y181 PolarHBondContact O-N 3.13Å; L177-Q269 HydrophobicContact CD1-CG 3.92Å; L177-Q269 HydrophobicContact CD2-CG 3.77Å; L177-F270 HydrophobicContact CB-CD1 3.95Å; L177-F270 HydrophobicContact CB-CE1 3.51Å; L177-F270 HydrophobicContact CB-CZ 4.39Å; L177-F270 HydrophobicContact CD1-CD1 4.36Å
178R76.7Confident71.6Confident79 Ų7981.9 Ų81.930%0.29841%0.41SS..Hα-helixtrans-72.4-34.8178.4-71.2-177.3-179.9-1072.7111.8D122 Q174 I176 A182 F270D122-R178 PolarHBondContact O-NH1 3.26Å; Q174-R178 WeakPolarHBondContact O-CB 3.43Å; Q174-R178 WeakPolarHBondContact O-CG 3.14Å; Q174-R178 PolarHBondContact O-N 2.94Å; I176-R178 VanDerWaalsContact C-N 3.31Å; I176-R178 PolarHBondContact O-N 2.62Å; R178-A182 WeakPolarHBondContact O-CB 3.16Å; R178-A182 PolarHBondContact O-N 3.35Å; R178-F270 HydrophobicContact CB-CE1 4.47Å; R178-F270 HydrophobicContact CG-CD1 4.16Å; R178-F270 HydrophobicContact CG-CE1 3.59Å; R178-F270 HydrophobicContact CG-CZ 4.4Å
179Q75.6Confident69.7Low100 Ų10085.7 Ų85.747%0.46744%0.436SS..Hα-helixtrans-66.7-44.4171.2-73.6175.6800111.9K175 I176 Y181 A182 N183K175-Q179 WeakPolarHBondContact O-CB 3.4Å; K175-Q179 VanDerWaalsContact O-CG 3.22Å; K175-Q179 WeakPolarHBondContact O-CG 3.34Å; K175-Q179 PolarHBondContact O-N 3.13Å; I176-Q179 PolarHBondContact O-N 3.47Å; I176-Q179 VanDerWaalsContact O-N 3.14Å; Q179-Y181 VanDerWaalsContact C-N 3.33Å; Q179-Y181 PolarHBondContact O-N 3.02Å; Q179-A182 PolarHBondContact O-N 3.07Å; Q179-N183 VanDerWaalsContact O-CB 3.32Å; Q179-N183 WeakPolarHBondContact O-CB 3.31Å; Q179-N183 PolarHBondContact O-N 3.44Å; Q179-N183 PolarHBondContact O-ND2 3.48Å
180E75.2Confident67.9Low109 Ų10988.8 Ų88.851%0.50946%0.455SS..Hα-helixtrans-58.6-44.5174.1-72.8179.1167.500111.4I176 N183 T184I176-E180 HydrophobicContact CG2-CG 4.31Å; I176-E180 WeakPolarHBondContact O-CG 3.05Å; I176-E180 PolarHBondContact O-N 2.97Å; E180-N183 PolarHBondContact O-N 2.84Å; E180-T184 WeakPolarHBondContact O-CB 3.44Å; E180-T184 PolarHBondContact O-N 2.88Å; E180-T184 PolarHBondContact O-OG1 2.84Å
181Y69.4Low66Low117 Ų11792.3 Ų92.346%0.45949%0.486SS..Hα-helixtrans-63.9-46.3177.4-173-101.8000112.7L177 Q179 N183 T184 T185 L266 F270L177-Y181 WeakPolarHBondContact O-CB 3.3Å; L177-Y181 PolarHBondContact O-N 3.13Å; Q179-Y181 VanDerWaalsContact C-N 3.33Å; Q179-Y181 PolarHBondContact O-N 3.02Å; Y181-N183 VanDerWaalsContact C-N 3.32Å; Y181-N183 PolarHBondContact O-N 3.14Å; Y181-T184 PolarHBondContact O-N 3.25Å; Y181-T184 VanDerWaalsContact O-N 3.1Å; Y181-T185 HydrophobicContact CD1-CG2 4.3Å; Y181-T185 HydrophobicContact CE1-CG2 3.88Å; Y181-T185 HydrophobicContact CE2-CG2 4.18Å; Y181-T185 PolarHBondContact O-N 2.81Å; Y181-T185 PolarHBondContact O-OG1 3.09Å; Y181-T185 VanDerWaalsContact O-OG1 3.06Å; Y181-L266 HydrophobicContact CD2-CD1 4.36Å; Y181-L266 HydrophobicContact CE2-CD1 4.28Å; Y181-F270 HydrophobicContact CG-CZ 4.22Å
182A69.8Low63.9Low44 Ų4497.6 Ų97.636%0.36452%0.524SS..Hα-helixtrans-60.6-39.9175.100000112.5R178 Q179 T184 T185 L186R178-A182 WeakPolarHBondContact O-CB 3.16Å; R178-A182 PolarHBondContact O-N 3.35Å; Q179-A182 PolarHBondContact O-N 3.07Å; A182-T184 PolarHBondContact O-N 2.94Å; A182-T185 PolarHBondContact O-OG1 3.46Å; A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 3.02Å
183N63.3Low61.5Low106 Ų10695.8 Ų95.857%0.56754%0.538SS*.Hα-helixtrans-71.2-18.4176.5-70.3-30.6000113.5Q179 E180 Y181Q179-N183 VanDerWaalsContact O-CB 3.32Å; Q179-N183 WeakPolarHBondContact O-CB 3.31Å; Q179-N183 PolarHBondContact O-N 3.44Å; Q179-N183 PolarHBondContact O-ND2 3.48Å; E180-N183 PolarHBondContact O-N 2.84Å; Y181-N183 VanDerWaalsContact C-N 3.32Å; Y181-N183 PolarHBondContact O-N 3.14Å
184T60.5Low59.4Low102 Ų10297.7 Ų97.763%0.62657%0.568SS**Hα-helixtrans-91.9-37.2178.7-52.50000111.4E180 Y181 A182E180-T184 WeakPolarHBondContact O-CB 3.44Å; E180-T184 PolarHBondContact O-N 2.88Å; E180-T184 PolarHBondContact O-OG1 2.84Å; Y181-T184 PolarHBondContact O-N 3.25Å; Y181-T184 VanDerWaalsContact O-N 3.1Å; A182-T184 PolarHBondContact O-N 2.94Å
185T56.9Low57.3Low83 Ų83101.4 Ų101.451%0.50960%0.599SS.*Hα-helixtrans-75.6-20.2177.650.50000113.9Y181 A182Y181-T185 HydrophobicContact CD1-CG2 4.3Å; Y181-T185 HydrophobicContact CE1-CG2 3.88Å; Y181-T185 HydrophobicContact CE2-CG2 4.18Å; Y181-T185 PolarHBondContact O-N 2.81Å; Y181-T185 PolarHBondContact O-OG1 3.09Å; Y181-T185 VanDerWaalsContact O-OG1 3.06Å; A182-T185 PolarHBondContact O-OG1 3.46Å
186L50Low55.2Low139 Ų139105 Ų10573%0.72862%0.622SS**THydrogen-bonded Turntrans-94.714.9176-62.2-177.2000114.8A182 P188A182-L186 WeakPolarHBondContact O-CG 3.43Å; A182-L186 PolarHBondContact O-N 3.02Å; L186-P188 WeakPolarHBondContact O-CD 3.3Å
187K43.8Very low53.4Low169 Ų169108.9 Ų108.974%0.73564%0.643SS**  trans-98.992.5166.3-74.7-179.1-177.5173.70110.2
188P43.8Very low51.6Low97 Ų97116.6 Ų116.663%0.6368%0.683SS**  trans-58.9151.3168.427-34.5000110.1L186 L190L186-P188 WeakPolarHBondContact O-CD 3.3Å; P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 HydrophobicContact CG-CD1 4.47Å; P188-L190 PolarHBondContact O-N 2.87Å
189V45.5Very low49.9Very low152 Ų152122.3 Ų122.392%0.92171%0.713SS**SBendtrans-57.688.4-177.2179.80000111.5
190L44.7Very low48Very low162 Ų162128.5 Ų128.585%0.84873%0.732SS**  trans-136.147.2176.4-87.5156.6000109.5P188P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 HydrophobicContact CG-CD1 4.47Å; P188-L190 PolarHBondContact O-N 2.87Å
191S42.9Very low46.5Very low120 Ų120130.5 Ų130.584%0.83975%0.745SS**  trans-130.774.3170.8-165.20000110.3
192S39.4Very low45.2Very low124 Ų124136.1 Ų136.187%0.86777%0.765SS**SBendtrans-175.9134.6152.9-170.20000108.2
193G33Very low43.7Very low84 Ų84139.6 Ų139.687%0.86679%0.787SS**  trans-73135.3-167.400000114.7
194G35.8Very low42.5Very low77 Ų77138 Ų13879%0.79480%0.795SS**  trans-179.3118172.100000110.8
195A37Very low41.4Very low80 Ų80139.7 Ų139.766%0.66181%0.806SS**  trans-77.4139.8-168.400000114.3L197A195-L197 PolarHBondContact O-N 3.43Å
196N36.1Very low40.3Very low160 Ų160142 Ų14286%0.85682%0.819SS**  trans47.767.1138.9-57.6-22.9000118.1
197L43.3Very low39.7Very low161 Ų161140.5 Ų140.584%0.84382%0.821SS**  trans-133.183.4168.1-73.5172000111.6A195A195-L197 PolarHBondContact O-N 3.43Å
198L41Very low39.6Very low183 Ų183137.8 Ų137.896%0.95882%0.823SS**SBendtrans164.549.8144.1-87.9166.2000113.2
199Q40.5Very low39.2Very low199 Ų199141 Ų14193%0.9384%0.835SS**  trans-139.583.9156.4-165.7164.4-1.800111.1
200R37.3Very low39.1Very low230 Ų230140.1 Ų140.187%0.86883%0.83SS**  trans-149.4147.6163.3-164176.1-68.7-167.91.1109.4
201I42.6Very low38.5Very low151 Ų151143.6 Ų143.677%0.77483%0.832SS**  trans100.3129.8177-49.6153.8000112.6
202R42.3Very low38.3Very low235 Ų235143.4 Ų143.489%0.88783%0.83SS**  trans80.883.2-172.4-50.3177.1-164.5-103.7-0.9112.5
203S38.7Very low38Very low117 Ų117147.2 Ų147.282%0.81883%0.832SS**  cis85.5108.848.2-52.60000113.9
204G37.9Very low38.1Very low72 Ų72150.1 Ų150.174%0.74283%0.828SS**  trans73.3154.3172.900000114.9
205T36.3Very low38Very low138 Ų138149.7 Ų149.785%0.84782%0.823SS**  cis-162.4155-6.42.40000108.7
206V34.8Very low38.3Very low131 Ų131150 Ų15079%0.79482%0.82SS**  trans-18.3129.3167.9-76.50000118.7
207S38.1Very low38.5Very low108 Ų108152.2 Ų152.276%0.75582%0.822SS**  172.3140.6110-75.30000115.9
208S41.6Very low38.2Very low112 Ų112153.2 Ų153.278%0.78382%0.823SS**  trans37.5120.4148.162.20000123.1
209N34.7Very low38.2Very low165 Ų165148.6 Ų148.688%0.88281%0.811SS**  trans-16.7124.7146.2-76.5-21.7000117.2
210T42.7Very low38.1Very low133 Ų133144.2 Ų144.282%0.81680%0.802SS**  trans-139.8143.7130.246.20000109.5
211R33.3Very low38.3Very low236 Ų236140.6 Ų140.689%0.89180%0.798SS**  trans-83.3137175.5-64.4175.8176.6-170.8-2.8108.9
212S37.7Very low38.3Very low115 Ų115139.9 Ų139.980%0.80480%0.796SS**  trans-128.2122.5164.9-67.10000109.2
213F33.6Very low38.3Very low204 Ų204135.5 Ų135.590%0.89580%0.795SS**  trans-72.8133.6172-80.5-116.2000109.2
214D34.6Very low38.6Very low146 Ų146136.7 Ų136.778%0.78179%0.791SS**  trans-135124.1142.8-171.99.4000108.8
215G33.8Very low38.6Very low67 Ų67139.6 Ų139.669%0.69179%0.79SS**  trans-106.248.9-169.900000112.3K217G215-K217 PolarHBondContact O-N 2.78Å
216S43.1Very low38.8Very low88 Ų88140.4 Ų140.462%0.61579%0.788SS**  trans-75.2106172.353.20000110.3Q218S216-Q218 PolarHBondContact O-N 3.38Å
217K40.3Very low38.7Very low205 Ų205138.3 Ų138.389%0.89178%0.779SS**  trans-6989-179.9-64.3176.9-178.3177.10110.6G215 A219G215-K217 PolarHBondContact O-N 2.78Å; K217-A219 PolarHBondContact O-N 2.99Å; K217-A219 VanDerWaalsContact O-N 3.13Å
218Q38.5Very low38.5Very low182 Ų182136 Ų13685%0.8577%0.773SS**  trans-65.3110.7160.9-70.4-170.115.800108.3S216 S220S216-Q218 PolarHBondContact O-N 3.38Å; Q218-S220 PolarHBondContact O-N 3.4Å; Q218-S220 VanDerWaalsContact O-N 3.09Å
219A39.4Very low38.3Very low86 Ų86137.5 Ų137.571%0.71178%0.779SS**  trans-69.7105176.800000109.5K217 I221K217-A219 PolarHBondContact O-N 2.99Å; K217-A219 VanDerWaalsContact O-N 3.13Å; A219-I221 VanDerWaalsContact C-N 3.32Å; A219-I221 PolarHBondContact O-N 2.73Å
220S38.7Very low38.3Very low107 Ų107132.6 Ų132.675%0.74877%0.768SS**  trans-66.291.4166.940.90000109.4Q218 N222Q218-S220 PolarHBondContact O-N 3.4Å; Q218-S220 VanDerWaalsContact O-N 3.09Å; S220-N222 PolarHBondContact O-N 3.3Å; S220-N222 VanDerWaalsContact O-N 3.1Å
221I41.1Very low38Very low154 Ų154134.1 Ų134.179%0.7977%0.77SS**  trans-70109172.4-66.6173.4000107.7A219 V223A219-I221 VanDerWaalsContact C-N 3.32Å; A219-I221 PolarHBondContact O-N 2.73Å; I221-V223 PolarHBondContact O-N 3.12Å
222N42.8Very low38Very low136 Ų136129.4 Ų129.473%0.72776%0.763SS**  trans-56.4123.2176.7-66.4-49.4000110S220 I224S220-N222 PolarHBondContact O-N 3.3Å; S220-N222 VanDerWaalsContact O-N 3.1Å; N222-I224 PolarHBondContact O-N 2.91Å
223V42Very low38Very low143 Ų143130.4 Ų130.487%0.86776%0.764SS**  trans-64.3101.9174.2-1330000108.2I221 N225I221-V223 PolarHBondContact O-N 3.12Å; V223-N225 PolarHBondContact O-N 3.26Å; V223-N225 VanDerWaalsContact O-N 3.07Å
224I45.8Very low38Very low142 Ų142130.2 Ų130.273%0.72876%0.757SS**  trans-68.7112.1172.4-54.5-177.7000106.4N222 L226N222-I224 PolarHBondContact O-N 2.91Å; I224-L226 VanDerWaalsContact C-N 3.34Å; I224-L226 HydrophobicContact CB-CD1 3.99Å; I224-L226 HydrophobicContact CG2-CD1 3.65Å; I224-L226 WeakPolarHBondContact O-CD1 3.32Å; I224-L226 PolarHBondContact O-N 3.11Å
225N37.1Very low38Very low134 Ų134134.2 Ų134.272%0.71776%0.763SS**  trans-78.481.8-173.4-165.2-13.9000109.4V223 S227V223-N225 PolarHBondContact O-N 3.26Å; V223-N225 VanDerWaalsContact O-N 3.07Å; N225-S227 PolarHBondContact O-N 3.18Å; N225-S227 PolarHBondContact O-OG 3.12Å; N225-S227 PolarHBondContact OD1-OG 3.19Å
226L40.8Very low38.1Very low155 Ų155139.4 Ų139.481%0.81277%0.774SS**  trans-73.855.3173.8-80.789.1000111.6I224 G228I224-L226 VanDerWaalsContact C-N 3.34Å; I224-L226 HydrophobicContact CB-CD1 3.99Å; I224-L226 HydrophobicContact CG2-CD1 3.65Å; I224-L226 WeakPolarHBondContact O-CD1 3.32Å; I224-L226 PolarHBondContact O-N 3.11Å; L226-G228 PolarHBondContact O-N 3.22Å
227S32.2Very low37.5Very low87 Ų87142.4 Ų142.461%0.60878%0.783SS**  trans-76.271.6166.326.30000110.2N225N225-S227 PolarHBondContact O-N 3.18Å; N225-S227 PolarHBondContact O-OG 3.12Å; N225-S227 PolarHBondContact OD1-OG 3.19Å
228G35.8Very low37.2Very low60 Ų60136.9 Ų136.962%0.61977%0.771SS**  trans-60.5132.9168.800000111.1L226 G230L226-G228 PolarHBondContact O-N 3.22Å; G228-G230 PolarHBondContact O-N 3.35Å
229P37.1Very low37Very low142 Ų142135.6 Ų135.692%0.92277%0.768SS**SBendtrans-78.488.6-169.630.9-35.4000111.8
230G33.5Very low36.7Very low63 Ų63136.2 Ų136.265%0.64977%0.767SS**  trans-123-42.8-168.400000118.4G228G228-G230 PolarHBondContact O-N 3.35Å
231L36.1Very low36.3Very low164 Ų164136.6 Ų136.686%0.85977%0.77SS**  trans-137.487.6-166.3-67174.2000113.3T233L231-T233 PolarHBondContact O-N 2.97Å
232N35Very low36.1Very low137 Ų137134.5 Ų134.573%0.73377%0.769SS**  trans-92.285.4168.7-93-80000111.2R234N232-R234 VanDerWaalsContact C-N 3.33Å; N232-R234 PolarHBondContact O-N 3.07Å
233T37.8Very low35.9Very low136 Ų136137.5 Ų137.583%0.83478%0.776SS**  trans-88.172.6167.3-51.70000109.8L231L231-T233 PolarHBondContact O-N 2.97Å
234R33.1Very low35.5Very low200 Ų200136.8 Ų136.876%0.75578%0.777SS**  trans-135.368.6173.8-78-163.5-66.5172.5-5.1112.3N232N232-R234 VanDerWaalsContact C-N 3.33Å; N232-R234 PolarHBondContact O-N 3.07Å
235Y35.2Very low34.8Very low230 Ų230133.3 Ų133.390%0.90278%0.776SS**  trans-156.9109.8154.6-81-69.4000109.5
236L34.1Very low34.7Very low177 Ų177134.9 Ų134.993%0.92778%0.784SS**  179.7106.1121.7-95.4164.4000109.1
237N32.2Very low34.3Very low150 Ų150132 Ų13280%0.80278%0.778SS**  trans-96.6147.3167.8-17218.6000108.8
238S32.6Very low34.5Very low90 Ų90134.1 Ų134.163%0.62979%0.789SS**  trans77.3147.4162.781.70000120.9
239I34.3Very low34.6Very low155 Ų155134.1 Ų134.180%0.79578%0.78SS**  trans77.6123.1164.3-50.8161.9000116
240S32.7Very low34.6Very low99 Ų99132.2 Ų132.269%0.69276%0.761SS**  cis-159.9137.3-19.1-100.60000110.3
241S30.6Very low35Very low114 Ų114134.9 Ų134.980%0.79777%0.765SS**  trans11.5107.7152.858.60000120.9
242S38Very low35.3Very low111 Ų111131.9 Ų131.978%0.77676%0.758SS**  -170120.1126.7540000114.1
243K37.5Very low35.5Very low199 Ų199130.2 Ų130.287%0.86575%0.749SS**  trans45.1129.7149.8-66.9177.7174.7178.80120.8
244S35.2Very low35.6Very low127 Ų127132.9 Ų132.989%0.88874%0.744SS**  trans54.7121.8166.852.60000116.4
245G29.8Very low36.1Very low69 Ų69131.1 Ų131.171%0.71175%0.748SS**  cis138.96513.100000109.8
246N35.8Very low36.5Very low167 Ų167127.3 Ų127.389%0.89374%0.743SS**  trans-164.9120.9166.5-93.5-21.3000107.5
247S31Very low36.4Very low96 Ų96125.7 Ų125.767%0.67174%0.735SS**  trans-89.7136.8-172.5-67.60000112.2S249S247-S249 PolarHBondContact O-N 3.11Å
248P37.7Very low36.5Very low131 Ų131121.5 Ų121.585%0.85173%0.727SS**SBendtrans-83.462.3174.135.4-35.2000111.1
249S36.6Very low36.4Very low60 Ų60124.1 Ų124.142%0.4274%0.74SS.*  trans-100-14.1-178.743.30000114.6S247S247-S249 PolarHBondContact O-N 3.11Å
250D37Very low36.4Very low101 Ų101119.3 Ų119.354%0.5472%0.723SS.*SBendtrans-103.210.1-154.6-57.7-9.4000114.2R254D250-R254 WeakPolarHBondContact O-CG 3.48Å; D250-R254 PolarHBondContact O-NE 2.79Å
251V43.6Very low36.6Very low119 Ų119122 Ų12272%0.72173%0.729SS**SBendtrans-99.7-31.4-176.7-147.90000112.5
252S41Very low36.9Very low102 Ų102121.3 Ų121.371%0.71372%0.717SS**SBendtrans-96.6-15.3-174.7-53.60000114.7
253N39.1Very low37.1Very low101 Ų101120.4 Ų120.454%0.5471%0.711SS.*SBendtrans-98-4.7-176.1-71.8-22000114.4L255 L256 N257N253-L255 PolarHBondContact O-N 2.75Å; N253-L256 PolarHBondContact O-N 3.1Å; N253-N257 PolarHBondContact O-N 3.39Å; N253-N257 VanDerWaalsContact O-N 3.1Å
254R41.6Very low37.4Very low193 Ų193114.2 Ų114.273%0.72869%0.693SS**THydrogen-bonded Turntrans-66.4-18.1-176.6-66.9-172.9-170-163.5-0.6114.7D250D250-R254 WeakPolarHBondContact O-CG 3.48Å; D250-R254 PolarHBondContact O-NE 2.79Å
255L43.1Very low38.2Very low163 Ų163113.1 Ų113.185%0.85368%0.677SS**THydrogen-bonded Turntrans-88.7-10.2173.3-76.193.7000113.9N253N253-L255 PolarHBondContact O-N 2.75Å
256L42.1Very low39.1Very low149 Ų149114.3 Ų114.378%0.7867%0.666SS**THydrogen-bonded Turntrans-126.4-17.5-166.5-75.9163.7000115N253N253-L256 PolarHBondContact O-N 3.1Å
257N32.2Very low39.7Very low144 Ų144110 Ų11077%0.7764%0.643SS**SBendtrans-147.669177.1-161.462.2000111.6N253N253-N257 PolarHBondContact O-N 3.39Å; N253-N257 VanDerWaalsContact O-N 3.1Å
258G34.7Very low41Very low62 Ų62107.9 Ų107.964%0.63963%0.628SS**  trans-129.192.8-179.200000111.8
259T31.3Very low42.1Very low145 Ų145105.1 Ų105.189%0.8960%0.603SS**  trans-54.7138.8171.2-49.90000110.7
260A34.1Very low43.2Very low54 Ų54103.5 Ų103.545%0.44659%0.589SS.*SBendtrans86.1104.6-179.500000118N262A260-N262 PolarHBondContact O-N 3.47Å; A260-N262 PolarHBondContact O-ND2 3.49Å
261N36Very low44.6Very low154 Ų154103.2 Ų103.282%0.82459%0.587SS**  61.538126.2-49.2-4.8000119.3
262N37.6Very low45.4Very low101 Ų101101.3 Ų101.354%0.5457%0.571SS.*  trans-103.433.5-179.5-86.3-81.9000115.3A260 S264 N265A260-N262 PolarHBondContact O-N 3.47Å; A260-N262 PolarHBondContact O-ND2 3.49Å; N262-S264 PolarHBondContact O-N 3.12Å; N262-N265 PolarHBondContact O-N 3.46Å; N262-N265 PolarHBondContact OD1-ND2 3.31Å
263S41.2Very low46.3Very low91 Ų9199.7 Ų99.764%0.63656%0.558SS**Hα-helixtrans-62.8-27.3175.538.90000113.6N265 L266 L267S263-N265 PolarHBondContact O-N 3.39Å; S263-L266 PolarHBondContact O-N 3.47Å; S263-L267 PolarHBondContact O-N 3.32Å; S263-L267 VanDerWaalsContact O-N 3.12Å
264S45.2Very low47.1Very low70 Ų7095.5 Ų95.549%0.4954%0.536SS..Hα-helixtrans-59.1-42.4175.948.90000113.5N262 L266 L267 S268N262-S264 PolarHBondContact O-N 3.12Å; S264-L266 PolarHBondContact O-N 3.37Å; S264-L267 PolarHBondContact O-N 3.07Å; S264-S268 PolarHBondContact O-N 3.39Å; S264-S268 VanDerWaalsContact O-N 3.07Å; S264-S268 PolarHBondContact O-OG 2.76Å; S264-S268 VanDerWaalsContact O-OG 3.12Å
265N51.5Low47.8Very low104 Ų10491 Ų9156%0.55653%0.532SS*.Hα-helixtrans-70-31.6-177-75.1-47000112.8N262 S263 Q269N262-N265 PolarHBondContact O-N 3.46Å; N262-N265 PolarHBondContact OD1-ND2 3.31Å; S263-N265 PolarHBondContact O-N 3.39Å; N265-Q269 PolarHBondContact O-N 2.94Å
266L49.5Very low48.3Very low94 Ų9486 Ų8649%0.49252%0.52SS..Hα-helixtrans-75.5-37.3173.4-67.8174.3000111.6Y181 S263 S264 S268 Q269 F270Y181-L266 HydrophobicContact CD2-CD1 4.36Å; Y181-L266 HydrophobicContact CE2-CD1 4.28Å; S263-L266 PolarHBondContact O-N 3.47Å; S264-L266 PolarHBondContact O-N 3.37Å; L266-S268 VanDerWaalsContact C-N 3.27Å; L266-S268 PolarHBondContact O-N 3.47Å; L266-Q269 VanDerWaalsContact O-CB 3.27Å; L266-Q269 WeakPolarHBondContact O-CB 3.35Å; L266-Q269 PolarHBondContact O-N 3.07Å; L266-F270 WeakPolarHBondContact O-CD2 3.22Å; L266-F270 PolarHBondContact O-N 3.44Å
267L48Very low48.8Very low77 Ų7786.2 Ų86.240%0.40351%0.511SS..Hα-helixtrans-61.6-37.1174.7-165.961.8000111.8D122 S263 S264 Q269 F270 N271D122-L267 WeakPolarHBondContact OD1-CD1 3.34Å; S263-L267 PolarHBondContact O-N 3.32Å; S263-L267 VanDerWaalsContact O-N 3.12Å; S264-L267 PolarHBondContact O-N 3.07Å; L267-Q269 VanDerWaalsContact C-N 3.27Å; L267-Q269 PolarHBondContact O-N 3.37Å; L267-F270 PolarHBondContact O-N 2.79Å; L267-N271 PolarHBondContact O-N 3.16Å
268S58.9Low49.5Very low50 Ų5086.7 Ų86.735%0.3551%0.513SS..Hα-helixtrans-62-30.2171-57.10000113.6S264 L266 N271 Q272S264-S268 PolarHBondContact O-N 3.39Å; S264-S268 VanDerWaalsContact O-N 3.07Å; S264-S268 PolarHBondContact O-OG 2.76Å; S264-S268 VanDerWaalsContact O-OG 3.12Å; L266-S268 VanDerWaalsContact C-N 3.27Å; L266-S268 PolarHBondContact O-N 3.47Å; S268-N271 PolarHBondContact O-N 2.98Å; S268-Q272 WeakPolarHBondContact O-CG 3.4Å; S268-Q272 PolarHBondContact O-N 3.43Å
269Q60.2Low49.7Very low73 Ų7387.4 Ų87.434%0.34152%0.521SS..Hα-helixtrans-71.3-37178.2-169.675-15.300112.1L177 N265 L266 L267 N271L177-Q269 HydrophobicContact CD1-CG 3.92Å; L177-Q269 HydrophobicContact CD2-CG 3.77Å; N265-Q269 PolarHBondContact O-N 2.94Å; L266-Q269 VanDerWaalsContact O-CB 3.27Å; L266-Q269 WeakPolarHBondContact O-CB 3.35Å; L266-Q269 PolarHBondContact O-N 3.07Å; L267-Q269 VanDerWaalsContact C-N 3.27Å; L267-Q269 PolarHBondContact O-N 3.37Å; Q269-N271 VanDerWaalsContact C-N 3.33Å
270F59.8Low50.2Low26 Ų2684 Ų8411%0.11451%0.514CS..Hα-helixtrans-68-30.5175.3-66.9-67.2000112.7Y170 Q174 L177 R178 Y181 L266 L267Y170-F270 PolarHBondContact OH-O 3.33Å; Q174-F270 PolarHBondContact NE2-O 2.94Å; L177-F270 HydrophobicContact CB-CD1 3.95Å; L177-F270 HydrophobicContact CB-CE1 3.51Å; L177-F270 HydrophobicContact CB-CZ 4.39Å; L177-F270 HydrophobicContact CD1-CD1 4.36Å; R178-F270 HydrophobicContact CB-CE1 4.47Å; R178-F270 HydrophobicContact CG-CD1 4.16Å; R178-F270 HydrophobicContact CG-CE1 3.59Å; R178-F270 HydrophobicContact CG-CZ 4.4Å; Y181-F270 HydrophobicContact CG-CZ 4.22Å; L266-F270 WeakPolarHBondContact O-CD2 3.22Å; L266-F270 PolarHBondContact O-N 3.44Å; L267-F270 PolarHBondContact O-N 2.79Å
271N66.3Low50.3Low95 Ų9588 Ų8851%0.50853%0.533SS..THydrogen-bonded Turntrans-968.8-177.1-68.9-24.5000114.7L267 S268 Q269L267-N271 PolarHBondContact O-N 3.16Å; S268-N271 PolarHBondContact O-N 2.98Å; Q269-N271 VanDerWaalsContact C-N 3.33Å
272Q61.2Low50.3Low80 Ų8088.6 Ų88.637%0.37453%0.531SS..SBendtrans-79.5134.3175.4-83.9165.832.100112.4Y170 S268Y170-Q272 WeakPolarHBondContact CE2-O 3.4Å; S268-Q272 WeakPolarHBondContact O-CG 3.4Å; S268-Q272 PolarHBondContact O-N 3.43Å
273P59.1Low50.5Low68 Ų6892.9 Ų92.944%0.44255%0.548SS..PPolyproline II helixtrans-58.4158.2170.926.4-34.3000111.9
274P54.8Low50Low12 Ų1293.4 Ų93.48%0.07855%0.548CS..PPolyproline II helixtrans-63.8141.9-177.925.1-33.6000112.1F162 G276F162-P274 HydrophobicContact CE2-CG 3.84Å; P274-G276 PolarHBondContact O-N 3.14Å
275P56.4Low49.7Very low99 Ų9998.1 Ų98.164%0.64357%0.567SS**THydrogen-bonded Turntrans-62.6128.2171-17.831.1000110.3
276G54Low48.9Very low59 Ų5996.4 Ų96.461%0.60857%0.574SS**THydrogen-bonded Turntrans141.8-7.7-170.200000113.6P274 L278P274-G276 PolarHBondContact O-N 3.14Å; G276-L278 PolarHBondContact O-N 3.21Å
277Y52.4Low47.9Very low152 Ų15297.9 Ų97.960%0.59659%0.593SS**  trans-65.668.8174.4-139-87.2000112.7Y160Y160-Y277 WeakPolarHBondContact CB-OH 3.43Å; Y160-Y277 WeakPolarHBondContact O-CE2 3.42Å; Y160-Y277 PolarHBondContact O-OH 3.29Å
278L47.4Very low47.4Very low154 Ų15499.7 Ų99.781%0.80661%0.607SS**  trans-100.6128.6166.1-66.8172.3000107.1G276 G280G276-L278 PolarHBondContact O-N 3.21Å; L278-G280 PolarHBondContact O-N 3.07Å
279G40Very low46.1Very low78 Ų78105 Ų10580%0.80464%0.637SS**  trans-57.596177.300000111.4T281G279-T281 PolarHBondContact O-N 3.49Å
280G40.4Very low45.2Very low73 Ų73104.5 Ų104.575%0.75365%0.652SS**  trans-78.5116.6-17100000111.8L278 Q282L278-G280 PolarHBondContact O-N 3.07Å; G280-Q282 PolarHBondContact O-N 3.13Å
281T36.2Very low44.2Very low137 Ų137109.3 Ų109.384%0.8468%0.684SS**  trans-59.1126.6179.849.90000112.7G279G279-T281 PolarHBondContact O-N 3.49Å
282Q37Very low42.9Very low167 Ų167108.7 Ų108.778%0.7870%0.7SS**  trans8.2109.4166.7-65.1-162.285.600117.6G280 T284G280-Q282 PolarHBondContact O-N 3.13Å; Q282-T284 VanDerWaalsContact C-N 3.34Å; Q282-T284 HydrophobicContact CB-CG2 3.96Å; Q282-T284 PolarHBondContact O-N 2.95Å; Q282-T284 VanDerWaalsContact O-N 3.1Å
283Q41.5Very low42.6Very low191 Ų191109 Ų10989%0.89371%0.706SS**  trans-70.695.3146.3-81.6-171.5-8.300108.7N285Q283-N285 PolarHBondContact O-N 3.19Å; Q283-N285 VanDerWaalsContact O-N 3.13Å
284T31.1Very low42.2Very low103 Ų103110 Ų11063%0.63270%0.704SS**  trans-76.494.1170.953.60000110Q282Q282-T284 VanDerWaalsContact C-N 3.34Å; Q282-T284 HydrophobicContact CB-CG2 3.96Å; Q282-T284 PolarHBondContact O-N 2.95Å; Q282-T284 VanDerWaalsContact O-N 3.1Å
285N37.7Very low42.2Very low168 Ų168117 Ų11790%0.89874%0.741SS**  trans-157119.9161.3-96.6-28.1000110.8Q283Q283-N285 PolarHBondContact O-N 3.19Å; Q283-N285 VanDerWaalsContact O-N 3.13Å
286G34.5Very low42Very low68 Ų68117.5 Ų117.570%0.70174%0.737SS**SBendtrans86.159.5151.100000120.1T288G286-T288 PolarHBondContact O-N 3.16Å
287S28.3Very low41.9Very low126 Ų126118.6 Ų118.688%0.88173%0.734SS**  trans43.772.1139.7-175.50000119.4
288T38.2Very low41.7Very low114 Ų114113.7 Ų113.770%0.69972%0.72SS**  trans-133.5120.3155.2400000111.1G286 G290G286-T288 PolarHBondContact O-N 3.16Å; T288-G290 PolarHBondContact O-N 3.36Å
289T31.7Very low42.1Very low162 Ų162113 Ų11399%0.99473%0.725SS**  trans-76.285.4172.741.40000110
290G40.7Very low42.6Very low62 Ų62113.2 Ų113.264%0.63973%0.727SS**  trans-124.6116.3177.200000111.6T288 G292T288-G290 PolarHBondContact O-N 3.36Å; G290-G292 PolarHBondContact O-N 3.34Å
291T40.2Very low43.1Very low128 Ų128116 Ų11679%0.78572%0.719SS**  trans-39127.3179.146.90000115.4V293T291-V293 VanDerWaalsContact O-CG2 3.23Å; T291-V293 WeakPolarHBondContact O-CG2 3.2Å; T291-V293 PolarHBondContact O-N 3.37Å
292G38.9Very low43.4Very low82 Ų82112.1 Ų112.185%0.84571%0.706SS**  trans-72.2106.6-177.100000114.3G290G290-G292 PolarHBondContact O-N 3.34Å
293V53.3Low43.7Very low85 Ų85110.3 Ų110.352%0.51571%0.707SS.*  trans-118.2-8177.5-132.30000114T291 N295 I296T291-V293 VanDerWaalsContact O-CG2 3.23Å; T291-V293 WeakPolarHBondContact O-CG2 3.2Å; T291-V293 PolarHBondContact O-N 3.37Å; V293-N295 PolarHBondContact O-N 3.21Å; V293-I296 HydrophobicContact CG1-CD1 4.19Å; V293-I296 PolarHBondContact O-N 2.73Å
294F51.4Low43.5Very low91 Ų91108.6 Ų108.640%0.39970%0.703SS.*THydrogen-bonded Turntrans-65.5-13.6-169.1-72.1-80.7000116.7T155T155-F294 VanDerWaalsContact CB-CZ 3.47Å; T155-F294 HydrophobicContact CG2-CE1 3.74Å; T155-F294 HydrophobicContact CG2-CE2 4.28Å; T155-F294 HydrophobicContact CG2-CZ 3.59Å
295N54.5Low44.1Very low157 Ų157109 Ų10984%0.8471%0.705SS**THydrogen-bonded Turntrans-100.55.1-177-101.829000114.5V293V293-N295 PolarHBondContact O-N 3.21Å
296I52.7Low43.8Very low110 Ų110107.4 Ų107.456%0.56470%0.704SS**  trans-99.7113-179.3-60.7168.6000108.6Y160 V293Y160-I296 WeakPolarHBondContact CE1-O 3.35Å; V293-I296 HydrophobicContact CG1-CD1 4.19Å; V293-I296 PolarHBondContact O-N 2.73Å
297P52.7Low43.9Very low83 Ų83106.6 Ų106.654%0.53970%0.696SS.*PPolyproline II helixtrans-65.5146.4171.828.5-33.8000110
298P46.4Very low44.2Very low48 Ų48108.1 Ų108.131%0.31269%0.694SS.*PPolyproline II helixtrans-62.2143.6179.722.6-30.1000111.1G300 F301P298-G300 PolarHBondContact O-N 3.22Å; P298-G300 VanDerWaalsContact O-N 3.11Å; P298-F301 HydrophobicContact CG-CB 4.11Å; P298-F301 HydrophobicContact CG-CD2 4.26Å; P298-F301 HydrophobicContact CG-CG 4.43Å; P298-F301 PolarHBondContact O-N 3.3Å
299P56.2Low44.2Very low141 Ų141110.6 Ų110.692%0.91670%0.703SS**THydrogen-bonded Turntrans-54.3119.3178-25.434.1000111.3
300G51.3Low44.3Very low82 Ų82108.3 Ų108.385%0.84569%0.694SS**THydrogen-bonded Turntrans111.7-20.9-174.200000114.7P298 G302P298-G300 PolarHBondContact O-N 3.22Å; P298-G300 VanDerWaalsContact O-N 3.11Å; G300-G302 PolarHBondContact O-N 3.31Å
301F50.5Low44.1Very low131 Ų131114.1 Ų114.158%0.57570%0.704SS**  trans-8546.7171.7-106.3-93.9000112.2P298P298-F301 HydrophobicContact CG-CB 4.11Å; P298-F301 HydrophobicContact CG-CD2 4.26Å; P298-F301 HydrophobicContact CG-CG 4.43Å; P298-F301 PolarHBondContact O-N 3.3Å
302G42.4Very low44Very low56 Ų56114.2 Ų114.258%0.57770%0.704SS**  trans-64.9143.5168.100000110.3G300 L304G300-G302 PolarHBondContact O-N 3.31Å; G302-L304 PolarHBondContact O-N 3.12Å; G302-L304 VanDerWaalsContact O-N 3.09Å
303T43.3Very low43.9Very low129 Ų129118.5 Ų118.579%0.79171%0.707SS**  trans-55.5116.717747.50000110.3T305T303-T305 PolarHBondContact O-N 3.09Å
304L37.9Very low42.9Very low155 Ų155122 Ų12281%0.81272%0.723SS**  trans-69.879.4170.1-68.4176.8000109.3G302 P306G302-L304 PolarHBondContact O-N 3.12Å; G302-L304 VanDerWaalsContact O-N 3.09Å; L304-P306 WeakPolarHBondContact O-CD 2.8Å
305T42.9Very low42.1Very low110 Ų110121.9 Ų121.968%0.67574%0.739SS**  trans-62121.8168.3-52.90000107.8T303 G307T303-T305 PolarHBondContact O-N 3.09Å; T305-G307 VanDerWaalsContact C-N 3.32Å; T305-G307 PolarHBondContact O-N 2.97Å
306P32.7Very low41Very low135 Ų135119.2 Ų119.288%0.87774%0.738SS**SBendtrans-76.284.2-176.630.3-34.4000110.4L304L304-P306 WeakPolarHBondContact O-CD 2.8Å
307G35.5Very low40.3Very low52 Ų52120.8 Ų120.854%0.53675%0.748SS.*  trans-161.6128.6178.400000112.2T305T305-G307 VanDerWaalsContact C-N 3.32Å; T305-G307 PolarHBondContact O-N 2.97Å
308N34.7Very low39.5Very low157 Ų157123 Ų12384%0.8476%0.763SS**  trans60.490162.5-54.5-10.2000117.2
309N37.6Very low39.1Very low167 Ų167125 Ų12589%0.89378%0.782SS**  trans-161.891.8139.2-97.2-38.7000110.5
310S35Very low38.1Very low113 Ų113122.8 Ų122.879%0.7978%0.777SS**  trans-130.8125.2168.8-79.50000108
311Q36.9Very low37.3Very low184 Ų184123.8 Ų123.886%0.8678%0.777SS**  trans70.3134.3-171.4-41.7-1674.300111
312V36.4Very low36.6Very low131 Ų131122.3 Ų122.379%0.79479%0.789SS**  cis-137.3143.644.8-156.80000111.7
313L37.5Very low36.3Very low171 Ų171124.6 Ų124.690%0.89580%0.802SS**  -170.786.4124.8-98.3176.2000109
314N32.8Very low36Very low159 Ų159123.3 Ų123.385%0.8580%0.804SS**  trans-117.296165.3177.242.6000108.1
315A34.5Very low35.7Very low89 Ų89120.4 Ų120.474%0.73680%0.803SS**  trans-151.3114.9172.100000110.5
316A31.4Very low35.3Very low100 Ų100119.4 Ų119.483%0.82681%0.806SS**  trans-58.5133.5-175.500000114.8
317N38.7Very low35.7Very low144 Ų144120.5 Ų120.577%0.7780%0.803SS**  trans-155.5105.8144.2-154.1-10.6000112.5A319N317-A319 PolarHBondContact O-N 3.24Å
318P35.5Very low35.7Very low130 Ų130127.8 Ų127.884%0.84482%0.821SS**THydrogen-bonded Turntrans-90.776.7-174.935.8-33.7000112.1
319A36.4Very low36Very low88 Ų88125.9 Ų125.973%0.72782%0.817SS**THydrogen-bonded Turntrans-146.3-14.6-179.600000117.8N317N317-A319 PolarHBondContact O-N 3.24Å
320A36Very low35.9Very low96 Ų96125.1 Ų125.179%0.79381%0.813SS**SBendtrans-121-0.2-167.900000116.1A322A320-A322 VanDerWaalsContact C-N 3.27Å; A320-A322 PolarHBondContact O-N 2.94Å; A320-A322 VanDerWaalsContact O-N 3.14Å
321A34.3Very low35.9Very low103 Ų103128.2 Ų128.285%0.85182%0.819SS**THydrogen-bonded Turntrans-84.222.1-170.100000115.5
322A36Very low36Very low100 Ų100124.1 Ų124.183%0.82682%0.817SS**THydrogen-bonded Turntrans-96.9-0.9-168.500000115.8A320A320-A322 VanDerWaalsContact C-N 3.27Å; A320-A322 PolarHBondContact O-N 2.94Å; A320-A322 VanDerWaalsContact O-N 3.14Å
323A37.2Very low36.4Very low104 Ų104124.4 Ų124.486%0.8682%0.819SS**SBendtrans-117.9-0.3-168.800000116.2
324A36.1Very low36.6Very low101 Ų101121.8 Ų121.884%0.83581%0.812SS**SBendtrans-115.93-178.100000114.2A326A324-A326 PolarHBondContact O-N 3.42Å
325A32.1Very low37.1Very low95 Ų95119.9 Ų119.979%0.78581%0.808SS**  trans-95.562.7-172.700000112.7
326A35Very low37.5Very low89 Ų89121.3 Ų121.374%0.73681%0.81SS**  trans-153.666.9177.200000112.9A324A324-A326 PolarHBondContact O-N 3.42Å
327L39.3Very low37.8Very low157 Ų157123 Ų12382%0.82281%0.81SS**SBendtrans-164.912.4163.3-110.4163.7000116.6
328F36.3Very low38Very low206 Ų206122.8 Ų122.890%0.90481%0.814SS**  trans-135.9116.5177.2-63.3-75.3000112.5
329P40.5Very low37.9Very low116 Ų116122.9 Ų122.975%0.75381%0.807SS**  trans-94.5142.7165.933.9-28.9000112.1
330N35.9Very low37.6Very low152 Ų152125.5 Ų125.581%0.81381%0.809SS**  trans65.4102.2165.2-77.3-46000119.3
331L36.3Very low37.6Very low177 Ų177129.3 Ų129.393%0.92782%0.815SS**  166.384.4109-88.4158.5000111.2
332A37.2Very low37.5Very low98 Ų98129.1 Ų129.181%0.8181%0.813SS**  trans-151.977.8172.800000111.9
333V46.3Very low37.3Very low138 Ų138127.2 Ų127.284%0.83680%0.803SS**  trans-136.5113.3167.1-177.30000108.7
334P41.3Very low37Very low115 Ų115134.2 Ų134.275%0.74781%0.808SS**PPolyproline II helixtrans-84.9137.5174.832.8-31.8000111.2
335P42.5Very low37Very low119 Ų119134.5 Ų134.577%0.77380%0.801SS**PPolyproline II helixtrans-77.6150.7169.931.7-33.1000111.6
336P42.6Very low36.9Very low120 Ų120137 Ų13778%0.77981%0.806SS**PPolyproline II helixtrans-80.3152.3-171.732.1-36.4000114.1
337V38.1Very low36.9Very low134 Ų134136 Ų13681%0.81281%0.806SS**PPolyproline II helixtrans-78.7130171.7179.90000110
338V43.9Very low36.5Very low141 Ų141136.4 Ų136.486%0.85581%0.809SS**  trans-118.6133.7164.9-72.80000110.2
339N32.8Very low36.6Very low131 Ų131134.8 Ų134.870%0.70181%0.806SS**  trans-107.1147.2-168.1-15463.2000110.5
340N31.1Very low36.2Very low143 Ų143135.5 Ų135.577%0.76581%0.808SS**  trans56.8113168.2-64.4-8.8000119.1
341L34.1Very low36Very low177 Ų177136 Ų13693%0.92781%0.81SS**  -149.9138.6114.9-166.657.1000110.5
342A32.4Very low35.8Very low99 Ų99133.2 Ų133.282%0.81881%0.806SS**  trans-92.6151.8-174.600000112.7
343G32.1Very low35.6Very low60 Ų60133.9 Ų133.962%0.61980%0.804SS**  trans144.2143.4153.500000116.5
344W31Very low35Very low251 Ų251135.7 Ų135.795%0.95181%0.808SS**  trans85.8143.6159.5-5693.2000117.7
345P35.4Very low35Very low106 Ų106136.7 Ų136.769%0.68881%0.806SS**  -123.5171.9-123.741.2-30.4000115.6
346T31Very low34.8Very low147 Ų147134.8 Ų134.890%0.90280%0.8SS**  trans-48.1128.7172.3480000114.4
347G35.1Very low34.5Very low70 Ų70135.6 Ų135.672%0.72281%0.809SS**  trans-151.6110.5167.400000111.3M349G347-M349 PolarHBondContact O-N 3.38Å
348N30.7Very low34.7Very low165 Ų165133 Ų13388%0.88281%0.809SS**  trans-64.2122174.4-96.40.1000110.6
349M37.3Very low34.4Very low171 Ų171132.7 Ų132.784%0.84280%0.802SS**  trans-138106.7159.3-70.8-64.2-79.900109.2G347G347-M349 PolarHBondContact O-N 3.38Å
350T32.1Very low35.2Very low132 Ų132130 Ų13081%0.8180%0.799SS**  trans-78.5122.7172.449.90000109.7
351L33Very low35.9Very low162 Ų162128.9 Ų128.985%0.84879%0.791SS**  trans-133.4112.3167.8-79.6176.2000111.6
352S30.8Very low36.8Very low119 Ų119126 Ų12683%0.83278%0.775SS**  trans-63.9177.7162.4-49.90000111.5
353S33Very low37.7Very low111 Ų111123.8 Ų123.878%0.77675%0.75SS**  trans85.869.6171.8-1730000117.1
354L35Very low39Very low177 Ų177126.9 Ų126.993%0.92776%0.759SS**  trans-151.481.5141.6-76.7-171.7000109.9
355I41.4Very low40.3Very low135 Ų135120.6 Ų120.669%0.69275%0.749SS**  trans-132.4123.8162.3-63-178.6000107.2
356A38.2Very low41.8Very low80 Ų80119.3 Ų119.366%0.66174%0.739SS**  trans-83153.2175.200000110.6G358A356-G358 PolarHBondContact O-N 2.95Å; A356-G358 VanDerWaalsContact O-N 3.16Å
357S35.6Very low43.1Very low137 Ų137114.9 Ų114.996%0.95872%0.722SS**THydrogen-bonded Turntrans-62.9112.4-176.5-42.40000112
358G42.6Very low43.9Very low78 Ų78117.6 Ų117.680%0.80472%0.716SS**THydrogen-bonded Turntrans152.5-26.916800000116.5A356A356-G358 PolarHBondContact O-N 2.95Å; A356-G358 VanDerWaalsContact O-N 3.16Å
359D37.2Very low44.8Very low136 Ų136116 Ų11673%0.72771%0.706SS**  trans-87.1128.8-168.1-71.5-33.4000114.2I361D359-I361 PolarHBondContact O-N 3.14Å
360A49.7Very low45.2Very low75 Ų75111.9 Ų111.962%0.6269%0.694SS**  trans-70.5116.7175.200000111I362A360-I362 PolarHBondContact O-N 2.84Å
361I47Very low45.7Very low118 Ų118108.2 Ų108.261%0.60568%0.682SS**  trans-76.2111.3178.9-57.1175.4000109.3D359D359-I361 PolarHBondContact O-N 3.14Å
362I52.2Low46.1Very low117 Ų117108 Ų10860%0.668%0.681SS**BIsolated β-bridgetrans-79.1118.5168.7-58.9173.2000108.1A360 P364A360-I362 PolarHBondContact O-N 2.84Å; I362-P364 WeakPolarHBondContact O-CD 3.45Å
363D51.4Low46.6Very low53 Ų53108.3 Ų108.328%0.28367%0.672SS.*  trans-71.1116.1169.9170.19.2000109.8T365 T366 G367D363-T365 PolarHBondContact O-N 3.45Å; D363-T365 VanDerWaalsContact O-N 3.13Å; D363-T365 WeakPolarHBondContact OD1-CB 3.41Å; D363-T365 PolarHBondContact OD1-N 3.05Å; D363-T365 PolarHBondContact OD1-OG1 3.39Å; D363-T365 PolarHBondContact OD2-OG1 2.93Å; D363-T366 VanDerWaalsContact CG-OG1 3.26Å; D363-T366 PolarHBondContact O-N 2.69Å; D363-T366 WeakPolarHBondContact OD2-CB 3.11Å; D363-T366 WeakPolarHBondContact OD2-CG2 3.35Å; D363-T366 PolarHBondContact OD2-OG1 3.1Å; D363-G367 PolarHBondContact O-N 3.02Å
364P59.6Low46.9Very low124 Ų124109.6 Ų109.681%0.80567%0.67SS**THydrogen-bonded Turntrans-67.7-11.5-177.630-36.5000113.6I362I362-P364 WeakPolarHBondContact O-CD 3.45Å
365T57.4Low47Very low120 Ų120109.5 Ų109.574%0.73666%0.664SS**THydrogen-bonded Turntrans-96.7-24.1-178.471.20000113.9D363D363-T365 PolarHBondContact O-N 3.45Å; D363-T365 VanDerWaalsContact O-N 3.13Å; D363-T365 WeakPolarHBondContact OD1-CB 3.41Å; D363-T365 PolarHBondContact OD1-N 3.05Å; D363-T365 PolarHBondContact OD1-OG1 3.39Å; D363-T365 PolarHBondContact OD2-OG1 2.93Å
366T67.6Low46.7Very low79 Ų79105.1 Ų105.149%0.48565%0.652SS.*THydrogen-bonded Turntrans-120.2-19.6-177.2640000114.6D363 Q368D363-T366 VanDerWaalsContact CG-OG1 3.26Å; D363-T366 PolarHBondContact O-N 2.69Å; D363-T366 WeakPolarHBondContact OD2-CB 3.11Å; D363-T366 WeakPolarHBondContact OD2-CG2 3.35Å; D363-T366 PolarHBondContact OD2-OG1 3.1Å; T366-Q368 PolarHBondContact O-N 3.37Å; T366-Q368 VanDerWaalsContact O-N 3.13Å; T366-Q368 PolarHBondContact OG1-N 3.42Å
367G57.7Low46.8Very low53 Ų53109.4 Ų109.455%0.54666%0.664SS.*  trans62.513.4-175.200000113.9D363D363-G367 PolarHBondContact O-N 3.02Å
368Q52.7Low46.7Very low127 Ų127114.7 Ų114.759%0.59366%0.663SS**  trans-78.5126.9176.8-67.3-74.2-65.300109.3T366 S370T366-Q368 PolarHBondContact O-N 3.37Å; T366-Q368 VanDerWaalsContact O-N 3.13Å; T366-Q368 PolarHBondContact OG1-N 3.42Å; Q368-S370 PolarHBondContact O-N 3.06Å; Q368-S370 VanDerWaalsContact O-N 3.12Å
369I50.5Low46.5Very low132 Ų132116.7 Ų116.768%0.67766%0.664SS**BIsolated β-bridgetrans-8091.3167-56.4173.7000106.7G371I369-G371 PolarHBondContact O-N 3.36Å
370S45.1Very low46.5Very low85 Ų85116.3 Ų116.359%0.59467%0.669SS**  trans-73.181.2170.1-68.60000109.2Q368 I372Q368-S370 PolarHBondContact O-N 3.06Å; Q368-S370 VanDerWaalsContact O-N 3.12Å; S370-I372 PolarHBondContact O-N 2.96Å; S370-I372 VanDerWaalsContact O-N 3.11Å
371G41.8Very low45.9Very low54 Ų54116.1 Ų116.156%0.55768%0.675SS**  trans-59.4113.6167.100000108.9I369 I373I369-G371 PolarHBondContact O-N 3.36Å; G371-I373 VanDerWaalsContact C-N 3.35Å; G371-I373 PolarHBondContact O-N 3.28Å
372I41.7Very low45.5Very low159 Ų159116.1 Ų116.182%0.81569%0.685SS**  trans-67.399.6172.3-63.5172.9000106.4S370 D374S370-I372 PolarHBondContact O-N 2.96Å; S370-I372 VanDerWaalsContact O-N 3.11Å; I372-D374 PolarHBondContact O-N 3.24Å; I372-D374 VanDerWaalsContact O-N 3.14Å
373I41.9Very low44.7Very low125 Ų125117.6 Ų117.664%0.64169%0.692SS**  trans-69.4107.5168.3-60.6171.9000105.8G371 H375G371-I373 VanDerWaalsContact C-N 3.35Å; G371-I373 PolarHBondContact O-N 3.28Å; I373-H375 WeakPolarHBondContact CG2-CE1 3.33Å; I373-H375 PolarHBondContact O-N 2.95Å
374D38.3Very low44.1Very low138 Ų138125.4 Ų125.474%0.73872%0.719SS**  trans-67.4120.6176-157.2-7.7000109.1I372I372-D374 PolarHBondContact O-N 3.24Å; I372-D374 VanDerWaalsContact O-N 3.14Å
375H38.2Very low43.1Very low174 Ų174125 Ų12581%0.80672%0.719SS**  trans-113.749.1-176.9-75.7-49000110.7I373I373-H375 WeakPolarHBondContact CG2-CE1 3.33Å; I373-H375 PolarHBondContact O-N 2.95Å
376G34.8Very low42Very low43 Ų43125.9 Ų125.944%0.44372%0.719SS.*  trans-134.2132.1154.900000107.4
377D39.7Very low40.8Very low170 Ų170129.7 Ų129.791%0.90973%0.731SS**  cis-127.8149.336.3-72.3-51.1000115.3
378R33.7Very low40.1Very low249 Ų249133 Ų13394%0.9474%0.737SS**  trans-77.7129.5168.1-76.9170.8162.8171.5-6.1110.5
379S37.6Very low39.3Very low119 Ų119133.3 Ų133.383%0.83275%0.75SS**  trans-134.5121.4152.5-167.10000109.4
380P37.7Very low38.9Very low128 Ų128133.8 Ų133.883%0.83175%0.752SS**  trans-97133.9-172.135.3-31.9000112.9
381G37.7Very low38.7Very low72 Ų72134.9 Ų134.974%0.74276%0.76SS**  trans-172.8129.6170.600000113.9
382S37.6Very low38.7Very low117 Ų117144.1 Ų144.182%0.81878%0.778SS**  trans61.199.1-179-132.50000114.3
383M36.1Very low38.6Very low148 Ų148148.4 Ų148.473%0.72978%0.784SS**  cis55.9128.538.7-66.2-73.5105.300114
384Y38Very low38.2Very low217 Ų217145.5 Ų145.585%0.85179%0.785SS**  trans68.9106.5-179-48.7-75.5000114.9
385S39Very low38.2Very low115 Ų115149 Ų14980%0.80479%0.787SS**  cis-157.1151.137.8-63.60000113
386N34.9Very low38.2Very low139 Ų139151.5 Ų151.574%0.74379%0.79SS**  trans-69.5162.7160.3-49.6-66.6000108.5
387E42.6Very low38.7Very low160 Ų160156.2 Ų156.275%0.74880%0.8SS**  -152.4155.767.8-59.5-55.7141.500113.4
388D41.9Very low38.8Very low123 Ų123158.2 Ų158.266%0.65880%0.796SS**  trans61.297.4150.4-66.4-23.1000124.1I390D388-I390 PolarHBondContact O-N 3.03Å
389P37.1Very low39.2Very low133 Ų133154.1 Ų154.186%0.86479%0.787SS**SBendtrans-95.549.1163.338.9-34.5000113.8
390I41.1Very low39.9Very low141 Ų141151.7 Ų151.772%0.72378%0.775SS**  trans-115.5-18.7-177.3-64.1-177.8000114.6D388 R392D388-I390 PolarHBondContact O-N 3.03Å; I390-R392 PolarHBondContact O-N 3.2Å
391S41.7Very low40.8Very low109 Ų109151.5 Ų151.576%0.76277%0.767SS**THydrogen-bonded Turntrans-81.6-10.6-170.166.50000117.1R393S391-R393 PolarHBondContact O-N 3.14Å
392R41.8Very low41.2Very low248 Ų248157 Ų15794%0.93677%0.773SS**THydrogen-bonded Turntrans-80.520.4-173.8-63.8-161.6-175.9-152.73.6115.9I390 G394I390-R392 PolarHBondContact O-N 3.2Å; R392-G394 PolarHBondContact O-N 3.41Å
393R39.1Very low41.8Very low249 Ų249155.4 Ų155.494%0.9475%0.754SS**  trans-9476.1164-80.1-169177.6-166.62.3110.9S391S391-R393 PolarHBondContact O-N 3.14Å
394G33.6Very low42.3Very low64 Ų64150.5 Ų150.566%0.6674%0.742SS**SBendtrans-173.4130.9173.100000114.7R392R392-G394 PolarHBondContact O-N 3.41Å
395R38.6Very low42.7Very low211 Ų211150.1 Ų150.180%0.79674%0.74SS**  trans61.470.5155.5-162.3178.2-77.7-120.5-0.7117H397R395-H397 VanDerWaalsContact CG-CD2 3.41Å; R395-H397 WeakPolarHBondContact CG-CD2 3.45Å; R395-H397 PolarHBondContact NH1-NE2 2.79Å; R395-H397 PolarHBondContact O-N 3.2Å
396R38.7Very low43.1Very low226 Ų226155.2 Ų155.285%0.85374%0.743SS**  trans-7995.8146-67.8-168.1-158.8-149.45.1108.5
397H43.8Very low44.1Very low142 Ų142153.4 Ų153.466%0.65773%0.731SS**  trans-81128.4159.5-79.9-46.7000108R395 H399R395-H397 VanDerWaalsContact CG-CD2 3.41Å; R395-H397 WeakPolarHBondContact CG-CD2 3.45Å; R395-H397 PolarHBondContact NH1-NE2 2.79Å; R395-H397 PolarHBondContact O-N 3.2Å; H397-H399 PolarHBondContact O-N 3.01Å
398Y42.7Very low44.5Very low213 Ų213152.5 Ų152.584%0.83572%0.72SS**  trans-78.8105.4178.7-71.2-94.7000109.2
399H42.2Very low45Very low163 Ų163151.3 Ų151.376%0.75571%0.711SS**  trans-74.2127.9160.7-132.3-66.6000107.5H397 D401H397-H399 PolarHBondContact O-N 3.01Å; H399-D401 VanDerWaalsContact C-N 3.29Å; H399-D401 IonicContact CE1-OD2 3.4Å; H399-D401 PolarHBondContact CE1-OD2 2.76Å; H399-D401 IonicContact CG-OD2 3.9Å; H399-D401 IonicContact ND1-OD2 2.73Å; H399-D401 PolarHBondContact ND1-OD2 2.64Å; H399-D401 PolarHBondContact O-N 2.86Å
400A52.1Low46.3Very low68 Ų68146.3 Ų146.356%0.56268%0.684SS**SBendtrans-86.30.2-165.200000114
401D56.3Low46.9Very low124 Ų124146.2 Ų146.266%0.66368%0.675SS**SBendtrans-116.4-4.3-149.8-43.7-65.9000113.6H399H399-D401 VanDerWaalsContact C-N 3.29Å; H399-D401 IonicContact CE1-OD2 3.4Å; H399-D401 PolarHBondContact CE1-OD2 2.76Å; H399-D401 IonicContact CG-OD2 3.9Å; H399-D401 IonicContact ND1-OD2 2.73Å; H399-D401 PolarHBondContact ND1-OD2 2.64Å; H399-D401 PolarHBondContact O-N 2.86Å
402E46.1Very low47.8Very low187 Ų187148.1 Ų148.187%0.87467%0.666SS**  trans-105.411.7-176-136.3173.7-14600113.6G404E402-G404 PolarHBondContact O-N 3.49Å
403I50.7Low48.3Very low83 Ų83139.5 Ų139.543%0.42664%0.643SS.*  trans-76.791.4176.3-56.1178.2000109.1E407I403-E407 HydrophobicContact CG2-CB 3.6Å
404G45.9Very low49.1Very low45 Ų45135 Ų13546%0.46463%0.626SS.*  trans-53151.5176.500000113.2E402 Y406 E407E402-G404 PolarHBondContact O-N 3.49Å; G404-Y406 PolarHBondContact O-N 3.43Å; G404-E407 PolarHBondContact O-N 3.12Å
405Y46.8Very low50.1Low210 Ų210141.7 Ų141.782%0.82463%0.631SS**Hα-helixtrans-44.1-34.3-172-79.6-95.2000114.9
406Y47.5Very low51Low221 Ų221140.4 Ų140.487%0.86763%0.627SS**Hα-helixtrans-70.1-27.6-177.5-62-72.7000115.6G404G404-Y406 PolarHBondContact O-N 3.43Å
407E56.1Low51.6Low102 Ų102133.6 Ų133.648%0.47761%0.613SS.*Hα-helixtrans-78.5-35.4177.4-103-161.2127.100112.5I403 G404 E409 G410 Y411I403-E407 HydrophobicContact CG2-CB 3.6Å; G404-E407 PolarHBondContact O-N 3.12Å; E407-E409 VanDerWaalsContact C-N 3.31Å; E407-E409 PolarHBondContact O-N 3.32Å; E407-G410 WeakPolarHBondContact O-CA 3.49Å; E407-G410 PolarHBondContact O-N 3.25Å; E407-Y411 HydrophobicContact CB-CE2 4.49Å; E407-Y411 VanDerWaalsContact O-CD2 3.23Å; E407-Y411 WeakPolarHBondContact O-CD2 3.32Å; E407-Y411 PolarHBondContact O-N 2.98Å; E407-Y411 VanDerWaalsContact O-N 3.13Å
408R51Low52.1Low140 Ų140135.6 Ų135.653%0.52862%0.615SS.*Hα-helixtrans-60.8-39.8-177.7-171170.6-70.9-115.90.7112R412R408-R412 PolarHBondContact O-N 3.26Å
409E52.9Low52.7Low98 Ų98128.5 Ų128.546%0.45860%0.597SS.*Hα-helixtrans-70.7-31.2174.6-114.345.3-11400113.1E407 R412 S413E407-E409 VanDerWaalsContact C-N 3.31Å; E407-E409 PolarHBondContact O-N 3.32Å; E409-R412 PolarHBondContact O-N 2.93Å; E409-R412 WeakPolarHBondContact OE1-CD 3.49Å; E409-S413 VanDerWaalsContact O-CB 3.26Å; E409-S413 WeakPolarHBondContact O-CB 3.3Å; E409-S413 PolarHBondContact O-N 2.96Å; E409-S413 PolarHBondContact O-OG 3.04Å
410G63.9Low53.1Low29 Ų29123.1 Ų123.130%0.29958%0.578SS.*Hα-helixtrans-63.4-43.4173.600000113.1E407 R414E407-G410 WeakPolarHBondContact O-CA 3.49Å; E407-G410 PolarHBondContact O-N 3.25Å; G410-R414 WeakPolarHBondContact O-CB 2.93Å; G410-R414 VanDerWaalsContact O-CG 3.28Å; G410-R414 WeakPolarHBondContact O-CG 3.46Å; G410-R414 PolarHBondContact O-N 3.16Å
411Y54.6Low53.2Low138 Ų138122.9 Ų122.954%0.54157%0.572SS.*Hα-helixtrans-69.6-38.8176.2-73.6-76.2000112.6E407 R415E407-Y411 HydrophobicContact CB-CE2 4.49Å; E407-Y411 VanDerWaalsContact O-CD2 3.23Å; E407-Y411 WeakPolarHBondContact O-CD2 3.32Å; E407-Y411 PolarHBondContact O-N 2.98Å; E407-Y411 VanDerWaalsContact O-N 3.13Å; Y411-R415 PolarHBondContact O-N 3.26Å
412R59.1Low53.2Low150 Ų150126.1 Ų126.157%0.56658%0.575SS**Hα-helixtrans-63.1-48.3174.1-78.8179.9161.7147-4.9112.1R408 E409 R414 R415 R416R408-R412 PolarHBondContact O-N 3.26Å; E409-R412 PolarHBondContact O-N 2.93Å; E409-R412 WeakPolarHBondContact OE1-CD 3.49Å; R412-R414 PolarHBondContact O-N 2.91Å; R412-R415 PolarHBondContact O-N 3.43Å; R412-R416 PolarHBondContact O-N 3.44Å
413S52.2Low53.6Low66 Ų66122.9 Ų122.946%0.46256%0.56SS.*Hα-helixtrans-60.5-43.8178-59.60000112.1E409 R415 R416 S417E409-S413 VanDerWaalsContact O-CB 3.26Å; E409-S413 WeakPolarHBondContact O-CB 3.3Å; E409-S413 PolarHBondContact O-N 2.96Å; E409-S413 PolarHBondContact O-OG 3.04Å; S413-R415 VanDerWaalsContact C-N 3.3Å; S413-R415 PolarHBondContact O-N 3.13Å; S413-R416 PolarHBondContact O-N 2.97Å; S413-S417 PolarHBondContact O-N 2.87Å; S413-S417 PolarHBondContact O-OG 2.83Å
414R55.8Low53.9Low156 Ų156126.9 Ų126.959%0.58957%0.569SS**Hα-helixtrans-63.6-29.7176.8-75174.1-171.9166.95.8113.8G410 R412 R418G410-R414 WeakPolarHBondContact O-CB 2.93Å; G410-R414 VanDerWaalsContact O-CG 3.28Å; G410-R414 WeakPolarHBondContact O-CG 3.46Å; G410-R414 PolarHBondContact O-N 3.16Å; R412-R414 PolarHBondContact O-N 2.91Å; R414-R418 WeakPolarHBondContact O-CB 3.46Å; R414-R418 WeakPolarHBondContact O-CG 3.49Å; R414-R418 PolarHBondContact O-N 3.42Å
415R56.2Low54.2Low203 Ų203132.5 Ų132.577%0.76658%0.578SS**Hα-helixtrans-73.2-46.7170.3-81.3-166.9175-129.23.2111.3Y411 R412 S413 S417 R418 S419Y411-R415 PolarHBondContact O-N 3.26Å; R412-R415 PolarHBondContact O-N 3.43Å; S413-R415 VanDerWaalsContact C-N 3.3Å; S413-R415 PolarHBondContact O-N 3.13Å; R415-S417 PolarHBondContact O-N 3.35Å; R415-R418 PolarHBondContact O-N 3.43Å; R415-R418 VanDerWaalsContact O-N 3.11Å; R415-S419 PolarHBondContact O-N 3.23Å; R415-S419 PolarHBondContact O-OG 3.01Å
416R57Low54.7Low185 Ų185128.6 Ų128.670%0.69857%0.567SS**Hα-helixtrans-61.1-42.2-178.1-138.6168.7-168.11444.6112.5R412 S413 R418 S419 S420R412-R416 PolarHBondContact O-N 3.44Å; S413-R416 PolarHBondContact O-N 2.97Å; R416-R418 PolarHBondContact O-N 3.29Å; R416-S419 PolarHBondContact O-N 2.9Å; R416-S420 PolarHBondContact O-N 2.98Å
417S50.3Low55Low82 Ų82121.2 Ų121.257%0.57355%0.547SS*.Hα-helixtrans-67-32.7174.9-55.50000113.5S413 R415 S421S413-S417 PolarHBondContact O-N 2.87Å; S413-S417 PolarHBondContact O-OG 2.83Å; R415-S417 PolarHBondContact O-N 3.35Å; S417-S421 WeakPolarHBondContact O-CB 3Å; S417-S421 PolarHBondContact O-N 3.32Å; S417-S421 VanDerWaalsContact O-N 3.13Å
418R54.7Low54.7Low185 Ų185124.6 Ų124.670%0.69856%0.556SS**Hα-helixtrans-71.9-36.1174.9-81.5-179.8162.5120.9-4.4112.5R414 R415 R416 R422R414-R418 WeakPolarHBondContact O-CB 3.46Å; R414-R418 WeakPolarHBondContact O-CG 3.49Å; R414-R418 PolarHBondContact O-N 3.42Å; R415-R418 PolarHBondContact O-N 3.43Å; R415-R418 VanDerWaalsContact O-N 3.11Å; R416-R418 PolarHBondContact O-N 3.29Å; R418-R422 PolarHBondContact O-N 2.87Å
419S54.7Low54.8Low63 Ų63125.1 Ų125.144%0.44156%0.564SS.*Hα-helixtrans-66.4-51.9172.1-60.50000111.5R415 R416 S421 R422 E423R415-S419 PolarHBondContact O-N 3.23Å; R415-S419 PolarHBondContact O-OG 3.01Å; R416-S419 PolarHBondContact O-N 2.9Å; S419-S421 VanDerWaalsContact C-N 3.26Å; S419-S421 PolarHBondContact O-N 3.29Å; S419-R422 WeakPolarHBondContact O-CA 3.45Å; S419-R422 WeakPolarHBondContact O-CB 3.45Å; S419-R422 PolarHBondContact O-N 3Å; S419-E423 PolarHBondContact O-N 3.1Å
420S51.6Low54.7Low51 Ų51129.3 Ų129.336%0.35758%0.576SS.*Hα-helixtrans-59.4-35.9-178.7-172.60000112.8R416 R424R416-S420 PolarHBondContact O-N 2.98Å; S420-R424 WeakPolarHBondContact O-CB 3.35Å; S420-R424 PolarHBondContact O-N 3.47Å
421S53Low54.2Low63 Ų63137.6 Ų137.644%0.44160%0.598SS.*Hα-helixtrans-65.7-43.9173.5-168.90000112.1S417 S419 E423 R424 Y425S417-S421 WeakPolarHBondContact O-CB 3Å; S417-S421 PolarHBondContact O-N 3.32Å; S417-S421 VanDerWaalsContact O-N 3.13Å; S419-S421 VanDerWaalsContact C-N 3.26Å; S419-S421 PolarHBondContact O-N 3.29Å; S421-E423 PolarHBondContact O-N 2.92Å; S421-R424 PolarHBondContact O-N 3.06Å; S421-Y425 WeakPolarHBondContact O-CD2 3.33Å; S421-Y425 PolarHBondContact O-N 3.29Å
422R57.2Low54Low192 Ų192137.6 Ų137.673%0.72560%0.602SS**Hα-helixtrans-60.6-45.3174.6-86.1-178.6166.7174.8-4.7112R418 S419 R424 Y425 H426R418-R422 PolarHBondContact O-N 2.87Å; S419-R422 WeakPolarHBondContact O-CA 3.45Å; S419-R422 WeakPolarHBondContact O-CB 3.45Å; S419-R422 PolarHBondContact O-N 3Å; R422-R424 PolarHBondContact O-N 2.81Å; R422-Y425 PolarHBondContact O-N 3.17Å; R422-H426 PolarHBondContact O-N 3.36Å; R422-H426 VanDerWaalsContact O-N 3.08Å; R422-H426 PolarHBondContact O-ND1 3.19Å
423E55.1Low53.5Low119 Ų119139.9 Ų139.956%0.55661%0.611SS**Hα-helixtrans-63.1-41.4178.2-73.8159.7159.900112.1S419 S421 Y425 H426 S427S419-E423 PolarHBondContact O-N 3.1Å; S421-E423 PolarHBondContact O-N 2.92Å; E423-Y425 VanDerWaalsContact C-N 3.27Å; E423-Y425 PolarHBondContact O-N 3.44Å; E423-H426 PolarHBondContact O-N 3.26Å; E423-H426 VanDerWaalsContact O-N 3.1Å; E423-S427 WeakPolarHBondContact O-CB 3.19Å; E423-S427 PolarHBondContact O-N 3.28Å; E423-S427 PolarHBondContact O-OG 2.89Å
424R56.3Low53.4Low166 Ų166141.8 Ų141.863%0.62662%0.616SS**Hα-helixtrans-62.8-32.5178.4-158.1176.5-67.2-174.5-2.4112.5S420 S421 R422S420-R424 WeakPolarHBondContact O-CB 3.35Å; S420-R424 PolarHBondContact O-N 3.47Å; S421-R424 PolarHBondContact O-N 3.06Å; R422-R424 PolarHBondContact O-N 2.81Å
425Y52.9Low53.1Low164 Ų164137.7 Ų137.764%0.64361%0.611SS**Hα-helixtrans-72.3-41.9170.3-88-80.5000113.1S421 R422 E423 R428 H429S421-Y425 WeakPolarHBondContact O-CD2 3.33Å; S421-Y425 PolarHBondContact O-N 3.29Å; R422-Y425 PolarHBondContact O-N 3.17Å; E423-Y425 VanDerWaalsContact C-N 3.27Å; E423-Y425 PolarHBondContact O-N 3.44Å; Y425-R428 PolarHBondContact O-N 3.5Å; Y425-H429 PolarHBondContact O-N 2.99Å
426H57Low52.9Low128 Ų128132 Ų13259%0.59360%0.602SS**Hα-helixtrans-68.6-37.3-179.2-73.361.1000112.2R422 E423 H429 R430R422-H426 PolarHBondContact O-N 3.36Å; R422-H426 VanDerWaalsContact O-N 3.08Å; R422-H426 PolarHBondContact O-ND1 3.19Å; E423-H426 PolarHBondContact O-N 3.26Å; E423-H426 VanDerWaalsContact O-N 3.1Å; H426-H429 PolarHBondContact O-N 3.26Å; H426-R430 PolarHBondContact O-N 2.72Å
427S52.5Low52.6Low66 Ų66132.9 Ų132.946%0.46261%0.606SS.*Hα-helixtrans-65.9-39177.3-66.30000113E423 H429 R430 R431E423-S427 WeakPolarHBondContact O-CB 3.19Å; E423-S427 PolarHBondContact O-N 3.28Å; E423-S427 PolarHBondContact O-OG 2.89Å; S427-H429 VanDerWaalsContact C-N 3.34Å; S427-R430 PolarHBondContact O-N 2.8Å; S427-R431 PolarHBondContact O-N 2.73Å
428R51.7Low52.6Low173 Ų173132.7 Ų132.765%0.65360%0.604SS**Hα-helixtrans-64.3-38.5174.1-77.1-179.4171.8176.3-3.7111.9Y425 R430 R431 H432Y425-R428 PolarHBondContact O-N 3.5Å; R428-R430 PolarHBondContact O-N 3.06Å; R428-R431 PolarHBondContact O-N 2.93Å; R428-H432 PolarHBondContact O-CD2 2.77Å
429H51.2Low52.4Low150 Ų150126.5 Ų126.569%0.69460%0.598SS**Hα-helixtrans-71.7-24.6-178.8-116-62.9000114.9Y425 H426 S427Y425-H429 PolarHBondContact O-N 2.99Å; H426-H429 PolarHBondContact O-N 3.26Å; S427-H429 VanDerWaalsContact C-N 3.34Å
430R52.8Low52.2Low187 Ų187133.1 Ų133.171%0.70661%0.613SS**Hα-helixtrans-73.9-46.7172.2-70.2-172.9-176.8170.72.5112H426 S427 R428 H432 R433 D434H426-R430 PolarHBondContact O-N 2.72Å; S427-R430 PolarHBondContact O-N 2.8Å; R428-R430 PolarHBondContact O-N 3.06Å; R430-H432 VanDerWaalsContact C-N 3.27Å; R430-H432 PolarHBondContact O-N 3.09Å; R430-H432 VanDerWaalsContact O-N 3.16Å; R430-R433 PolarHBondContact O-N 3.13Å; R430-D434 PolarHBondContact O-N 3.06Å
431R51.8Low52.1Low202 Ų202137.1 Ų137.176%0.76263%0.627SS**Hα-helixtrans-56-36-176.7-68-175.8-173.5-166.50.8113.7S427 R428 S435S427-R431 PolarHBondContact O-N 2.73Å; R428-R431 PolarHBondContact O-N 2.93Å; R431-S435 PolarHBondContact O-OG 3.16Å
432H50.9Low51.8Low138 Ų138143.5 Ų143.564%0.63964%0.642SS**Hα-helixtrans-78.9-17.7175.9-72-72.2000115R428 R430 S435 S436R428-H432 PolarHBondContact O-CD2 2.77Å; R430-H432 VanDerWaalsContact C-N 3.27Å; R430-H432 PolarHBondContact O-N 3.09Å; R430-H432 VanDerWaalsContact O-N 3.16Å; H432-S435 PolarHBondContact O-OG 3.16Å; H432-S436 PolarHBondContact O-OG 3.04Å
433R49.3Very low51.6Low199 Ų199142.4 Ų142.475%0.75165%0.645SS**Hα-helixtrans-86.1-33.4-179.2-141.5177.6-166.9-175.44.2112.2R430 R437R430-R433 PolarHBondContact O-N 3.13Å; R433-R437 PolarHBondContact O-N 3.45Å
434D49.8Very low51.2Low105 Ų105144.7 Ų144.756%0.56166%0.656SS**Hα-helixtrans-79.9-35.7178.3-66.4-41.4000112.6R430 S436 R437 S438R430-D434 PolarHBondContact O-N 3.06Å; D434-S436 VanDerWaalsContact C-N 3.25Å; D434-S436 PolarHBondContact O-N 3.01Å; D434-R437 PolarHBondContact O-N 3.39Å; D434-S438 PolarHBondContact O-N 2.93Å
435S49.4Very low50.9Low71 Ų71147.2 Ų147.250%0.49767%0.665SS.*Hα-helixtrans-60.4-36.2171.362.10000112.4R431 H432 R437 G439R431-S435 PolarHBondContact O-OG 3.16Å; H432-S435 PolarHBondContact O-OG 3.16Å; S435-R437 VanDerWaalsContact C-N 3.27Å; S435-R437 PolarHBondContact O-N 2.91Å; S435-G439 PolarHBondContact O-N 2.75Å
436S51Low50.7Low82 Ų82151.4 Ų151.457%0.57368%0.68SS**Hα-helixtrans-71.6-15.4175.5-58.50000114.4H432 D434H432-S436 PolarHBondContact O-OG 3.04Å; D434-S436 VanDerWaalsContact C-N 3.25Å; D434-S436 PolarHBondContact O-N 3.01Å
437R50.6Low49.9Very low205 Ų205147.8 Ų147.877%0.77468%0.678SS**Hα-helixtrans-96.4-37.1176.4-108.8177.6173-178.3-4.2112.6R433 D434 S435 G439 R440R433-R437 PolarHBondContact O-N 3.45Å; D434-R437 PolarHBondContact O-N 3.39Å; S435-R437 VanDerWaalsContact C-N 3.27Å; S435-R437 PolarHBondContact O-N 2.91Å; R437-G439 VanDerWaalsContact C-N 3.31Å; R437-G439 PolarHBondContact O-N 3.27Å; R437-R440 PolarHBondContact O-N 2.87Å
438S51.7Low49.4Very low77 Ų77151.8 Ų151.854%0.53870%0.699SS.*Hα-helixtrans-59.8-38.1175.6-174.60000112.8D434 R440D434-S438 PolarHBondContact O-N 2.93Å; S438-R440 VanDerWaalsContact C-N 3.31Å; S438-R440 PolarHBondContact O-N 3.32Å
439G50.5Low48.8Very low55 Ų55147.6 Ų147.657%0.56770%0.696SS**THydrogen-bonded Turntrans-68.5-16.5-177.900000116.4S435 R437S435-G439 PolarHBondContact O-N 2.75Å; R437-G439 VanDerWaalsContact C-N 3.31Å; R437-G439 PolarHBondContact O-N 3.27Å
440R50.3Low48.4Very low202 Ų202150 Ų15076%0.76271%0.708SS**THydrogen-bonded Turntrans-92.1-11.7-175.6-77-173.9178.1167.21.6115.2R437 S438R437-R440 PolarHBondContact O-N 2.87Å; S438-R440 VanDerWaalsContact C-N 3.31Å; S438-R440 PolarHBondContact O-N 3.32Å
441E48.3Very low48.1Very low136 Ų136148.9 Ų148.964%0.63671%0.71SS**SBendtrans-84.2-14.1-177.9-155.9170161.100113.3
442Y48Very low47.5Very low197 Ų197143.9 Ų143.977%0.77371%0.706SS**SBendtrans-83.3-18.1-176.4-74.1-80.6000115.3
443E51.9Low47.2Very low169 Ų169147 Ų14779%0.7971%0.712SS**SBendtrans-88.5-21.5177.4-67.6-163.3134.700113.9R445E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.37Å
444H48Very low46.9Very low167 Ų167148 Ų14877%0.77372%0.716SS**THydrogen-bonded Turntrans-79.83.9-174.9-75.9-60.3000115.7
445R49.5Very low46.5Very low218 Ų218147.2 Ų147.282%0.82372%0.719SS**THydrogen-bonded Turntrans-105.13.3177.4-70.3-165.3-174.7-168.85115.7E443E443-R445 VanDerWaalsContact C-N 3.28Å; E443-R445 PolarHBondContact O-N 3.37Å
446R48.6Very low46.2Very low252 Ų252153.3 Ų153.395%0.95173%0.731SS**SBendtrans-99.19.4180-122.5-177.4-168.4-132.83.5115.5
447G39.7Very low46Very low53 Ų53155.5 Ų155.555%0.54673%0.732SS.*SBendtrans-124.9145.417200000112
448T43.1Very low45.7Very low149 Ų149150.7 Ų150.791%0.91472%0.722SS**  trans91.9123172.6-34.50000117.1
449S38.1Very low45.5Very low85 Ų85155.2 Ų155.259%0.59473%0.727SS**  trans90.680.6157.7-146.80000119.8
450H42.5Very low45.2Very low201 Ų201163 Ų16393%0.93174%0.741SS**  trans-125.498.6132.6-85.2-71.7000109.3
451H47.3Very low45Very low164 Ų164159 Ų15976%0.75974%0.744SS**  trans-89.4142.6172.8-8124.7000111.4
452S39.5Very low44.8Very low97 Ų97156.1 Ų156.168%0.67875%0.75SS**  trans1.6143161.169.90000119.9
453R44.4Very low44.5Very low204 Ų204150.3 Ų150.377%0.7775%0.75SS**  -176.8121108.3-98.5161.4-171.6-158.63.5113.5
454R42.6Very low44.2Very low219 Ų219148.7 Ų148.783%0.82675%0.752SS**  trans67.3151.1140.7-56.3170-177.6-157.6-3.3115.4
455S40.9Very low44.2Very low89 Ų89147.7 Ų147.762%0.62276%0.757SS**  cis-158.8149.216.9-1480000110.2
456R43.1Very low43.9Very low198 Ų198141 Ų14175%0.74776%0.756SS**  trans42.2150131.2-66178.2135.4150.8-3120.5
457E48.2Very low43.9Very low129 Ų129132.9 Ų132.960%0.60374%0.743SS**  cis-171.9155.4-1.3-108.9153.3-177.800104.2
458D44.6Very low44.4Very low104 Ų104139.2 Ų139.256%0.55676%0.758SS**  cis-157.7-176.27.2-144.5-17.4000113.4
459R46.9Very low44.6Very low172 Ų172139.1 Ų139.165%0.64975%0.747SS**  trans-28.1147.5160.6-64.5161.8-90.4-175.2-2.9116.7
460Y44.1Very low45.2Very low218 Ų218143.3 Ų143.386%0.85576%0.757SS**  -165.5166.770.8-112.5-88.3000114
461S45.7Very low45.2Very low119 Ų119137.2 Ų137.283%0.83275%0.749SS**  trans-115.9146.8-177.91780000112.1
462G45.2Very low45Very low74 Ų74134.9 Ų134.976%0.76375%0.751SS**  trans136.5131.1155.600000117.3
463G40.6Very low45.6Very low75 Ų75136 Ų13677%0.77375%0.754SS**  trans97.6136.3159.500000116.9
464V46.5Very low45.7Very low136 Ų136135.3 Ų135.382%0.82476%0.759SS**  cis168.8113.8-25.9140.60000106.4
465V47.9Very low45.9Very low145 Ų145129.1 Ų129.188%0.87976%0.755SS**  trans40.4141162.5-77.30000125.8
466G43.6Very low46.4Very low78 Ų78130.7 Ų130.780%0.80476%0.764SS**  trans106.5142142.500000116.3
467A47.8Very low46.5Very low82 Ų82126.6 Ų126.668%0.67877%0.765SS**  cis-166.4156.6-16.100000108.8
468E49.8Very low46.8Very low186 Ų186126.5 Ų126.587%0.86978%0.776SS**  trans53155147.8-72.7159.8-147.700121.3
469E47.5Very low46.6Very low146 Ų146128.8 Ų128.868%0.68279%0.788SS**  cis-163.7175.1-29.4-147.9-169.5177.500108.3
470H51.3Low46.9Very low173 Ų173125.9 Ų125.980%0.80179%0.792SS**  trans68.9154.8172.1-35.5-53.4000117.3
471G42.3Very low46.9Very low73 Ų73121.4 Ų121.475%0.75379%0.792SS**  cis-177.9147.7-4.900000110.4
472S42.5Very low46.7Very low116 Ų116119.2 Ų119.281%0.81179%0.788SS**  trans-72.4163.1-170.1-44.60000115.3
473T51.9Low46.6Very low121 Ų121120.6 Ų120.674%0.74279%0.786SS**  161141.2115.8-64.20000114.5
474E46.4Very low46.8Very low188 Ų188125.1 Ų125.188%0.87979%0.787SS**  trans69.9149158.9-81.1168.4154.600125
475A47.9Very low46.6Very low89 Ų89129.3 Ų129.374%0.73679%0.788SS**  trans-117.8-167178.800000108.3
476P51.6Low46.4Very low123 Ų123127.4 Ų127.480%0.79978%0.781SS**  cis-139.6-173.14.740.9-19.1000117
477S44.5Very low46.6Very low112 Ų112129.8 Ų129.878%0.78379%0.785SS**  trans-44.8169.7170.7-50.30000117
478P53.8Low46.3Very low127 Ų127129 Ų12983%0.82579%0.785SS**  cis-147.6178.626.142.1-19.7000120.6
479N42Very low45.9Very low151 Ų151131.6 Ų131.681%0.80779%0.787SS**  trans-48.5164.9167.8-71.4-27.8000115.3
480P52.4Low45.5Very low112 Ų112136.5 Ų136.573%0.72780%0.799SS**  cis-159.1179.54645-22.7000121.9
481S43.1Very low45.1Very low123 Ų123133 Ų13386%0.8679%0.794SS**  trans81.4138.6149.576.20000121.3
482G41.5Very low45.1Very low74 Ų74136.5 Ų136.576%0.76380%0.796SS**  trans137.682.6177.500000113.2
483S44.5Very low45.2Very low103 Ų103142 Ų14272%0.7280%0.799SS**  78.790.790.51760000116.5
484H44.3Very low44.9Very low169 Ų169143.4 Ų143.478%0.78280%0.802SS**  trans69129.6133.4-64.5-60.2000124
485R42.8Very low44.6Very low225 Ų225145.7 Ų145.785%0.84980%0.802SS**  trans99.9113.9138.6-76.6163.3-172.3-1402121
486S43.5Very low44.5Very low105 Ų105147.7 Ų147.773%0.73481%0.808SS**  95.4126.3129.9-64.70000120.8
487S48Very low44Very low127 Ų127145.2 Ų145.289%0.88881%0.805SS**  trans65.9139.3163.773.50000117.5
488G41Very low44.1Very low66 Ų66150.2 Ų150.268%0.6881%0.807SS**  cis165.6144-10.800000113.2
489R41.2Very low43.6Very low240 Ų240147.5 Ų147.591%0.90679%0.785SS**  trans63.1116.6164.7-48.6178.9178.9-161.1-0.9117.3
490R38.7Very low43.9Very low250 Ų250152.6 Ų152.694%0.94379%0.793SS**  160100.6114.9-83.7161.7-165.4-136.36111.7
491S42.8Very low43.9Very low98 Ų98151.1 Ų151.169%0.68579%0.785SS**  trans-138.7167.2151.658.30000108.2
492D43.5Very low44.2Very low148 Ų148152.2 Ų152.279%0.79177%0.771SS**  trans76.365.8165.1-44-46.8000117.4
493R44.5Very low44.5Very low231 Ų231155.6 Ų155.687%0.87277%0.766SS**  trans-126141143.4-73.6-174.6-177.5176.8-1.5105.6
494D44.7Very low44.8Very low151 Ų151160.6 Ų160.681%0.80777%0.769SS**  cis-142.7159.829.4-82.1-65.7000114.3
495R40.3Very low45.2Very low235 Ų235156.3 Ų156.389%0.88775%0.752SS**  trans-76.5163.5170.6-71.4174.6169.4167.9-4.5111.5
496P45.6Very low45.6Very low132 Ų132153.8 Ų153.886%0.85774%0.743SS**  -131.5127.4113.634.7-27.1000113.2
497G40.8Very low46Very low71 Ų71153 Ų15373%0.73274%0.738SS**  trans-92.3117.9171.900000111.9
498R47.5Very low46.2Very low217 Ų217154.7 Ų154.782%0.81972%0.724SS**  trans-165.7140.5166.8-87.9-172.5-170.9-156.3-0.6105.9
499D42.5Very low46.5Very low69 Ų69157.5 Ų157.537%0.36972%0.72SS.*  cis-143.496.7-2.4-81-58.6000107.8S501 R502D499-S501 PolarHBondContact O-N 3.32Å; D499-R502 HydrophobicContact CB-CG 4.29Å; D499-R502 IonicContact OD2-CZ 2.66Å; D499-R502 IonicContact OD2-NH1 3.27Å; D499-R502 PolarHBondContact OD2-NH1 2.93Å; D499-R502 IonicContact OD2-NH2 3.54Å; D499-R502 PolarHBondContact OD2-NH2 2.98Å; D499-R502 VanDerWaalsContact OD2-NH2 3.09Å
500R49.8Very low47Very low259 Ų259156.6 Ų156.698%0.97772%0.716SS**THydrogen-bonded Turntrans-82.38.1174.5-81.1-174.2176.4157.8-0.8114.1
501S50.5Low47.7Very low81 Ų81148 Ų14857%0.56669%0.694SS**THydrogen-bonded Turntrans-89.3-26.2179.3-390000113.4D499 E503 R504D499-S501 PolarHBondContact O-N 3.32Å; S501-E503 VanDerWaalsContact C-N 3.34Å; S501-E503 PolarHBondContact O-N 2.97Å; S501-R504 PolarHBondContact O-N 3.16Å
502R50Low48.1Very low146 Ų146148.3 Ų148.355%0.55169%0.685SS**Hα-helixtrans-74-15-166.4-75.5-170.6179.2120.916.1115.9D499D499-R502 HydrophobicContact CB-CG 4.29Å; D499-R502 IonicContact OD2-CZ 2.66Å; D499-R502 IonicContact OD2-NH1 3.27Å; D499-R502 PolarHBondContact OD2-NH1 2.93Å; D499-R502 IonicContact OD2-NH2 3.54Å; D499-R502 PolarHBondContact OD2-NH2 2.98Å; D499-R502 VanDerWaalsContact OD2-NH2 3.09Å
503E47.6Very low48.4Very low145 Ų145151 Ų15168%0.67868%0.684SS**Hα-helixtrans-71.9-34.4173.6-125.987.9-105.800111.6S501 R506S501-E503 VanDerWaalsContact C-N 3.34Å; S501-E503 PolarHBondContact O-N 2.97Å; E503-R506 IonicContact OE1-NH1 3.08Å
504R52.1Low48.8Very low207 Ų207150.1 Ų150.178%0.78168%0.68SS**Hα-helixtrans-75-28.2-173-111.5179.8-172.8-168.51.9114.3S501S501-R504 PolarHBondContact O-N 3.16Å
505D51.9Low49.2Very low79 Ų79148.4 Ų148.442%0.42267%0.671SS.*Hα-helixtrans-79.5-25.7-179-63.7-38000112.6S507 R508D505-S507 VanDerWaalsContact C-N 3.3Å; D505-S507 PolarHBondContact O-N 2.93Å; D505-R508 PolarHBondContact O-N 3.48Å
506R51.6Low49.6Very low173 Ų173143.8 Ų143.865%0.65366%0.66SS**Hα-helixtrans-65.3-33176.3-71-177.1177.7137.3-3.9112.9E503E503-R506 IonicContact OE1-NH1 3.08Å
507S51Low49.8Very low89 Ų89146 Ų14662%0.62266%0.658SS**Hα-helixtrans-73.6-28177-54.50000113.1D505D505-S507 VanDerWaalsContact C-N 3.3Å; D505-S507 PolarHBondContact O-N 2.93Å
508R52.5Low50.3Low161 Ų161153.9 Ų153.961%0.60867%0.666SS**Hα-helixtrans-73-35.5-178.8-71.7-179.6165.6-170.4-8.3113.1D505 R510 S511D505-R508 PolarHBondContact O-N 3.48Å; R508-R510 PolarHBondContact O-N 3.27Å; R508-S511 PolarHBondContact O-N 2.91Å; R508-S511 PolarHBondContact O-OG 3.22Å
509H47.4Very low50.4Low126 Ų126147.7 Ų147.758%0.58366%0.656SS**Hα-helixtrans-73.4-6.8179.1-65.2-38.7000115.1E512H509-E512 IonicContact ND1-OE2 3.09Å; H509-E512 PolarHBondContact ND1-OE2 3.12Å
510R51.6Low50.8Low221 Ų221150.4 Ų150.483%0.83468%0.675SS**Hα-helixtrans-88-25.7171.7-105.6-177.4176.2-178.4-1.7113.6R508R508-R510 PolarHBondContact O-N 3.27Å
511S53.2Low50.6Low69 Ų69148.5 Ų148.548%0.48367%0.668SS.*Hα-helixtrans-77.5-46.717538.50000112.4R508 R513 R514R508-S511 PolarHBondContact O-N 2.91Å; R508-S511 PolarHBondContact O-OG 3.22Å; S511-R513 PolarHBondContact O-N 2.83Å; S511-R514 PolarHBondContact O-N 2.83Å
512E50.8Low50.3Low104 Ų104150.4 Ų150.449%0.48668%0.678SS.*Hα-helixtrans-63.5-21.8-171.5-66.2169.5143.400114.3H509 H516H509-E512 IonicContact ND1-OE2 3.09Å; H509-E512 PolarHBondContact ND1-OE2 3.12Å; E512-H516 PolarHBondContact O-ND1 3.44Å
513R50.9Low50.1Low205 Ų205147.6 Ų147.677%0.77468%0.681SS**Hα-helixtrans-73.3-23.7176-80.8-168.4174-156.2-1.7114.3S511S511-R513 PolarHBondContact O-N 2.83Å
514R51.9Low50Low212 Ų212152 Ų15280%0.869%0.691SS**Hα-helixtrans-79.8-25.6178-78.6-169.9173.5-174.2-0.5113.3S511S511-R514 PolarHBondContact O-N 2.83Å
515D52.9Low49.8Very low115 Ų115150.8 Ų150.862%0.61569%0.694SS**Hα-helixtrans-78.6-22.2-179.3-62.2-47.4000113.1
516H49.9Very low49.6Very low139 Ų139151.4 Ų151.464%0.64471%0.705SS**G310 helixtrans-81.3-14.6-178-76.376.1000114.7E512 R518 S519E512-H516 PolarHBondContact O-ND1 3.44Å; H516-R518 VanDerWaalsContact C-N 3.31Å; H516-S519 PolarHBondContact O-OG 3.49Å
517E49.7Very low49.4Very low178 Ų178150.4 Ų150.483%0.83271%0.712SS**G310 helixtrans-83.1-8.3174.4-66.3-173.816000112.7
518R50.2Low49Very low237 Ų237155.9 Ų155.989%0.89473%0.728SS**G310 helixtrans-94-2.5-175.5-130.2173.9-159.2-93.4-2115.4H516H516-R518 VanDerWaalsContact C-N 3.31Å
519S50.8Low48.6Very low86 Ų86159.7 Ų159.760%0.60174%0.742SS**SBendtrans-114.6-12.9-167.756.50000115.9H516 R521H516-S519 PolarHBondContact O-OG 3.49Å; S519-R521 PolarHBondContact O-N 3.3Å
520V49.7Very low48.5Very low127 Ų127159.3 Ų159.377%0.7775%0.754SS**  trans-92.482.5179.4-170.60000111.3
521R46.8Very low48.3Very low219 Ų219154 Ų15483%0.82675%0.75SS**  trans-62.8150.9159.8-68.7178.2171.1-173.1-3.4109.7S519S519-R521 PolarHBondContact O-N 3.3Å
522P44.7Very low48Very low120 Ų120162.4 Ų162.478%0.77977%0.771SS**  -109.2128.2117.7-15.131.5000111.2R524P522-R524 PolarHBondContact O-N 2.86Å
523S45.2Very low47.9Very low87 Ų87168.9 Ų168.961%0.60879%0.791SS**  trans-68.1111.6169.8-177.40000109.1Q525S523-Q525 VanDerWaalsContact C-N 3.33Å; S523-Q525 PolarHBondContact O-N 2.8Å
524R45.9Very low48Very low238 Ų238168.4 Ų168.490%0.89880%0.795SS**  trans-80.287.3162.2-81.6-174.1168.7171.8-3.3108.9P522P522-R524 PolarHBondContact O-N 2.86Å
525Q46.3Very low47.8Very low181 Ų181167.1 Ų167.185%0.84680%0.798SS**  trans-74.4119.3150.7-70.3179.3-1400107.3S523S523-Q525 VanDerWaalsContact C-N 3.33Å; S523-Q525 PolarHBondContact O-N 2.8Å
526S48.1Very low47.7Very low92 Ų92169.7 Ų169.764%0.64381%0.806SS**  trans-15292.1166.758.90000109.6
527D47.6Very low48.3Very low152 Ų152168.4 Ų168.481%0.81381%0.81SS**  trans55.295.8146.2-52.4-35.9000119.2R529D527-R529 PolarHBondContact O-N 3.07Å
528H42.8Very low48.6Very low205 Ų205165.1 Ų165.195%0.94981%0.807SS**  trans-60.298151.2-63.6-68.8000110.6
529R45.2Very low49.6Very low241 Ų241159.3 Ų159.391%0.90980%0.8SS**  trans-100.1107.9156.3-92.6-170.9169.8-156.2-2.1110.1D527 S531D527-R529 PolarHBondContact O-N 3.07Å; R529-S531 PolarHBondContact O-N 2.95Å; R529-S531 VanDerWaalsContact O-N 3.14Å
530S43.4Very low50.4Low118 Ų118161.2 Ų161.283%0.82581%0.81SS**  trans-69.8102.4173.349.50000110.9R532S530-R532 PolarHBondContact O-N 3.16Å
531S49.3Very low50.9Low108 Ų108165.7 Ų165.776%0.75581%0.813SS**  trans-82.8101.2157.355.80000108.4R529 R533R529-S531 PolarHBondContact O-N 2.95Å; R529-S531 VanDerWaalsContact O-N 3.14Å; S531-R533 PolarHBondContact O-N 3.17Å
532R46.9Very low51.9Low247 Ų247160.3 Ų160.393%0.93281%0.807SS**  trans-62.483.9163.8-88.7-179.7163.4-179.6-4.6108.5S530 K534S530-R532 PolarHBondContact O-N 3.16Å; R532-K534 PolarHBondContact O-N 2.92Å; R532-K534 VanDerWaalsContact O-N 3.09Å
533R47.4Very low52.6Low240 Ų240160.1 Ų160.191%0.90681%0.805SS**  trans-77.197.4166.6-138.5178-168-141.31.8107S531 E535S531-R533 PolarHBondContact O-N 3.17Å; R533-E535 PolarHBondContact O-N 3.1Å
534K53.4Low52.9Low194 Ų194161.7 Ų161.784%0.84381%0.811SS**PPolyproline II helixtrans-49.9118.4179.5-155.9176.7-172.5-177.30108.9R532 Q536R532-K534 PolarHBondContact O-N 2.92Å; R532-K534 VanDerWaalsContact O-N 3.09Å; K534-Q536 PolarHBondContact O-N 3.13Å; K534-Q536 VanDerWaalsContact O-N 3.16Å
535E47.5Very low53Low185 Ų185155.5 Ų155.586%0.86480%0.8SS**PPolyproline II helixtrans-58.6119.7173.7-67.8-178.2143.700108.6R533R533-E535 PolarHBondContact O-N 3.1Å
536Q51.6Low53Low170 Ų170151.9 Ų151.979%0.79480%0.795SS**PPolyproline II helixtrans-80.6117.7163.5-80.4-75-6.300106.3K534 S538K534-Q536 PolarHBondContact O-N 3.13Å; K534-Q536 VanDerWaalsContact O-N 3.16Å; Q536-S538 PolarHBondContact O-N 3.25Å
537P62.9Low52.8Low112 Ų112153.7 Ų153.773%0.72780%0.797SS**PPolyproline II helixtrans-63.9125.9175.526.9-32.4000108.6
538S55.4Low52.7Low108 Ų108156 Ų15676%0.75580%0.8SS**PPolyproline II helixtrans-57137.5174.2-53.20000109.7Q536Q536-S538 PolarHBondContact O-N 3.25Å
539P70Confident52.7Low116 Ų116154.5 Ų154.575%0.75379%0.793SS**PPolyproline II helixtrans-60.1143.4178.425.5-33.9000110.1R541P539-R541 PolarHBondContact O-N 3.31Å
540P69Low52.6Low126 Ų126147.1 Ų147.182%0.81878%0.784SS**PPolyproline II helixtrans-61.4128.2-177.425.2-33.6000110.2
541R59.1Low52.6Low220 Ų220147.6 Ų147.683%0.8378%0.782SS**PPolyproline II helixtrans-59.8131.1173.5-140172.5-169.9-1054.5108.1P539P539-R541 PolarHBondContact O-N 3.31Å
542P68.2Low52.9Low106 Ų106149.8 Ų149.869%0.68878%0.784SS**PPolyproline II helixtrans-60.2147.9177.725.4-33.9000110.2V544P542-V544 PolarHBondContact O-N 3.01Å
543P60.4Low53.4Low116 Ų116146.6 Ų146.675%0.75378%0.777SS**PPolyproline II helixtrans-61.3126.7-179.725.9-33.7000109.6T545P543-T545 PolarHBondContact O-N 3.34Å
544V51.1Low53.9Low121 Ų121140.3 Ų140.373%0.73377%0.767SS**  trans-65.4102.5166.8-88.80000108.2P542 S546P542-V544 PolarHBondContact O-N 3.01Å; V544-S546 PolarHBondContact O-N 3.45Å; V544-S546 VanDerWaalsContact O-N 3.16Å
545T48.6Very low54.5Low108 Ų108136.8 Ų136.866%0.66376%0.757SS**  trans-63.9114.4167.347.70000107.7P543 D547P543-T545 PolarHBondContact O-N 3.34Å; T545-D547 PolarHBondContact O-N 3.16Å; T545-D547 PolarHBondContact OG1-OD2 2.84Å
546S45.2Very low55.3Low105 Ų105133 Ų13373%0.73475%0.749SS**  trans-76.262.9178-64.30000110.4V544 K548V544-S546 PolarHBondContact O-N 3.45Å; V544-S546 VanDerWaalsContact O-N 3.16Å; S546-K548 VanDerWaalsContact C-N 3.29Å; S546-K548 PolarHBondContact O-N 2.88Å
547D44Very low55.6Low130 Ų130131.8 Ų131.870%0.69575%0.747SS**  trans-69.191.6171.7-75.3-48.5000108.9T545 Q549T545-D547 PolarHBondContact O-N 3.16Å; T545-D547 PolarHBondContact OG1-OD2 2.84Å; D547-Q549 PolarHBondContact O-N 2.8Å
548K46Very low55.5Low201 Ų201130.4 Ų130.487%0.87474%0.74SS**  trans-68.263.8167.7-65.4179.3179.5178.30109.8S546 A550S546-K548 VanDerWaalsContact C-N 3.29Å; S546-K548 PolarHBondContact O-N 2.88Å; K548-A550 PolarHBondContact O-N 2.92Å; K548-A550 VanDerWaalsContact O-N 3.11Å
549Q41.5Very low55.6Low172 Ų172128.1 Ų128.180%0.80473%0.728SS**  trans-66.4110.3159.5-75.8-167.71.200107.2D547 T551D547-Q549 PolarHBondContact O-N 2.8Å; Q549-T551 PolarHBondContact O-N 2.83Å
550A44.1Very low55Low87 Ų87125.4 Ų125.472%0.71972%0.715SS**  trans-62.1101.4171.400000108K548 I552K548-A550 PolarHBondContact O-N 2.92Å; K548-A550 VanDerWaalsContact O-N 3.11Å; A550-I552 PolarHBondContact O-N 3.11Å
551T43.4Very low54.6Low127 Ų127122.4 Ų122.478%0.77970%0.701SS**  trans-66.289.6165.142.60000107.4Q549 K553Q549-T551 PolarHBondContact O-N 2.83Å; T551-K553 VanDerWaalsContact C-N 3.28Å; T551-K553 PolarHBondContact O-N 2.83Å
552I55.2Low54.5Low154 Ų154114.7 Ų114.779%0.7968%0.684SS**  trans-58.198.7167.5-63169000105.5A550A550-I552 PolarHBondContact O-N 3.11Å
553K57Low54Low181 Ų181112.1 Ų112.179%0.78767%0.672SS**PPolyproline II helixtrans-57.7123.4168.5-69-177.1177.3-176.20105.6T551 D555T551-K553 VanDerWaalsContact C-N 3.28Å; T551-K553 PolarHBondContact O-N 2.83Å; K553-D555 PolarHBondContact O-N 3.22Å
554P58.6Low53.9Low107 Ų107109.4 Ų109.470%0.69566%0.659SS**PPolyproline II helixtrans-61.5126.7177.625.4-32.8000108.1
555D65.1Low54.4Low120 Ų120106.3 Ų106.364%0.64265%0.647SS**PPolyproline II helixtrans-54.8131.1177.9-88.2-43.6000109.5K553 L557 S558K553-D555 PolarHBondContact O-N 3.22Å; D555-L557 PolarHBondContact O-N 2.89Å; D555-S558 PolarHBondContact O-N 3Å
556P64.2Low55Low107 Ų107107 Ų10770%0.69565%0.646SS**Hα-helixtrans-61-19.8-176.323.3-33.2000112.8A560P556-A560 WeakPolarHBondContact O-CB 3.47Å; P556-A560 PolarHBondContact O-N 3.26Å
557L58.6Low55.7Low143 Ų143107.1 Ų107.175%0.74964%0.637SS**Hα-helixtrans-71.1-33.1173.1-70.4169.5000113.5D555 A561D555-L557 PolarHBondContact O-N 2.89Å; L557-A561 PolarHBondContact O-N 2.99Å
558S60.5Low56.4Low83 Ų83104 Ų10458%0.5863%0.63SS**Hα-helixtrans-73.3-40.9179.8-172.30000111.4D555 A560 A561 A562D555-S558 PolarHBondContact O-N 3Å; S558-A560 PolarHBondContact O-N 3.07Å; S558-A561 PolarHBondContact O-N 3.39Å; S558-A562 PolarHBondContact O-N 3.32Å
559A57.6Low57Low61 Ų6197.6 Ų97.650%0.50461%0.614SS.*Hα-helixtrans-63.6-39173.800000112.4A562 A563A559-A562 PolarHBondContact O-N 3.06Å; A559-A563 PolarHBondContact O-N 3.49Å; A559-A563 VanDerWaalsContact O-N 3.07Å
560A56.9Low57.8Low59 Ų5992.4 Ų92.449%0.48860%0.601SS.*Hα-helixtrans-65.5-40.2174.900000112.6P556 S558 A563 A564P556-A560 WeakPolarHBondContact O-CB 3.47Å; P556-A560 PolarHBondContact O-N 3.26Å; S558-A560 PolarHBondContact O-N 3.07Å; A560-A563 PolarHBondContact O-N 3.47Å; A560-A564 WeakPolarHBondContact O-CB 3.47Å; A560-A564 PolarHBondContact O-N 3.06Å
561A60.8Low58.5Low62 Ų6294 Ų9451%0.51260%0.596SS.*Hα-helixtrans-64.5-40.9175.900000112.5L557 S558 A564 A565L557-A561 PolarHBondContact O-N 2.99Å; S558-A561 PolarHBondContact O-N 3.39Å; A561-A564 PolarHBondContact O-N 3.32Å; A561-A565 PolarHBondContact O-N 3.47Å
562A57.9Low59.1Low58 Ų5890.5 Ų90.548%0.47959%0.586SS.*Hα-helixtrans-65.1-39.5175.500000112.5S558 A559 A565 N566S558-A562 PolarHBondContact O-N 3.32Å; A559-A562 PolarHBondContact O-N 3.06Å; A562-A565 PolarHBondContact O-N 3.04Å; A562-N566 PolarHBondContact O-N 3.37Å
563A58Low59.1Low53 Ų5386.5 Ų86.544%0.43858%0.576SS.*Hα-helixtrans-65.2-40.8174.600000112.3A559 A560 N566 I567A559-A563 PolarHBondContact O-N 3.49Å; A559-A563 VanDerWaalsContact O-N 3.07Å; A560-A563 PolarHBondContact O-N 3.47Å; A563-N566 PolarHBondContact O-N 3.03Å; A563-I567 PolarHBondContact O-N 3.34Å
564A58Low58.9Low59 Ų5982.4 Ų82.449%0.48857%0.566SS.*Hα-helixtrans-64.8-39.1176.800000112.7A560 A561 N566 I567 A568A560-A564 WeakPolarHBondContact O-CB 3.47Å; A560-A564 PolarHBondContact O-N 3.06Å; A561-A564 PolarHBondContact O-N 3.32Å; A564-N566 PolarHBondContact O-N 3.49Å; A564-I567 PolarHBondContact O-N 3.33Å; A564-A568 PolarHBondContact O-N 3.45Å
565A61.1Low58.6Low56 Ų5684.4 Ų84.446%0.46357%0.571SS.*Hα-helixtrans-63-40.5177.400000112.8A561 A562 I567 A568 A569A561-A565 PolarHBondContact O-N 3.47Å; A562-A565 PolarHBondContact O-N 3.04Å; A565-I567 PolarHBondContact O-N 3.13Å; A565-A568 PolarHBondContact O-N 3.37Å; A565-A569 PolarHBondContact O-N 3.31Å
566N61.7Low58Low121 Ų12183.7 Ų83.765%0.64758%0.575SS**Hα-helixtrans-66.3-35.7177.2-77.2-25.2000112.8A562 A563 A564 A570A562-N566 PolarHBondContact O-N 3.37Å; A563-N566 PolarHBondContact O-N 3.03Å; A564-N566 PolarHBondContact O-N 3.49Å; N566-A570 PolarHBondContact O-N 3.49Å; N566-A570 VanDerWaalsContact O-N 3.13Å
567I58.9Low57.4Low109 Ų10984 Ų8456%0.55958%0.58SS**Hα-helixtrans-70-38.8175.1-63.8169000110.7A563 A564 A565 A570 L571A563-I567 PolarHBondContact O-N 3.34Å; A564-I567 PolarHBondContact O-N 3.33Å; A565-I567 PolarHBondContact O-N 3.13Å; I567-A570 PolarHBondContact O-N 2.97Å; I567-L571 HydrophobicContact CG2-CD1 4.04Å; I567-L571 WeakPolarHBondContact O-CG 3.44Å; I567-L571 PolarHBondContact O-N 3.1Å; I567-L571 VanDerWaalsContact O-N 3.1Å
568A58.4Low57Low65 Ų6580.5 Ų80.554%0.53758%0.579SS.*Hα-helixtrans-64.5-40.2175.300000112.7A564 A565 L571 G572A564-A568 PolarHBondContact O-N 3.45Å; A565-A568 PolarHBondContact O-N 3.37Å; A568-L571 PolarHBondContact O-N 3.38Å; A568-G572 PolarHBondContact O-N 2.96Å
569A60.6Low56.1Low66 Ų6686.8 Ų86.855%0.54560%0.596SS.*Hα-helixtrans-63.8-41.1174.800000112.3A565 L571 G572 A573A565-A569 PolarHBondContact O-N 3.31Å; A569-L571 VanDerWaalsContact C-N 3.34Å; A569-L571 PolarHBondContact O-N 3.39Å; A569-G572 PolarHBondContact O-N 3.23Å; A569-A573 PolarHBondContact O-N 3.46Å
570A57.8Low55.5Low63 Ų6388.7 Ų88.752%0.52161%0.611SS.*Hα-helixtrans-65.8-33.117700000113.4N566 I567N566-A570 PolarHBondContact O-N 3.49Å; N566-A570 VanDerWaalsContact O-N 3.13Å; I567-A570 PolarHBondContact O-N 2.97Å
571L57.8Low54.8Low119 Ų11995.6 Ų95.662%0.62366%0.656SS**Hα-helixtrans-83.9-23.2176.9-68.3170.9000113.6I567 A568 A569 T574I567-L571 HydrophobicContact CG2-CD1 4.04Å; I567-L571 WeakPolarHBondContact O-CG 3.44Å; I567-L571 PolarHBondContact O-N 3.1Å; I567-L571 VanDerWaalsContact O-N 3.1Å; A568-L571 PolarHBondContact O-N 3.38Å; A569-L571 VanDerWaalsContact C-N 3.34Å; A569-L571 PolarHBondContact O-N 3.39Å; L571-T574 PolarHBondContact O-OG1 3.39Å
572G56.3Low54.5Low54 Ų5497.3 Ų97.356%0.55766%0.663SS**Hα-helixtrans-75.7-31174.100000113.6A568 A569 T574A568-G572 PolarHBondContact O-N 2.96Å; A569-G572 PolarHBondContact O-N 3.23Å; G572-T574 VanDerWaalsContact C-N 3.33Å; G572-T574 PolarHBondContact O-N 3.4Å
573A54.8Low54.3Low70 Ų7099.4 Ų99.458%0.57967%0.673SS**G310 helixtrans-73.8-15.7-17500000114.9A569A569-A573 PolarHBondContact O-N 3.46Å
574T53.3Low54.1Low96 Ų96101.9 Ų101.959%0.58969%0.686SS**G310 helixtrans-88.90.4-173.556.70000115L571 G572L571-T574 PolarHBondContact O-OG1 3.39Å; G572-T574 VanDerWaalsContact C-N 3.33Å; G572-T574 PolarHBondContact O-N 3.4Å
575N51.8Low53.9Low149 Ų149104.5 Ų104.580%0.79770%0.697SS**G310 helixtrans-1095.9-173.2-81.4-17.2000115.3
576S52.2Low53.4Low104 Ų104107.5 Ų107.573%0.72771%0.712SS**SBendtrans-108.5-5.4-174.660.50000116
577S52.6Low52.9Low114 Ų114106.6 Ų106.680%0.79772%0.716SS**SBendtrans-104.675.1-177.962.90000112.7
578G49.8Very low52.4Low70 Ų70106.4 Ų106.472%0.72273%0.728SS**SBendtrans-177.437.1-177.300000118
579K42.3Very low52Low215 Ų215109.6 Ų109.694%0.93574%0.742SS**  trans-167.184170.6-114.5169.9-174178.30113
580A44.8Very low51.3Low100 Ų100113.3 Ų113.383%0.82676%0.759SS**  trans-163.8123.4161.200000111.2
581S41.6Very low50.7Low205 Ų205117.8 Ų117.8100%1.43478%0.78SS**  trans67.90178.5-117.60000119.2

Retrieved 581 of 581 residues in 107.9 ms (Link to these results)