A0A087Y924_POEFO Loading...

Forkhead box P2

AlphaFold DB , UniProt , Accession A0A087Y924, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 769 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
1M33.5Very low30.5Very low230 Ų230149.8 Ų149.8100%1.13383%0.826SS**  0147.30-58172.1-167.800106.9
2M33.8Very low30.2Very low181 Ų181150.7 Ų150.789%0.89283%0.829SS**  trans57.5121.1171.7-64.8150.2176.800115.7
3Q28.8Very low29.8Very low176 Ų176148.6 Ų148.682%0.82283%0.832SS**  cis84.3148.129.9-158.8169.9-11.800114.1
4E33.4Very low29.7Very low174 Ų174146.2 Ų146.281%0.81383%0.83SS**  trans83.3124.6178.3-47.9-165.1126.600114.7
5S33.1Very low29.5Very low119 Ų119147.9 Ų147.983%0.83283%0.831SS**  cis98.394.79.7-51.20000117.7
6A30.2Very low29.4Very low88 Ų88143.8 Ų143.873%0.72782%0.815SS**  trans-167.2136.9139.400000107.2
7T30.8Very low29.5Very low124 Ų124144.4 Ų144.476%0.76181%0.809SS**  cis78137.726.171.50000116.7
8E29.7Very low29.4Very low174 Ų174144.6 Ų144.681%0.81381%0.808SS**  trans77.8145.6171.4-51.4-156.3106.800116.9
9T30.1Very low29.3Very low112 Ų112141.3 Ų141.369%0.68781%0.81SS**  cis-150.6158.7-13.59.70000113.5
10I27.3Very low29.2Very low150 Ų150143 Ų14377%0.76981%0.813SS**  trans-10.5132.7154.4-58.6158.6000117.7
11S24.7Very low29.2Very low120 Ų120140.8 Ų140.884%0.83981%0.806SS**  -168.6129.1128.2-85.20000114.2
12N26.6Very low28.9Very low160 Ų160135.4 Ų135.486%0.85679%0.786SS**  trans-91.6143.9162.7-100.5-12.8000109.3
13S25.4Very low28.6Very low124 Ų124134 Ų13487%0.86778%0.782SS**  trans-167.7143.8138.2-850000111.8
14S27.9Very low28.5Very low115 Ų115131.5 Ų131.580%0.80478%0.784SS**  trans-102.1-171.5176-55.20000110.8
15M27.7Very low28.2Very low172 Ų172128.4 Ų128.485%0.84778%0.781SS**  trans85.7147.6173.5-57.8-17564.700115.8
16S28.1Very low28Very low82 Ų82128 Ų12857%0.57378%0.779SS**  cis-169.6157.6-18.7-101.60000111.7
17Q30.3Very low28.1Very low154 Ų154132.1 Ų132.172%0.7278%0.783SS**  trans67.3123.8146.6-74.2177.847.800122
18N28.1Very low28.2Very low148 Ų148132.6 Ų132.679%0.79178%0.78SS**  66.5116.4126.6-55.4-12.2000121.6
19G27.6Very low28.1Very low82 Ų82131.6 Ų131.685%0.84578%0.775SS**  trans-141.5141.3148.300000109.1
20M27.5Very low28.2Very low174 Ų174130.2 Ų130.286%0.85778%0.775SS**  trans-141.4155-170.8-172.3-179.772.800112.1
21S28.9Very low28.2Very low98 Ų98126.7 Ų126.769%0.68578%0.776SS**  trans86.4151172.5-28.90000114.2
22T27.6Very low28.5Very low116 Ų116125.5 Ų125.571%0.71277%0.767SS**  cis-142.5137.416.346.30000115.3
23L27.4Very low28.9Very low151 Ų151128.6 Ų128.679%0.79177%0.767SS**  47119.4129.5-54.8171000122.6
24S26.5Very low29Very low124 Ų124130.4 Ų130.487%0.86777%0.767SS**  174.2160.8123.2-76.70000111.6
25S27Very low29.3Very low109 Ų109128.3 Ų128.376%0.76276%0.763SS**  -177.591.6-60.5-94.40000110.8
26S29.6Very low29.4Very low111 Ų111132.3 Ų132.378%0.77677%0.769SS**  trans-166.8117.9163450000108.1
27Q31.6Very low29.7Very low174 Ų174134.1 Ų134.181%0.81378%0.782SS**  60.6129.357.8-64.4-158.1-55.600113.3
28L33.3Very low29.6Very low134 Ų134132.4 Ų132.470%0.70279%0.787SS**  cis-152.4179.7-7.9-101.1176.8000107.2
29E27.9Very low29.9Very low154 Ų154130.3 Ų130.372%0.7279%0.79SS**  cis-137.9-144.215.3-140.4-56.8100.100110.8
30A31.1Very low30Very low83 Ų83130 Ų13069%0.68679%0.787SS**  trans-149.8-173.4-162.400000114.1
31G27.5Very low30.1Very low75 Ų75129.7 Ų129.777%0.77379%0.789SS**  trans144.8122171.800000115.8
32S30.4Very low30.7Very low95 Ų95131.8 Ų131.866%0.66480%0.797SS**  cis-178128.4-47.1169.90000109.6
33R34.7Very low30.9Very low226 Ų226131.1 Ų131.185%0.85380%0.798SS**  trans67.7163.1161.7-67.6167.5-163.5-1732.1116.7
34D29.3Very low31.4Very low161 Ų161129.1 Ų129.186%0.86180%0.797SS**  cis-121.3172.58.2-92-58.8000113.6
35G33.7Very low32Very low71 Ų71132 Ų13273%0.73280%0.796SS**  trans-151.8150.7171.900000113.3
36R30.5Very low33Very low256 Ų256131.6 Ų131.697%0.96679%0.789SS**  trans-157.6143.8175-138.2172.8174.6-146.2-4.6111.5
37S34Very low33.9Very low121 Ų121128.9 Ų128.985%0.84677%0.77SS**  trans-109.7154.8-166.4-37.20000113.4
38S27.3Very low34.9Very low118 Ų118126.2 Ų126.283%0.82577%0.766SS**  175.7132.3121.6-1670000114
39A35.6Very low36Very low103 Ų103123.8 Ų123.885%0.85176%0.756SS**  trans21.8131154.700000122.9
40G28.8Very low37.2Very low76 Ų76122 Ų12278%0.78475%0.748SS**  trans-176.4113.7160.500000112.9
41D29Very low38.7Very low168 Ų168123.5 Ų123.590%0.89874%0.744SS**  trans23.3129.1171.5-66.4-31.7000123
42T42Very low40.3Very low141 Ų141125.6 Ų125.687%0.86574%0.737SS**  trans-89.8112.6164.752.60000111.6
43S31.3Very low42Very low103 Ų103126.8 Ų126.872%0.7273%0.731SS**  trans-133.684.4166.5-177.70000110.5E45S43-E45 PolarHBondContact O-N 2.93Å; S43-E45 VanDerWaalsContact O-N 3.07Å
44S39Very low43.9Very low109 Ų109121 Ų12176%0.76272%0.717SS**  trans-73.895.4-179.6-53.50000111.2V46S44-V46 PolarHBondContact O-N 3.11Å
45E38.1Very low45.9Very low183 Ų183119.1 Ų119.186%0.85570%0.703SS**  trans-68.990.3171.7-63.9-163.6128.200110.5S43 S47S43-E45 PolarHBondContact O-N 2.93Å; S43-E45 VanDerWaalsContact O-N 3.07Å; E45-S47 PolarHBondContact O-N 3.24Å
46V47.4Very low47.8Very low101 Ų101121.9 Ų121.961%0.61270%0.697SS**  trans-57.3121.3175.4176.10000109.4S44 E50S44-V46 PolarHBondContact O-N 3.11Å; V46-E50 HydrophobicContact CG1-CB 4.36Å
47S49.9Very low50Low55 Ų55115.2 Ų115.239%0.38568%0.677SS.*  trans-68.7141.1-172.6-179.50000110.9E45 V49 E50 L51E45-S47 PolarHBondContact O-N 3.24Å; S47-V49 PolarHBondContact O-N 3.16Å; S47-V49 PolarHBondContact OG-N 2.9Å; S47-E50 PolarHBondContact N-OE2 2.89Å; S47-E50 VanDerWaalsContact N-OE2 3.17Å; S47-E50 WeakPolarHBondContact O-CB 3.36Å; S47-E50 PolarHBondContact O-N 3.16Å; S47-L51 PolarHBondContact O-N 2.79Å
48T52.3Low52Low118 Ų118115.1 Ų115.172%0.72466%0.663SS**Hα-helixtrans-58.5-22.8175.754.90000112.5L52T48-L52 WeakPolarHBondContact O-CB 3.45Å; T48-L52 PolarHBondContact O-N 2.99Å; T48-L52 VanDerWaalsContact O-N 3.09Å
49V55.6Low53.8Low82 Ų82112.3 Ų112.350%0.49765%0.647SS.*Hα-helixtrans-71.7-34.5174.1-178.10000112.4S47 H53S47-V49 PolarHBondContact O-N 3.16Å; S47-V49 PolarHBondContact OG-N 2.9Å; V49-H53 PolarHBondContact O-N 3.16Å; V49-H53 PolarHBondContact O-ND1 3.08Å
50E53.5Low55.7Low116 Ų116113 Ų11354%0.54264%0.636SS.*Hα-helixtrans-73-42.2175.5-65.4179.4115.100110.7V46 S47 L52 H53 L54V46-E50 HydrophobicContact CG1-CB 4.36Å; S47-E50 PolarHBondContact N-OE2 2.89Å; S47-E50 VanDerWaalsContact N-OE2 3.17Å; S47-E50 WeakPolarHBondContact O-CB 3.36Å; S47-E50 PolarHBondContact O-N 3.16Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.2Å; E50-H53 PolarHBondContact O-N 3.48Å; E50-H53 VanDerWaalsContact O-N 3.17Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 3.29Å
51L62.3Low57.6Low116 Ų116114.9 Ų114.961%0.60762%0.624SS**Hα-helixtrans-61.2-37174.8-167.169.1000111.5S47 Q55S47-L51 PolarHBondContact O-N 2.79Å; L51-Q55 VanDerWaalsContact O-CB 3.28Å; L51-Q55 WeakPolarHBondContact O-CB 3.4Å; L51-Q55 PolarHBondContact O-N 3.23Å
52L61.9Low59.3Low119 Ų119109.3 Ų109.362%0.62360%0.601SS**Hα-helixtrans-66.1-43.8173.5-167.377.6000112.2T48 E50 Q55 Q56T48-L52 WeakPolarHBondContact O-CB 3.45Å; T48-L52 PolarHBondContact O-N 2.99Å; T48-L52 VanDerWaalsContact O-N 3.09Å; E50-L52 VanDerWaalsContact C-N 3.26Å; E50-L52 PolarHBondContact O-N 3.2Å; L52-Q55 PolarHBondContact O-N 2.75Å; L52-Q56 WeakPolarHBondContact O-CB 3.26Å; L52-Q56 PolarHBondContact O-N 3.43Å
53H65.2Low60.1Low119 Ų119105 Ų10555%0.55158%0.58SS**Hα-helixtrans-63.4-43.6175.7-84.987.5000112V49 E50 Q56 Q57V49-H53 PolarHBondContact O-N 3.16Å; V49-H53 PolarHBondContact O-ND1 3.08Å; E50-H53 PolarHBondContact O-N 3.48Å; E50-H53 VanDerWaalsContact O-N 3.17Å; H53-Q56 PolarHBondContact O-N 2.93Å; H53-Q57 WeakPolarHBondContact O-CB 3.46Å; H53-Q57 PolarHBondContact O-N 2.65Å
54L74.6Confident61.6Low104 Ų104109.6 Ų109.655%0.54558%0.582SS.*Hα-helixtrans-62.7-44177.1-172.463.8000111E50 Q56 Q57 Q58E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 3.29Å; L54-Q56 VanDerWaalsContact C-N 3.31Å; L54-Q56 PolarHBondContact O-N 3.03Å; L54-Q57 PolarHBondContact O-N 3.02Å; L54-Q58 WeakPolarHBondContact O-CB 3.1Å; L54-Q58 PolarHBondContact O-N 3.38Å
55Q71.8Confident62.9Low122 Ų122110.7 Ų110.757%0.5758%0.575SS**Hα-helixtrans-59.6-40.1175-177.968.7100.400112.2L51 L52 A59L51-Q55 VanDerWaalsContact O-CB 3.28Å; L51-Q55 WeakPolarHBondContact O-CB 3.4Å; L51-Q55 PolarHBondContact O-N 3.23Å; L52-Q55 PolarHBondContact O-N 2.75Å; Q55-A59 PolarHBondContact O-N 3.41Å
56Q73.9Confident63.9Low129 Ų129108.5 Ų108.560%0.60357%0.568SS**Hα-helixtrans-74.7-37.5178.7-176.5156.190.500112.7L52 H53 L54 A59 L60L52-Q56 WeakPolarHBondContact O-CB 3.26Å; L52-Q56 PolarHBondContact O-N 3.43Å; H53-Q56 PolarHBondContact O-N 2.93Å; L54-Q56 VanDerWaalsContact C-N 3.31Å; L54-Q56 PolarHBondContact O-N 3.03Å; Q56-A59 PolarHBondContact O-N 2.72Å; Q56-L60 PolarHBondContact O-N 2.82Å; Q56-L60 VanDerWaalsContact O-N 3.07Å
57Q75.9Confident64.1Low116 Ų116110.6 Ų110.654%0.54258%0.575SS.*Hα-helixtrans-66.6-40.1175.4-170.1173.952.600111.5H53 L54 A59 L60 Q61H53-Q57 WeakPolarHBondContact O-CB 3.46Å; H53-Q57 PolarHBondContact O-N 2.65Å; L54-Q57 PolarHBondContact O-N 3.02Å; Q57-A59 VanDerWaalsContact C-N 3.35Å; Q57-A59 PolarHBondContact O-N 2.91Å; Q57-L60 PolarHBondContact O-N 3.13Å; Q57-Q61 WeakPolarHBondContact O-CG 3.41Å; Q57-Q61 PolarHBondContact O-N 3.14Å
58Q76Confident64.2Low120 Ų120114.8 Ų114.856%0.56159%0.593SS**Hα-helixtrans-64.2-38.3175-163.7175.642.400111.8L54 Q61 A62L54-Q58 WeakPolarHBondContact O-CB 3.1Å; L54-Q58 PolarHBondContact O-N 3.38Å; Q58-Q61 PolarHBondContact O-N 3.5Å; Q58-A62 PolarHBondContact O-N 3.25Å
59A65.4Low64Low59 Ų59116.8 Ų116.849%0.48859%0.594SS.*Hα-helixtrans-64.3-40.2173.300000112.7Q55 Q56 Q57 A62 A63Q55-A59 PolarHBondContact O-N 3.41Å; Q56-A59 PolarHBondContact O-N 2.72Å; Q57-A59 VanDerWaalsContact C-N 3.35Å; Q57-A59 PolarHBondContact O-N 2.91Å; A59-A62 PolarHBondContact O-N 2.89Å; A59-A63 PolarHBondContact O-N 2.87Å
60L75.3Confident63.3Low118 Ų118120.7 Ų120.762%0.61861%0.606SS**Hα-helixtrans-65.6-36.9174.5-89.1162000112.8Q56 Q57 A63 R64Q56-L60 PolarHBondContact O-N 2.82Å; Q56-L60 VanDerWaalsContact O-N 3.07Å; Q57-L60 PolarHBondContact O-N 3.13Å; L60-A63 PolarHBondContact O-N 3.24Å; L60-R64 PolarHBondContact O-N 3.35Å; L60-R64 VanDerWaalsContact O-N 3.11Å
61Q69.1Low62.7Low115 Ų115120.7 Ų120.754%0.53762%0.617SS.*Hα-helixtrans-69-34.9174.2-73179.8-9.800112.8Q57 Q58 R64 Q65Q57-Q61 WeakPolarHBondContact O-CG 3.41Å; Q57-Q61 PolarHBondContact O-N 3.14Å; Q58-Q61 PolarHBondContact O-N 3.5Å; Q61-R64 PolarHBondContact O-N 3.12Å; Q61-Q65 PolarHBondContact O-N 2.59Å; Q61-Q65 PolarHBondContact O-NE2 2.89Å
62A65.7Low61.9Low50 Ų50119.1 Ų119.141%0.41363%0.628SS.*Hα-helixtrans-67-43.3172.900000111.9Q58 A59 R64 Q65 L66Q58-A62 PolarHBondContact O-N 3.25Å; A59-A62 PolarHBondContact O-N 2.89Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 3.23Å; A62-Q65 PolarHBondContact O-N 3.18Å; A62-L66 PolarHBondContact O-N 3.07Å
63A57.2Low60.5Low52 Ų52119.1 Ų119.143%0.4364%0.638SS.*Hα-helixtrans-60.5-37.1175.600000112.6A59 L60 L66 L67A59-A63 PolarHBondContact O-N 2.87Å; L60-A63 PolarHBondContact O-N 3.24Å; A63-L66 PolarHBondContact O-N 3.44Å; A63-L67 PolarHBondContact O-N 2.81Å
64R63.9Low59.2Low198 Ų198117 Ų11775%0.74765%0.649SS**Hα-helixtrans-64.9-36.5176.1-116.6176.8178.1162.5-0.5113.4L60 Q61 A62 L67 L68L60-R64 PolarHBondContact O-N 3.35Å; L60-R64 VanDerWaalsContact O-N 3.11Å; Q61-R64 PolarHBondContact O-N 3.12Å; A62-R64 VanDerWaalsContact C-N 3.29Å; A62-R64 PolarHBondContact O-N 3.23Å; R64-L67 PolarHBondContact O-N 3.06Å; R64-L68 PolarHBondContact O-N 3.5Å
65Q66.3Low57.2Low132 Ų132119.4 Ų119.462%0.61766%0.662SS**Hα-helixtrans-70.6-40.7177.3-76168.685.300112.1Q61 A62 L67 L68Q61-Q65 PolarHBondContact O-N 2.59Å; Q61-Q65 PolarHBondContact O-NE2 2.89Å; A62-Q65 PolarHBondContact O-N 3.18Å; Q65-L67 PolarHBondContact O-N 3.46Å; Q65-L68 PolarHBondContact O-N 3.14Å; Q65-L68 VanDerWaalsContact O-N 3.1Å
66L59.5Low55.3Low137 Ų137122.9 Ų122.972%0.71768%0.675SS**Hα-helixtrans-59.5-35.1174.8-80.6162.1000112.8A62 A63 L68 Q69A62-L66 PolarHBondContact O-N 3.07Å; A63-L66 PolarHBondContact O-N 3.44Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.15Å; L66-Q69 PolarHBondContact O-N 2.78Å
67L51.9Low53.1Low145 Ų145122.3 Ų122.376%0.75969%0.685SS**Hα-helixtrans-73.1-19.1177.9-119.4160.2000113.8A63 R64 Q65A63-L67 PolarHBondContact O-N 2.81Å; R64-L67 PolarHBondContact O-N 3.06Å; Q65-L67 PolarHBondContact O-N 3.46Å
68L51.5Low50.9Low144 Ų144122.3 Ų122.375%0.75470%0.695SS**THydrogen-bonded Turntrans-90.7-3.3178-73.9165000113.6R64 Q65 L66R64-L68 PolarHBondContact O-N 3.5Å; Q65-L68 PolarHBondContact O-N 3.14Å; Q65-L68 VanDerWaalsContact O-N 3.1Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 PolarHBondContact O-N 3.15Å
69Q46.9Very low48.5Very low159 Ų159126.6 Ų126.674%0.74371%0.712SS**  trans-93.5-0.8-175.7-148.883.2103.100114.3L66 P71L66-Q69 PolarHBondContact O-N 2.78Å; Q69-P71 WeakPolarHBondContact O-CD 3.44Å
70Q41.7Very low46.7Very low164 Ų164129.3 Ų129.377%0.76673%0.727SS**PPolyproline II helixtrans-78.1117.2178.3-74.7-75.286.200111.2G72Q70-G72 PolarHBondContact O-N 2.9Å
71P41.2Very low44.4Very low117 Ų117132.5 Ų132.576%0.7674%0.739SS**PPolyproline II helixtrans-74.3120.6178.5-13.630000111.1Q69Q69-P71 WeakPolarHBondContact O-CD 3.44Å
72G44.9Very low42.4Very low82 Ų82132.6 Ų132.685%0.84574%0.743SS**PPolyproline II helixtrans-89.2118.9169.200000111.5Q70Q70-G72 PolarHBondContact O-N 2.9Å
73S33Very low40.6Very low119 Ų119138.2 Ų138.283%0.83276%0.758SS**  trans-143.3101.8168.951.10000110.8
74G38.1Very low39.2Very low76 Ų76143.9 Ų143.978%0.78478%0.776SS**  trans-94.1139.9178.600000112.6
75L31.9Very low37.5Very low154 Ų154145.7 Ų145.781%0.80678%0.783SS**  trans-136.2109.5168.6-74.3178.6000112.1
76K31Very low36.1Very low194 Ų194144.2 Ų144.284%0.84379%0.785SS**  trans39.2117131.4-56.6177.7-176.5179.90118.4
77S29.2Very low34.6Very low117 Ų117145.5 Ų145.582%0.81879%0.791SS**PPolyproline II helixtrans-64.4143.8168.5164.70000114
78P28.3Very low33.5Very low117 Ų117147.3 Ų147.376%0.7680%0.796SS**PPolyproline II helixtrans-103.5165.4153.536.6-29000113.3
79K26Very low32.3Very low209 Ų209147.2 Ų147.291%0.90980%0.801SS**PPolyproline II helixtrans-74.7164.9-174.3-88.5176.5170.61780115.3
80S28.6Very low31.6Very low117 Ų117145.1 Ų145.182%0.81880%0.801SS**PPolyproline II helixtrans-63.1151.3-177-31.40000116.2
81Q26.5Very low31.1Very low184 Ų184143.7 Ų143.786%0.8680%0.803SS**  trans-154.9126.3139.7-125.6176.23.900112.9
82D26.8Very low30.8Very low118 Ų118142.8 Ų142.863%0.63180%0.8SS**  trans44138.1147-91.5-118.8000126.2
83K28.3Very low30.8Very low167 Ų167146.6 Ų146.673%0.72681%0.806SS**  trans96.4103.9141.3-74.3155.6-174141.10122.3
84Q27.4Very low30.9Very low172 Ų172144.5 Ų144.580%0.80480%0.796SS**  trans77.6114.1130.2-66.9-177.3-17.300121.9
85R28.1Very low31.1Very low236 Ų236150.1 Ų150.189%0.89180%0.804SS**  40.9152.2125.8-72.3-168.3-178.4-173.53.4121.1
86P37.1Very low31.1Very low100 Ų100150.3 Ų150.365%0.64980%0.803SS**  cis-142.7-170.5-42.140.4-21.5000113.2
87L27.6Very low31.5Very low164 Ų164145 Ų14586%0.85979%0.79SS**  trans77.4140.6157.6-66.1169.4000121.4
88Q30Very low31.9Very low184 Ų184145.7 Ų145.786%0.8679%0.792SS**  trans71.699.3145.6-164.5164.787.500120.2
89V26.8Very low32.1Very low142 Ų142146.8 Ų146.886%0.86179%0.787SS**  trans-129.1126.8152.9-174.80000108.8
90P31.8Very low33.1Very low114 Ų114143.2 Ų143.274%0.7478%0.782SS**  trans-88.2168.1-175.935.1-36.2000114.1
91V31.7Very low34.2Very low134 Ų134143.1 Ų143.181%0.81277%0.772SS**  trans-70.4151.8176-167.60000111.8
92S34.7Very low35.6Very low99 Ų99137.6 Ų137.669%0.69275%0.751SS**  trans118.1113.9145.8-49.10000116.2A94S92-A94 PolarHBondContact O-N 3.34Å
93V43.9Very low36.9Very low161 Ų161137.1 Ų137.198%0.97675%0.754SS**  trans-71.4114.6145.8173.50000107.2
94A34.3Very low37.9Very low75 Ų75136.3 Ų136.362%0.6275%0.753SS**  trans-136.7128.2177.300000111.4S92 M96S92-A94 PolarHBondContact O-N 3.34Å; A94-M96 PolarHBondContact O-N 3.3Å
95M43.6Very low39.1Very low194 Ų194133.4 Ų133.496%0.95674%0.739SS**  trans-56.2124179.6-59.7-83-87.800111.1
96M32.3Very low40.4Very low158 Ų158127.9 Ų127.978%0.77873%0.725SS**  trans-117145.4167.7-65.1-163.578.800111.1A94A94-M96 PolarHBondContact O-N 3.3Å
97S38Very low41.5Very low83 Ų83130 Ų13058%0.5873%0.726SS**  trans-60.6160.1172.543.20000111.9Q99S97-Q99 PolarHBondContact O-N 3.04Å
98P38.1Very low42.8Very low132 Ų132128.6 Ų128.686%0.85772%0.715SS**  trans-66.786.1166.629.5-34.5000109.5V100P98-V100 PolarHBondContact O-N 3.31Å
99Q33.2Very low44.1Very low139 Ų139124.8 Ų124.865%0.6570%0.7SS**  trans-58.9125.8169.6-73.9-84.755.700108.7S97 I101S97-Q99 PolarHBondContact O-N 3.04Å; Q99-I101 PolarHBondContact O-N 3.5Å
100V45.8Very low45.3Very low134 Ų134123.5 Ų123.581%0.81269%0.687SS**  trans-68.5102.4168.3-84.60000108.5P98 T102P98-V100 PolarHBondContact O-N 3.31Å; V100-T102 PolarHBondContact O-N 2.87Å
101I52.3Low46.3Very low116 Ų116126.1 Ų126.160%0.59569%0.69SS**  trans-55.4120.8176.1-65.6169.6000108.2Q99 Q105Q99-I101 PolarHBondContact O-N 3.5Å; I101-Q105 HydrophobicContact CG2-CB 3.91Å
102T56.7Low47.3Very low68 Ų68127.8 Ų127.842%0.41769%0.689SS.*  trans-69.4146.2176.157.60000109.4V100 Q104 Q105 M106V100-T102 PolarHBondContact O-N 2.87Å; T102-Q104 PolarHBondContact O-N 3.2Å; T102-Q105 PolarHBondContact O-N 3.07Å; T102-M106 PolarHBondContact O-N 3.49Å
103P54.2Low48Very low108 Ų108129.5 Ų129.570%0.70169%0.686SS**Hα-helixtrans-59.1-23.2-178.221.8-32.7000113.2M106 Q107P103-M106 PolarHBondContact O-N 3.34Å; P103-Q107 PolarHBondContact O-N 3.5Å; P103-Q107 VanDerWaalsContact O-N 3.16Å
104Q49.5Very low48.4Very low150 Ų150128.9 Ų128.970%0.70168%0.682SS**Hα-helixtrans-66.3-40.4173.2-70.1168.4-38.400112.8T102 Q107 Q108T102-Q104 PolarHBondContact O-N 3.2Å; Q104-Q107 PolarHBondContact O-N 3.22Å; Q104-Q108 PolarHBondContact O-N 2.9Å; Q104-Q108 VanDerWaalsContact O-N 3.14Å
105Q51.7Low49.6Very low111 Ų111128.8 Ų128.852%0.51967%0.671SS.*Hα-helixtrans-65.9-39.8174.8-87.5-172.8-38.800112.1I101 T102 Q107 Q108 I109I101-Q105 HydrophobicContact CG2-CB 3.91Å; T102-Q105 PolarHBondContact O-N 3.07Å; Q105-Q107 VanDerWaalsContact C-N 3.28Å; Q105-Q107 PolarHBondContact O-N 3.34Å; Q105-Q108 PolarHBondContact O-N 3.41Å; Q105-I109 WeakPolarHBondContact O-CG1 3.45Å; Q105-I109 PolarHBondContact O-N 2.91Å
106M56Low50.7Low120 Ų120121.5 Ų121.559%0.59164%0.639SS**Hα-helixtrans-59.3-41.4175.1-179.5178.317500111.6T102 P103 L110T102-M106 PolarHBondContact O-N 3.49Å; P103-M106 PolarHBondContact O-N 3.34Å; M106-L110 HydrophobicContact CE-CD1 4.34Å; M106-L110 HydrophobicContact CG-CD1 4.38Å; M106-L110 PolarHBondContact O-N 3.34Å
107Q58.7Low52.4Low144 Ų144119.1 Ų119.167%0.67364%0.635SS**Hα-helixtrans-70.5-30.2-179.5-166.4152.157.500113.1P103 Q104 Q105P103-Q107 PolarHBondContact O-N 3.5Å; P103-Q107 VanDerWaalsContact O-N 3.16Å; Q104-Q107 PolarHBondContact O-N 3.22Å; Q105-Q107 VanDerWaalsContact C-N 3.28Å; Q105-Q107 PolarHBondContact O-N 3.34Å
108Q56.2Low53.8Low134 Ų134122.8 Ų122.863%0.62664%0.643SS**Hα-helixtrans-78.6-34.4176.3-163.4167.18.500112.8Q104 Q105 Q111Q104-Q108 PolarHBondContact O-N 2.9Å; Q104-Q108 VanDerWaalsContact O-N 3.14Å; Q105-Q108 PolarHBondContact O-N 3.41Å; Q108-Q111 PolarHBondContact O-N 3.37Å
109I56.1Low55.1Low105 Ų105121.6 Ų121.654%0.53863%0.626SS.*Hα-helixtrans-64.7-41.1173.8-70.9167.3000111.1Q105 Q111 Q112Q105-I109 WeakPolarHBondContact O-CG1 3.45Å; Q105-I109 PolarHBondContact O-N 2.91Å; I109-Q111 PolarHBondContact O-N 3.08Å; I109-Q112 PolarHBondContact O-N 3.32Å
110L53.3Low57Low115 Ų115119.4 Ų119.460%0.60262%0.618SS**THydrogen-bonded Turntrans-61.5-10.6176.4-88.3165.3000114.8M106M106-L110 HydrophobicContact CE-CD1 4.34Å; M106-L110 HydrophobicContact CG-CD1 4.38Å; M106-L110 PolarHBondContact O-N 3.34Å
111Q52.6Low58.6Low168 Ų168119.1 Ų119.179%0.78561%0.608SS**THydrogen-bonded Turntrans-103.6-7-175.1-162.816094.500114.3Q108 I109Q108-Q111 PolarHBondContact O-N 3.37Å; I109-Q111 PolarHBondContact O-N 3.08Å
112Q52.4Low59.7Low170 Ų170116.3 Ų116.379%0.79460%0.602SS**THydrogen-bonded Turntrans-128.8-6.2-178.4-88.8-175.38400116.2I109I109-Q112 PolarHBondContact O-N 3.32Å
113Q49Very low60.9Low135 Ų135117.4 Ų117.463%0.63161%0.605SS**  trans-129.1116166.3-84-175.6-16.100111.3L115Q113-L115 HydrophobicContact CB-CG 4.42Å; Q113-L115 PolarHBondContact O-N 3.47Å
114V52.3Low62.2Low148 Ų148117.2 Ų117.290%0.89760%0.598SS**  trans-74.471.4160.7-172.10000107.8S116V114-S116 PolarHBondContact O-N 3Å
115L58.9Low63.9Low73 Ų73114.5 Ų114.538%0.38259%0.585SS.*  trans-50.4131.1160.2-77.4158.4000107.3Q113 Q119Q113-L115 HydrophobicContact CB-CG 4.42Å; Q113-L115 PolarHBondContact O-N 3.47Å; L115-Q119 HydrophobicContact CB-CB 4.48Å; L115-Q119 HydrophobicContact CD2-CB 4.23Å
116S68Low65.2Low40 Ų40115.3 Ų115.328%0.2859%0.589SS.*  trans-60.8149.8-17881.40000109.6V114 Q118 Q119 L120V114-S116 PolarHBondContact O-N 3Å; S116-Q118 PolarHBondContact O-N 3.28Å; S116-Q119 WeakPolarHBondContact O-CA 3.17Å; S116-Q119 WeakPolarHBondContact O-CB 3.29Å; S116-Q119 PolarHBondContact O-N 2.74Å; S116-Q119 WeakPolarHBondContact OG-CG 3.21Å; S116-Q119 PolarHBondContact OG-N 3.22Å; S116-L120 PolarHBondContact O-N 3.27Å
117P67.4Low66.2Low108 Ų108115.5 Ų115.570%0.70159%0.588SS**Hα-helixtrans-53-32.2178.1-29.136.1000112.7Q121P117-Q121 VanDerWaalsContact O-CB 3.29Å; P117-Q121 WeakPolarHBondContact O-CB 3.39Å; P117-Q121 PolarHBondContact O-N 3.28Å
118Q67.6Low67.1Low160 Ų160113.4 Ų113.475%0.74858%0.579SS**Hα-helixtrans-68.8-39.8174-66.6170.4-24.600113.2S116 Q121 A122S116-Q118 PolarHBondContact O-N 3.28Å; Q118-Q121 PolarHBondContact O-N 3.17Å; Q118-A122 VanDerWaalsContact O-CB 3.3Å; Q118-A122 WeakPolarHBondContact O-CB 3.36Å; Q118-A122 PolarHBondContact O-N 2.66Å
119Q64.8Low68.1Low108 Ų108109.7 Ų109.751%0.50557%0.57SS.*Hα-helixtrans-65.9-40.6174.3-73.9169.5-29.500111.6L115 S116 A122 L123L115-Q119 HydrophobicContact CB-CB 4.48Å; L115-Q119 HydrophobicContact CD2-CB 4.23Å; S116-Q119 WeakPolarHBondContact O-CA 3.17Å; S116-Q119 WeakPolarHBondContact O-CB 3.29Å; S116-Q119 PolarHBondContact O-N 2.74Å; S116-Q119 WeakPolarHBondContact OG-CG 3.21Å; S116-Q119 PolarHBondContact OG-N 3.22Å; Q119-A122 PolarHBondContact O-N 2.98Å; Q119-L123 WeakPolarHBondContact O-CB 3.2Å; Q119-L123 PolarHBondContact O-N 2.82Å
120L74.1Confident69.5Low92 Ų92108.3 Ų108.348%0.48257%0.567SS.*Hα-helixtrans-66.3-42.8175.2-174.561.9000111.6S116 A122 L123 L124S116-L120 PolarHBondContact O-N 3.27Å; L120-A122 PolarHBondContact O-N 2.92Å; L120-L123 PolarHBondContact O-N 3.5Å; L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 PolarHBondContact O-N 2.97Å
121Q78.3Confident71Confident128 Ų128108.8 Ų108.860%0.59857%0.568SS**Hα-helixtrans-58.2-46173.3-166.37921.600111.3P117 Q118 L124 Q125P117-Q121 VanDerWaalsContact O-CB 3.29Å; P117-Q121 WeakPolarHBondContact O-CB 3.39Å; P117-Q121 PolarHBondContact O-N 3.28Å; Q118-Q121 PolarHBondContact O-N 3.17Å; Q121-L124 PolarHBondContact O-N 3.43Å; Q121-Q125 WeakPolarHBondContact O-CB 3.47Å; Q121-Q125 PolarHBondContact O-N 3.06Å
122A76.8Confident72.5Confident58 Ų58103.4 Ų103.448%0.47954%0.544SS..Hα-helixtrans-64.9-40.8178.900000112.5Q118 Q119 L120 Q125 Q126Q118-A122 VanDerWaalsContact O-CB 3.3Å; Q118-A122 WeakPolarHBondContact O-CB 3.36Å; Q118-A122 PolarHBondContact O-N 2.66Å; Q119-A122 PolarHBondContact O-N 2.98Å; L120-A122 PolarHBondContact O-N 2.92Å; A122-Q125 PolarHBondContact O-N 3.22Å; A122-Q126 VanDerWaalsContact O-CB 3.32Å; A122-Q126 WeakPolarHBondContact O-CB 3.38Å; A122-Q126 PolarHBondContact O-N 3.1Å
123L80.4Confident74Confident91 Ų91102.1 Ų102.148%0.47654%0.538SS..Hα-helixtrans-65.9-40.7176.4-17365.4000111.8Q119 L120 Q126 Q127Q119-L123 WeakPolarHBondContact O-CB 3.2Å; Q119-L123 PolarHBondContact O-N 2.82Å; L120-L123 PolarHBondContact O-N 3.5Å; L123-Q126 PolarHBondContact O-N 3.4Å; L123-Q127 WeakPolarHBondContact O-CB 3.46Å; L123-Q127 PolarHBondContact O-N 3.01Å
124L82.4Confident75.6Confident104 Ų104102.5 Ų102.555%0.54554%0.539SS..Hα-helixtrans-64.5-43.6174.6-167.176.1000111.4L120 Q121 Q126 Q127 Q128L120-L124 WeakPolarHBondContact O-CB 3.48Å; L120-L124 PolarHBondContact O-N 2.97Å; Q121-L124 PolarHBondContact O-N 3.43Å; L124-Q126 PolarHBondContact O-N 3.08Å; L124-Q127 PolarHBondContact O-N 2.77Å; L124-Q128 WeakPolarHBondContact O-CB 3.37Å; L124-Q128 PolarHBondContact O-N 2.79Å
125Q84Confident77Confident93 Ų93100.7 Ų100.744%0.43552%0.521SS..Hα-helixtrans-62.1-42.3176.7-166.473.388.200111.5Q121 A122 Q128 A129Q121-Q125 WeakPolarHBondContact O-CB 3.47Å; Q121-Q125 PolarHBondContact O-N 3.06Å; A122-Q125 PolarHBondContact O-N 3.22Å; Q125-Q128 PolarHBondContact O-N 2.88Å; Q125-A129 WeakPolarHBondContact O-CB 3.41Å; Q125-A129 PolarHBondContact O-N 3.22Å
126Q80.1Confident78Confident128 Ų128103.4 Ų103.460%0.59853%0.532SS*.Hα-helixtrans-63.6-46.2175.4-174.8-175.495.100111.6A122 L123 L124 Q128 A129 V130A122-Q126 VanDerWaalsContact O-CB 3.32Å; A122-Q126 WeakPolarHBondContact O-CB 3.38Å; A122-Q126 PolarHBondContact O-N 3.1Å; L123-Q126 PolarHBondContact O-N 3.4Å; L124-Q126 PolarHBondContact O-N 3.08Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 3.42Å; Q126-A129 PolarHBondContact O-N 3.12Å; Q126-V130 WeakPolarHBondContact O-CG2 3.18Å; Q126-V130 PolarHBondContact O-N 3.11Å
127Q77.4Confident78.8Confident124 Ų124106.1 Ų106.158%0.57954%0.542SS*.Hα-helixtrans-59.6-42.9177-171.1-174.5105.800111.5L123 L124 V130 M131L123-Q127 WeakPolarHBondContact O-CB 3.46Å; L123-Q127 PolarHBondContact O-N 3.01Å; L124-Q127 PolarHBondContact O-N 2.77Å; Q127-V130 PolarHBondContact O-N 3.28Å; Q127-M131 PolarHBondContact O-N 2.71Å
128Q77.9Confident79.3Confident100 Ų100108 Ų10847%0.46754%0.542SS..Hα-helixtrans-66.7-38.1177.2-168.1176.477.600112.2L124 Q125 Q126 M131 L132L124-Q128 WeakPolarHBondContact O-CB 3.37Å; L124-Q128 PolarHBondContact O-N 2.79Å; Q125-Q128 PolarHBondContact O-N 2.88Å; Q126-Q128 VanDerWaalsContact C-N 3.32Å; Q126-Q128 PolarHBondContact O-N 3.42Å; Q128-M131 PolarHBondContact O-N 3.27Å; Q128-L132 WeakPolarHBondContact O-CG 3.15Å; Q128-L132 PolarHBondContact O-N 3.46Å
129A77Confident79.7Confident55 Ų55102.8 Ų102.846%0.45552%0.518SS..Hα-helixtrans-64.9-42.8174.700000112.5Q125 Q126 L132 Q133Q125-A129 WeakPolarHBondContact O-CB 3.41Å; Q125-A129 PolarHBondContact O-N 3.22Å; Q126-A129 PolarHBondContact O-N 3.12Å; A129-L132 PolarHBondContact O-N 3.43Å; A129-Q133 WeakPolarHBondContact O-CB 3.41Å; A129-Q133 PolarHBondContact O-N 3.15Å
130V84.4Confident80.6Confident77 Ų77103.4 Ų103.447%0.46752%0.519SS..Hα-helixtrans-63.4-40.7175.3171.90000111.2Q126 Q127 L132 Q133 Q134Q126-V130 WeakPolarHBondContact O-CG2 3.18Å; Q126-V130 PolarHBondContact O-N 3.11Å; Q127-V130 PolarHBondContact O-N 3.28Å; V130-L132 PolarHBondContact O-N 3.13Å; V130-Q133 PolarHBondContact O-N 2.95Å; V130-Q134 WeakPolarHBondContact O-CB 3.49Å; V130-Q134 PolarHBondContact O-N 3.2Å
131M84.7Confident80.6Confident125 Ų125105.8 Ų105.862%0.61652%0.523SS*.Hα-helixtrans-60.5-44.4175.2-171.5-172.7-63.700112.1Q127 Q128 Q134 Q135Q127-M131 PolarHBondContact O-N 2.71Å; Q128-M131 PolarHBondContact O-N 3.27Å; M131-Q134 PolarHBondContact O-N 3.37Å; M131-Q135 PolarHBondContact O-N 3.32Å
132L85Confident80.7Confident54 Ų54104.1 Ų104.128%0.28351%0.513SS..Hα-helixtrans-67.2-39.3176.8-72168000112.4Q128 A129 V130 Q134 Q135 H136Q128-L132 WeakPolarHBondContact O-CG 3.15Å; Q128-L132 PolarHBondContact O-N 3.46Å; A129-L132 PolarHBondContact O-N 3.43Å; V130-L132 PolarHBondContact O-N 3.13Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.42Å; L132-Q135 PolarHBondContact O-N 3.25Å; L132-H136 PolarHBondContact O-N 2.8Å
133Q83.5Confident80.8Confident144 Ų144107.1 Ų107.167%0.67352%0.516SS*.Hα-helixtrans-61.7-42.7174.5-173.9178.876.900111.4A129 V130 H136 L137A129-Q133 WeakPolarHBondContact O-CB 3.41Å; A129-Q133 PolarHBondContact O-N 3.15Å; V130-Q133 PolarHBondContact O-N 2.95Å; Q133-H136 PolarHBondContact O-N 2.94Å; Q133-L137 PolarHBondContact O-N 3.44Å
134Q81.6Confident80.8Confident142 Ų142108 Ų10866%0.66452%0.517SS*.Hα-helixtrans-67.3-37176.7-166.8164.5104.400112.2V130 M131 L132 L137 Q138V130-Q134 WeakPolarHBondContact O-CB 3.49Å; V130-Q134 PolarHBondContact O-N 3.2Å; M131-Q134 PolarHBondContact O-N 3.37Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.42Å; Q134-L137 PolarHBondContact O-N 3.29Å; Q134-Q138 WeakPolarHBondContact O-CB 3.3Å; Q134-Q138 PolarHBondContact O-N 2.84Å
135Q83.6Confident80Confident110 Ų110109.8 Ų109.851%0.51452%0.523SS..Hα-helixtrans-62.3-46.1172.5-172.8-174.297.100112M131 L132 L137 Q138 E139M131-Q135 PolarHBondContact O-N 3.32Å; L132-Q135 PolarHBondContact O-N 3.25Å; Q135-L137 PolarHBondContact O-N 3.34Å; Q135-Q138 PolarHBondContact O-N 2.97Å; Q135-E139 PolarHBondContact O-N 3.15Å
136H79.9Confident79.6Confident131 Ų131108.8 Ų108.861%0.60652%0.518SS*.Hα-helixtrans-61.8-40.7176.6-77.5151.9000112.6L132 Q133 Q138 E139 F140L132-H136 PolarHBondContact O-N 2.8Å; Q133-H136 PolarHBondContact O-N 2.94Å; H136-Q138 VanDerWaalsContact C-N 3.31Å; H136-Q138 PolarHBondContact O-N 3.3Å; H136-E139 PolarHBondContact O-N 3.32Å; H136-F140 WeakPolarHBondContact O-CB 3.34Å; H136-F140 PolarHBondContact O-N 3.24Å
137L83.4Confident79.3Confident96 Ų96109 Ų10950%0.50352%0.519SS..Hα-helixtrans-62.8-39.1175.4-172.264.3000111.5Q133 Q134 Q135 F140 Y141Q133-L137 PolarHBondContact O-N 3.44Å; Q134-L137 PolarHBondContact O-N 3.29Å; Q135-L137 PolarHBondContact O-N 3.34Å; L137-F140 WeakPolarHBondContact O-CB 3.43Å; L137-F140 PolarHBondContact O-N 2.95Å; L137-Y141 HydrophobicContact CD1-CD2 4.32Å; L137-Y141 HydrophobicContact CD1-CE2 3.81Å; L137-Y141 HydrophobicContact CD2-CE2 4.42Å; L137-Y141 HydrophobicContact CG-CD2 4.15Å; L137-Y141 HydrophobicContact CG-CE2 3.85Å; L137-Y141 VanDerWaalsContact O-CD2 3.27Å; L137-Y141 WeakPolarHBondContact O-CD2 3.19Å; L137-Y141 PolarHBondContact O-N 3.45Å; L137-Y141 VanDerWaalsContact O-N 3.13Å
138Q77.4Confident79Confident147 Ų147108.4 Ų108.469%0.68752%0.519SS*.Hα-helixtrans-72.1-36.2176.8-160172.75000112.8Q134 Q135 H136 F140 K142Q134-Q138 WeakPolarHBondContact O-CB 3.3Å; Q134-Q138 PolarHBondContact O-N 2.84Å; Q135-Q138 PolarHBondContact O-N 2.97Å; H136-Q138 VanDerWaalsContact C-N 3.31Å; H136-Q138 PolarHBondContact O-N 3.3Å; Q138-F140 VanDerWaalsContact C-N 3.32Å; Q138-K142 WeakPolarHBondContact O-CB 3.34Å; Q138-K142 PolarHBondContact O-N 2.91Å; Q138-K142 VanDerWaalsContact O-N 3.12Å
139E76.9Confident78.8Confident51 Ų51108.6 Ų108.624%0.23852%0.52CS..Hα-helixtrans-60.6-39.1167.9-85.9-108.7137.800111.7Q135 H136 K143 R183Q135-E139 PolarHBondContact O-N 3.15Å; H136-E139 PolarHBondContact O-N 3.32Å; E139-K143 WeakPolarHBondContact O-CG 3.48Å; E139-K143 PolarHBondContact O-N 3.46Å; E139-R183 IonicContact OE1-NH1 3.42Å; E139-R183 PolarHBondContact OE1-NH1 2.73Å; E139-R183 IonicContact OE2-CZ 2.73Å; E139-R183 IonicContact OE2-NH1 3.71Å; E139-R183 PolarHBondContact OE2-NH1 3.42Å
140F83.5Confident78.8Confident121 Ų121110.7 Ų110.753%0.53152%0.523SS..Hα-helixtrans-64.5-54.8179.6178.5-94.3000112H136 L137 Q138 K142 K143 Q144H136-F140 WeakPolarHBondContact O-CB 3.34Å; H136-F140 PolarHBondContact O-N 3.24Å; L137-F140 WeakPolarHBondContact O-CB 3.43Å; L137-F140 PolarHBondContact O-N 2.95Å; Q138-F140 VanDerWaalsContact C-N 3.32Å; F140-K142 VanDerWaalsContact C-N 3.25Å; F140-K142 PolarHBondContact O-N 3.41Å; F140-K143 PolarHBondContact O-N 3.05Å; F140-K143 VanDerWaalsContact O-N 3.14Å; F140-Q144 PolarHBondContact O-N 3.08Å
141Y73.9Confident78.2Confident143 Ų143112.3 Ų112.356%0.56153%0.525SS*.Hα-helixtrans-57.9-39.8176.5-78.3-65000112.1L137 Q144 Q145L137-Y141 HydrophobicContact CD1-CD2 4.32Å; L137-Y141 HydrophobicContact CD1-CE2 3.81Å; L137-Y141 HydrophobicContact CD2-CE2 4.42Å; L137-Y141 HydrophobicContact CG-CD2 4.15Å; L137-Y141 HydrophobicContact CG-CE2 3.85Å; L137-Y141 VanDerWaalsContact O-CD2 3.27Å; L137-Y141 WeakPolarHBondContact O-CD2 3.19Å; L137-Y141 PolarHBondContact O-N 3.45Å; L137-Y141 VanDerWaalsContact O-N 3.13Å; Y141-Q144 PolarHBondContact O-N 3.38Å; Y141-Q145 WeakPolarHBondContact O-CB 3.49Å; Y141-Q145 PolarHBondContact O-N 2.87Å
142K81.8Confident77.5Confident93 Ų93111.3 Ų111.340%0.40452%0.522SS..Hα-helixtrans-63.8-42.6176.4-178.4178.5178.8-177.80112.7Q138 F140 Q145 E146Q138-K142 WeakPolarHBondContact O-CB 3.34Å; Q138-K142 PolarHBondContact O-N 2.91Å; Q138-K142 VanDerWaalsContact O-N 3.12Å; F140-K142 VanDerWaalsContact C-N 3.25Å; F140-K142 PolarHBondContact O-N 3.41Å; K142-Q145 PolarHBondContact O-N 3.02Å; K142-E146 WeakPolarHBondContact CE-OE1 3.46Å; K142-E146 WeakPolarHBondContact CG-OE1 3.39Å; K142-E146 WeakPolarHBondContact O-CB 3.36Å; K142-E146 WeakPolarHBondContact O-CG 3.37Å; K142-E146 PolarHBondContact O-N 2.91Å
143K78.3Confident76.6Confident121 Ų121111.3 Ų111.353%0.52652%0.522SS..Hα-helixtrans-61.1-44.3173.1-77.2175.2-175.1173.10111.6E139 F140 Q145 E146 Q147E139-K143 WeakPolarHBondContact O-CG 3.48Å; E139-K143 PolarHBondContact O-N 3.46Å; F140-K143 PolarHBondContact O-N 3.05Å; F140-K143 VanDerWaalsContact O-N 3.14Å; K143-Q145 VanDerWaalsContact C-N 3.32Å; K143-Q145 PolarHBondContact O-N 3.4Å; K143-E146 PolarHBondContact O-N 3.39Å; K143-Q147 WeakPolarHBondContact O-CB 3.24Å; K143-Q147 PolarHBondContact O-N 2.84Å
144Q79.3Confident75.6Confident109 Ų109112.2 Ų112.251%0.50953%0.526SS..Hα-helixtrans-62.1-41.2178.1-163-168.128.500111.4F140 Y141 Q147 L148F140-Q144 PolarHBondContact O-N 3.08Å; Y141-Q144 PolarHBondContact O-N 3.38Å; Q144-Q147 PolarHBondContact O-N 3.22Å; Q144-L148 WeakPolarHBondContact O-CB 3.45Å; Q144-L148 PolarHBondContact O-N 3.25Å
145Q66.6Low74.7Confident141 Ų141113.1 Ų113.166%0.65953%0.53SS*.Hα-helixtrans-66.6-38.5176.1-165.9176.617.800112.5Y141 K142 K143 H149Y141-Q145 WeakPolarHBondContact O-CB 3.49Å; Y141-Q145 PolarHBondContact O-N 2.87Å; K142-Q145 PolarHBondContact O-N 3.02Å; K143-Q145 VanDerWaalsContact C-N 3.32Å; K143-Q145 PolarHBondContact O-N 3.4Å; Q145-H149 WeakPolarHBondContact O-CB 3.41Å; Q145-H149 PolarHBondContact O-N 3.17Å
146E75.1Confident73.2Confident73 Ų73114.5 Ų114.534%0.34154%0.537SS..Hα-helixtrans-66.1-38.7173.7-73.7178.2-149.200112.1K142 K143 H149 L150 K179K142-E146 WeakPolarHBondContact CE-OE1 3.46Å; K142-E146 WeakPolarHBondContact CG-OE1 3.39Å; K142-E146 WeakPolarHBondContact O-CB 3.36Å; K142-E146 WeakPolarHBondContact O-CG 3.37Å; K142-E146 PolarHBondContact O-N 2.91Å; K143-E146 PolarHBondContact O-N 3.39Å; E146-H149 PolarHBondContact O-N 2.81Å; E146-L150 PolarHBondContact O-N 3.44Å; E146-K179 IonicContact OE1-NZ 3.18Å; E146-K179 PolarHBondContact OE1-NZ 3.1Å; E146-K179 IonicContact OE2-NZ 3.55Å; E146-K179 PolarHBondContact OE2-NZ 3.38Å
147Q73.5Confident71.7Confident132 Ų132114.3 Ų114.362%0.61754%0.536SS*.Hα-helixtrans-65.8-46.4175-175.8176.50.400111.8K143 Q144 H149 L150 Q151K143-Q147 WeakPolarHBondContact O-CB 3.24Å; K143-Q147 PolarHBondContact O-N 2.84Å; Q144-Q147 PolarHBondContact O-N 3.22Å; Q147-H149 VanDerWaalsContact C-N 3.3Å; Q147-H149 PolarHBondContact O-N 3.2Å; Q147-L150 WeakPolarHBondContact O-CB 3.37Å; Q147-L150 PolarHBondContact O-N 3.49Å; Q147-Q151 PolarHBondContact O-N 3.06Å
148L70.9Confident69.8Low111 Ų111115.9 Ų115.958%0.58155%0.552SS**Hα-helixtrans-64.9-34177.8-172.4143.4000112.1Q144 Q151 L152Q144-L148 WeakPolarHBondContact O-CB 3.45Å; Q144-L148 PolarHBondContact O-N 3.25Å; L148-Q151 WeakPolarHBondContact O-CB 3.16Å; L148-Q151 PolarHBondContact O-N 2.98Å; L148-L152 HydrophobicContact CD2-CD1 4.08Å; L148-L152 WeakPolarHBondContact O-CD1 3.42Å; L148-L152 PolarHBondContact O-N 2.95Å; L148-L152 VanDerWaalsContact O-N 3.07Å
149H74.1Confident68.5Low105 Ų105111.5 Ų111.549%0.48655%0.546SS..Hα-helixtrans-67.3-40.5172.5-178.458000112.7Q145 E146 Q147 Q151 L152 L153Q145-H149 WeakPolarHBondContact O-CB 3.41Å; Q145-H149 PolarHBondContact O-N 3.17Å; E146-H149 PolarHBondContact O-N 2.81Å; Q147-H149 VanDerWaalsContact C-N 3.3Å; Q147-H149 PolarHBondContact O-N 3.2Å; H149-Q151 VanDerWaalsContact C-N 3.34Å; H149-L152 PolarHBondContact O-N 3.39Å; H149-L153 PolarHBondContact O-N 3.38Å
150L76.5Confident66.8Low98 Ų98118 Ų11851%0.51357%0.574SS.*Hα-helixtrans-62.3-41.1171.8-109.267.1000112E146 Q147 L152 L153 Q154E146-L150 PolarHBondContact O-N 3.44Å; Q147-L150 WeakPolarHBondContact O-CB 3.37Å; Q147-L150 PolarHBondContact O-N 3.49Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.42Å; L150-L153 PolarHBondContact O-N 3.19Å; L150-Q154 PolarHBondContact O-N 3.49Å
151Q73.1Confident64.7Low112 Ų112120.1 Ų120.152%0.52359%0.585SS.*Hα-helixtrans-60.4-40.1176.7-158.975.448.300111.8Q147 L148 H149 Q155Q147-Q151 PolarHBondContact O-N 3.06Å; L148-Q151 WeakPolarHBondContact O-CB 3.16Å; L148-Q151 PolarHBondContact O-N 2.98Å; H149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-Q155 PolarHBondContact O-N 3.41Å
152L69.3Low63.3Low104 Ų104117.9 Ų117.955%0.54560%0.596SS.*Hα-helixtrans-64.9-48.1173.5-102.873.7000112L148 H149 L150 Q154 Q155 Q156L148-L152 HydrophobicContact CD2-CD1 4.08Å; L148-L152 WeakPolarHBondContact O-CD1 3.42Å; L148-L152 PolarHBondContact O-N 2.95Å; L148-L152 VanDerWaalsContact O-N 3.07Å; H149-L152 PolarHBondContact O-N 3.39Å; L150-L152 VanDerWaalsContact C-N 3.31Å; L150-L152 PolarHBondContact O-N 3.42Å; L152-Q154 VanDerWaalsContact C-N 3.29Å; L152-Q154 PolarHBondContact O-N 2.64Å; L152-Q155 PolarHBondContact O-N 3.46Å; L152-Q155 VanDerWaalsContact O-N 3.11Å; L152-Q156 PolarHBondContact O-N 2.91Å
153L65.6Low61.6Low54 Ų54122.8 Ų122.828%0.28362%0.618SS.*Hα-helixtrans-58.6-41.4179.5-111.673.9000112H149 L150 Q155 Q156 T168 I172H149-L153 PolarHBondContact O-N 3.38Å; L150-L153 PolarHBondContact O-N 3.19Å; L153-Q155 VanDerWaalsContact C-N 3.27Å; L153-Q155 PolarHBondContact O-N 3.42Å; L153-Q156 PolarHBondContact O-N 3.45Å; L153-T168 HydrophobicContact CD2-CG2 4.49Å; L153-I172 HydrophobicContact CD2-CD1 3.68Å
154Q63.8Low59.9Low163 Ų163124.5 Ų124.576%0.76263%0.627SS**Hα-helixtrans-69.3-24.4179.5-169.4158.747.900113L150 L152L150-Q154 PolarHBondContact O-N 3.49Å; L152-Q154 VanDerWaalsContact C-N 3.29Å; L152-Q154 PolarHBondContact O-N 2.64Å
155Q61.2Low58.4Low160 Ų160123.4 Ų123.475%0.74863%0.628SS**Hα-helixtrans-80.3-17.8175.4-155.4179.7114.300113.1Q151 L152 L153Q151-Q155 PolarHBondContact O-N 3.41Å; L152-Q155 PolarHBondContact O-N 3.46Å; L152-Q155 VanDerWaalsContact O-N 3.11Å; L153-Q155 VanDerWaalsContact C-N 3.27Å; L153-Q155 PolarHBondContact O-N 3.42Å
156Q53.4Low57.6Low140 Ų140120.3 Ų120.365%0.65462%0.616SS**SBendtrans-84.6-8.9-169-157.2166.11700114.9L152 L153L152-Q156 PolarHBondContact O-N 2.91Å; L153-Q156 PolarHBondContact O-N 3.45Å
157H48.2Very low56.5Low126 Ų126119.5 Ų119.558%0.58362%0.621SS**  trans-133.772.9-174.8-68.2-75.4000115.9G159H157-G159 PolarHBondContact O-N 3.14Å
158P42.5Very low55.6Low129 Ų129116 Ų11684%0.83861%0.61SS**SBendtrans-72.360.1150.333.9-33.7000110.6
159G51.1Low54.9Low55 Ų55113.9 Ų113.957%0.56760%0.604SS**SBendtrans85.8115.4169.300000118H157H157-G159 PolarHBondContact O-N 3.14Å
160K40.8Very low54.1Low187 Ų187116.7 Ų116.781%0.81361%0.61SS**  trans-176.7140.2134.8-99.9154.1-170.3175.50112
161Q39.3Very low53.6Low167 Ų167117 Ų11778%0.7861%0.612SS**  trans53.8104.1165.1-57.6-65.46.500119K163Q161-K163 VanDerWaalsContact C-N 3.31Å; Q161-K163 PolarHBondContact O-N 3.25Å
162A46Very low53.5Low95 Ų95114.8 Ų114.879%0.78560%0.603SS**THydrogen-bonded Turntrans-78.217.3-17100000117.4
163K44.6Very low53.4Low197 Ų197112.8 Ų112.886%0.85760%0.597SS**THydrogen-bonded Turntrans-102.8-25-177.6-74.6-173.2175.6-179.20115.3Q161Q161-K163 VanDerWaalsContact C-N 3.31Å; Q161-K163 PolarHBondContact O-N 3.25Å
164E43.3Very low53.3Low156 Ų156115.2 Ų115.273%0.72961%0.609SS**Hα-helixtrans-86.7-26.4-179-161170.7159.200112.4D166 A167 T168E164-D166 PolarHBondContact O-N 3.15Å; E164-A167 PolarHBondContact O-N 3.18Å; E164-T168 PolarHBondContact O-N 2.93Å; E164-T168 PolarHBondContact O-OG1 3.1Å
165V47.8Very low53.7Low86 Ų86112.8 Ų112.852%0.52160%0.597SS.*Hα-helixtrans-63.1-38.8-178-175.10000112.4T168 S169V165-T168 PolarHBondContact O-N 3.09Å; V165-S169 WeakPolarHBondContact O-CB 3.42Å; V165-S169 PolarHBondContact O-N 3.08Å
166D49.4Very low54.1Low77 Ų77112.4 Ų112.441%0.41259%0.593SS.*Hα-helixtrans-68.9-41.9-179-174.325.5000111.9E164 T168 S169 R170E164-D166 PolarHBondContact O-N 3.15Å; D166-T168 PolarHBondContact O-N 2.96Å; D166-S169 PolarHBondContact O-N 3.16Å; D166-R170 WeakPolarHBondContact O-CB 3.48Å; D166-R170 WeakPolarHBondContact O-CG 3.43Å; D166-R170 PolarHBondContact O-N 3.31Å; D166-R170 IonicContact OD1-CZ 3.61Å; D166-R170 IonicContact OD1-NE 3.66Å; D166-R170 PolarHBondContact OD1-NE 3.3Å; D166-R170 IonicContact OD1-NH2 3.23Å; D166-R170 IonicContact OD2-CZ 2.69Å; D166-R170 VanDerWaalsContact OD2-CZ 3.23Å; D166-R170 IonicContact OD2-NE 3.72Å; D166-R170 PolarHBondContact OD2-NE 3.31Å; D166-R170 IonicContact OD2-NH2 3.02Å; D166-R170 PolarHBondContact OD2-NH2 3.2Å
167A52Low54.7Low55 Ų55110 Ų11046%0.45559%0.585SS.*Hα-helixtrans-60.4-45.417500000111.9E164 R170 L171E164-A167 PolarHBondContact O-N 3.18Å; A167-R170 PolarHBondContact O-N 3.03Å; A167-L171 PolarHBondContact O-N 3.21Å
168T54.4Low55.8Low60 Ų60109.2 Ų109.237%0.36858%0.584SS.*Hα-helixtrans-67.6-41178.2-56.50000111.9L153 E164 V165 D166 L171 I172L153-T168 HydrophobicContact CD2-CG2 4.49Å; E164-T168 PolarHBondContact O-N 2.93Å; E164-T168 PolarHBondContact O-OG1 3.1Å; V165-T168 PolarHBondContact O-N 3.09Å; D166-T168 PolarHBondContact O-N 2.96Å; T168-L171 PolarHBondContact O-N 3.17Å; T168-I172 HydrophobicContact CG2-CD1 4.19Å; T168-I172 WeakPolarHBondContact O-CG1 3.25Å; T168-I172 PolarHBondContact O-N 3.02Å
169S56.8Low57.1Low66 Ų66105 Ų10546%0.46255%0.553SS.*Hα-helixtrans-62.9-43.5174.8-174.50000112.1V165 D166 L171 I172 S173V165-S169 WeakPolarHBondContact O-CB 3.42Å; V165-S169 PolarHBondContact O-N 3.08Å; D166-S169 PolarHBondContact O-N 3.16Å; S169-L171 PolarHBondContact O-N 3.31Å; S169-I172 PolarHBondContact O-N 2.95Å; S169-S173 WeakPolarHBondContact O-CB 3.43Å; S169-S173 PolarHBondContact O-N 2.9Å
170R58.1Low58.1Low163 Ų163106.1 Ų106.162%0.61555%0.549SS*.Hα-helixtrans-61.8-41.8174.4-72.4171.8-168.5-134.611112D166 A167 S173 M174D166-R170 WeakPolarHBondContact O-CB 3.48Å; D166-R170 WeakPolarHBondContact O-CG 3.43Å; D166-R170 PolarHBondContact O-N 3.31Å; D166-R170 IonicContact OD1-CZ 3.61Å; D166-R170 IonicContact OD1-NE 3.66Å; D166-R170 PolarHBondContact OD1-NE 3.3Å; D166-R170 IonicContact OD1-NH2 3.23Å; D166-R170 IonicContact OD2-CZ 2.69Å; D166-R170 VanDerWaalsContact OD2-CZ 3.23Å; D166-R170 IonicContact OD2-NE 3.72Å; D166-R170 PolarHBondContact OD2-NE 3.31Å; D166-R170 IonicContact OD2-NH2 3.02Å; D166-R170 PolarHBondContact OD2-NH2 3.2Å; A167-R170 PolarHBondContact O-N 3.03Å; R170-S173 PolarHBondContact O-N 3.29Å; R170-M174 VanDerWaalsContact O-CB 3.25Å; R170-M174 WeakPolarHBondContact O-CB 3.26Å; R170-M174 PolarHBondContact O-N 2.86Å
171L64.3Low59.3Low105 Ų105106.2 Ų106.255%0.5554%0.544SS..Hα-helixtrans-60.1-45.5174.1-85.6161.5000112.2A167 T168 S169 M174 H175A167-L171 PolarHBondContact O-N 3.21Å; T168-L171 PolarHBondContact O-N 3.17Å; S169-L171 PolarHBondContact O-N 3.31Å; L171-M174 HydrophobicContact CD2-CE 3.76Å; L171-M174 PolarHBondContact O-N 2.77Å; L171-H175 WeakPolarHBondContact O-CB 3.42Å; L171-H175 PolarHBondContact O-N 3.13Å
172I71.6Confident60.5Low65 Ų65107.3 Ų107.333%0.33354%0.541SS..Hα-helixtrans-64.6-44.7176.9-67.5165.7000110.9L153 T168 S169 H175 K176L153-I172 HydrophobicContact CD2-CD1 3.68Å; T168-I172 HydrophobicContact CG2-CD1 4.19Å; T168-I172 WeakPolarHBondContact O-CG1 3.25Å; T168-I172 PolarHBondContact O-N 3.02Å; S169-I172 PolarHBondContact O-N 2.95Å; I172-H175 PolarHBondContact O-N 3.3Å; I172-K176 WeakPolarHBondContact O-CB 3.48Å; I172-K176 PolarHBondContact O-N 3.46Å
173S66.4Low61.4Low62 Ų62108.1 Ų108.143%0.43452%0.524SS..Hα-helixtrans-63.4-40.9178.1-173.50000112.7S169 R170 K176 N177S169-S173 WeakPolarHBondContact O-CB 3.43Å; S169-S173 PolarHBondContact O-N 2.9Å; R170-S173 PolarHBondContact O-N 3.29Å; S173-K176 PolarHBondContact O-N 3.37Å; S173-N177 WeakPolarHBondContact O-CB 3.17Å; S173-N177 PolarHBondContact O-N 3.36Å; S173-N177 PolarHBondContact O-ND2 3.35Å; S173-N177 VanDerWaalsContact O-ND2 3.14Å
174M65.1Low62Low106 Ų106106.1 Ų106.152%0.52251%0.512SS..Hα-helixtrans-63.6-45173.5176.7168.555.400111.6R170 L171 K176 N177 L178R170-M174 VanDerWaalsContact O-CB 3.25Å; R170-M174 WeakPolarHBondContact O-CB 3.26Å; R170-M174 PolarHBondContact O-N 2.86Å; L171-M174 HydrophobicContact CD2-CE 3.76Å; L171-M174 PolarHBondContact O-N 2.77Å; M174-K176 VanDerWaalsContact C-N 3.33Å; M174-K176 PolarHBondContact O-N 2.78Å; M174-N177 PolarHBondContact O-N 2.83Å; M174-L178 HydrophobicContact CG-CD1 4.36Å; M174-L178 PolarHBondContact O-N 3.08Å
175H71.9Confident62.6Low112 Ų112106 Ų10652%0.51951%0.509SS..Hα-helixtrans-65.2-36.8177.8-166.4-176.7000111.9L171 I172 K179L171-H175 WeakPolarHBondContact O-CB 3.42Å; L171-H175 PolarHBondContact O-N 3.13Å; I172-H175 PolarHBondContact O-N 3.3Å; H175-K179 VanDerWaalsContact CD2-CE 3.42Å; H175-K179 WeakPolarHBondContact CD2-CE 3.26Å; H175-K179 WeakPolarHBondContact NE2-CE 3.4Å; H175-K179 WeakPolarHBondContact O-CG 3.27Å; H175-K179 PolarHBondContact O-N 3.16Å
176K68.6Low63Low151 Ų151106.2 Ų106.266%0.65751%0.507SS*.Hα-helixtrans-64.4-44.4173.1-164.9172.1-177178.50111.4I172 S173 M174 K179 T180I172-K176 WeakPolarHBondContact O-CB 3.48Å; I172-K176 PolarHBondContact O-N 3.46Å; S173-K176 PolarHBondContact O-N 3.37Å; M174-K176 VanDerWaalsContact C-N 3.33Å; M174-K176 PolarHBondContact O-N 2.78Å; K176-K179 PolarHBondContact O-N 2.88Å; K176-T180 PolarHBondContact O-N 2.97Å; K176-T180 VanDerWaalsContact O-N 3.12Å; K176-T180 PolarHBondContact O-OG1 3.37Å
177N67.3Low63.2Low91 Ų91110.5 Ų110.549%0.48752%0.522SS..Hα-helixtrans-61.1-45.2175.1-95.6-78.4000113.2S173 M174 K179 T180 R181S173-N177 WeakPolarHBondContact O-CB 3.17Å; S173-N177 PolarHBondContact O-N 3.36Å; S173-N177 PolarHBondContact O-ND2 3.35Å; S173-N177 VanDerWaalsContact O-ND2 3.14Å; M174-N177 PolarHBondContact O-N 2.83Å; N177-K179 VanDerWaalsContact C-N 3.29Å; N177-K179 PolarHBondContact O-N 3.36Å; N177-T180 PolarHBondContact O-N 3.12Å; N177-R181 PolarHBondContact O-N 3.17Å
178L70.6Confident63.2Low108 Ų108112.5 Ų112.557%0.56552%0.522SS*.Hα-helixtrans-60-37.8177.5-103.168.9000112.6M174 R181 R182M174-L178 HydrophobicContact CG-CD1 4.36Å; M174-L178 PolarHBondContact O-N 3.08Å; L178-R181 PolarHBondContact O-N 3.03Å; L178-R182 PolarHBondContact O-N 3.49Å; L178-R182 VanDerWaalsContact O-N 3.11Å
179K69.7Low63.1Low42 Ų42114.4 Ų114.418%0.18353%0.533CS..Hα-helixtrans-67.1-42.4175.4-70.2171.7-170.1171.80112.2E146 H175 K176 N177 R181 R182 R183E146-K179 IonicContact OE1-NZ 3.18Å; E146-K179 PolarHBondContact OE1-NZ 3.1Å; E146-K179 IonicContact OE2-NZ 3.55Å; E146-K179 PolarHBondContact OE2-NZ 3.38Å; H175-K179 VanDerWaalsContact CD2-CE 3.42Å; H175-K179 WeakPolarHBondContact CD2-CE 3.26Å; H175-K179 WeakPolarHBondContact NE2-CE 3.4Å; H175-K179 WeakPolarHBondContact O-CG 3.27Å; H175-K179 PolarHBondContact O-N 3.16Å; K176-K179 PolarHBondContact O-N 2.88Å; N177-K179 VanDerWaalsContact C-N 3.29Å; N177-K179 PolarHBondContact O-N 3.36Å; K179-R181 PolarHBondContact O-N 3.37Å; K179-R182 PolarHBondContact O-N 2.96Å; K179-R183 PolarHBondContact O-N 2.84Å; K179-R183 VanDerWaalsContact O-N 3.12Å
180T72.2Confident62.9Low78 Ų78116.7 Ų116.748%0.47954%0.537SS..Hα-helixtrans-61.8-42.5174.8-58.50000111.6K176 N177 R182 R183 Y184K176-T180 PolarHBondContact O-N 2.97Å; K176-T180 VanDerWaalsContact O-N 3.12Å; K176-T180 PolarHBondContact O-OG1 3.37Å; N177-T180 PolarHBondContact O-N 3.12Å; T180-R182 VanDerWaalsContact C-N 3.32Å; T180-R182 PolarHBondContact O-N 3.43Å; T180-R183 PolarHBondContact O-N 3.48Å; T180-Y184 PolarHBondContact O-N 2.9Å
181R66.5Low62.5Low188 Ų188112.1 Ų112.171%0.70953%0.528SS*.Hα-helixtrans-65.8-28.7176.2-67.6-173.180.5-148.17.7113.6N177 L178 K179 K185N177-R181 PolarHBondContact O-N 3.17Å; L178-R181 PolarHBondContact O-N 3.03Å; K179-R181 PolarHBondContact O-N 3.37Å; R181-K185 PolarHBondContact O-N 3.32Å
182R64.5Low61.5Low191 Ų191114.6 Ų114.672%0.72154%0.535SS*.Hα-helixtrans-66.4-57.5169-79.3-165.4178.4-150.31.3111.3L178 K179 T180 Y184 K185 D186L178-R182 PolarHBondContact O-N 3.49Å; L178-R182 VanDerWaalsContact O-N 3.11Å; K179-R182 PolarHBondContact O-N 2.96Å; T180-R182 VanDerWaalsContact C-N 3.32Å; T180-R182 PolarHBondContact O-N 3.43Å; R182-Y184 PolarHBondContact O-N 3.08Å; R182-Y184 VanDerWaalsContact O-N 3.09Å; R182-K185 WeakPolarHBondContact O-CA 3.43Å; R182-K185 WeakPolarHBondContact O-CB 3.29Å; R182-K185 PolarHBondContact O-N 2.92Å; R182-D186 VanDerWaalsContact C-OD2 3.24Å; R182-D186 VanDerWaalsContact O-CG 3.23Å; R182-D186 PolarHBondContact O-N 2.83Å; R182-D186 VanDerWaalsContact O-OD2 3.04Å
183R64.1Low60.3Low111 Ų111118.9 Ų118.942%0.41956%0.558SS.*Hα-helixtrans-58.5-29.4-179.6-71-161.1-63.4-130.9-5114E139 K179 T180 K187E139-R183 IonicContact OE1-NH1 3.42Å; E139-R183 PolarHBondContact OE1-NH1 2.73Å; E139-R183 IonicContact OE2-CZ 2.73Å; E139-R183 IonicContact OE2-NH1 3.71Å; E139-R183 PolarHBondContact OE2-NH1 3.42Å; K179-R183 PolarHBondContact O-N 2.84Å; K179-R183 VanDerWaalsContact O-N 3.12Å; T180-R183 PolarHBondContact O-N 3.48Å; R183-K187 WeakPolarHBondContact O-CB 3.42Å; R183-K187 PolarHBondContact O-N 2.76Å; R183-K187 VanDerWaalsContact O-N 3.14Å
184Y57.7Low59.3Low156 Ų156122.7 Ų122.761%0.61257%0.569SS**Hα-helixtrans-66.3-45.4171.1-171.3-89.6000112.3T180 R182 H188T180-Y184 PolarHBondContact O-N 2.9Å; R182-Y184 PolarHBondContact O-N 3.08Å; R182-Y184 VanDerWaalsContact O-N 3.09Å; Y184-H188 AromaticContact CE1-CD2 3.76Å; Y184-H188 AromaticContact CZ-CD2 3.75Å; Y184-H188 PolarHBondContact O-N 2.8Å
185K55.2Low58.2Low154 Ų154125.7 Ų125.767%0.6758%0.582SS**Hα-helixtrans-60.5-49.1172.9-83.8-164.1167.8-162.40111.9R181 R182 K187 H188 T189R181-K185 PolarHBondContact O-N 3.32Å; R182-K185 WeakPolarHBondContact O-CA 3.43Å; R182-K185 WeakPolarHBondContact O-CB 3.29Å; R182-K185 PolarHBondContact O-N 2.92Å; K185-K187 VanDerWaalsContact C-N 3.33Å; K185-K187 PolarHBondContact O-N 3.24Å; K185-H188 PolarHBondContact O-N 2.93Å; K185-T189 PolarHBondContact O-N 3.31Å; K185-T189 PolarHBondContact O-OG1 3.3Å
186D57.7Low56.9Low89 Ų89123.7 Ų123.748%0.47659%0.591SS.*Hα-helixtrans-60.4-43.4-174.6-56-38.2000111.1R182 H188 T189 Q190R182-D186 VanDerWaalsContact C-OD2 3.24Å; R182-D186 VanDerWaalsContact O-CG 3.23Å; R182-D186 PolarHBondContact O-N 2.83Å; R182-D186 VanDerWaalsContact O-OD2 3.04Å; D186-H188 VanDerWaalsContact C-N 3.33Å; D186-H188 PolarHBondContact O-N 2.81Å; D186-T189 PolarHBondContact O-N 3.34Å; D186-T189 PolarHBondContact O-OG1 3.33Å; D186-T189 VanDerWaalsContact O-OG1 3.06Å; D186-Q190 PolarHBondContact O-N 2.91Å
187K52.9Low55.5Low167 Ų167124.5 Ų124.573%0.72660%0.602SS**Hα-helixtrans-61.1-36.2171.9-86.1-160.9169.3-163.10113.5R183 K185 P191R183-K187 WeakPolarHBondContact O-CB 3.42Å; R183-K187 PolarHBondContact O-N 2.76Å; R183-K187 VanDerWaalsContact O-N 3.14Å; K185-K187 VanDerWaalsContact C-N 3.33Å; K185-K187 PolarHBondContact O-N 3.24Å; K187-P191 VanDerWaalsContact O-CD 3.29Å; K187-P191 WeakPolarHBondContact O-CD 3.4Å
188H52.4Low54.4Low97 Ų97127.8 Ų127.845%0.44962%0.619SS.*Hα-helixtrans-80.6-19.7-177.5-117.6-63.5000114.2Y184 K185 D186Y184-H188 AromaticContact CE1-CD2 3.76Å; Y184-H188 AromaticContact CZ-CD2 3.75Å; Y184-H188 PolarHBondContact O-N 2.8Å; K185-H188 PolarHBondContact O-N 2.93Å; D186-H188 VanDerWaalsContact C-N 3.33Å; D186-H188 PolarHBondContact O-N 2.81Å
189T50.5Low52.8Low100 Ų100128.3 Ų128.361%0.61363%0.632SS**Hα-helixtrans-85.2-21.5173.540.40000114K185 D186K185-T189 PolarHBondContact O-N 3.31Å; K185-T189 PolarHBondContact O-OG1 3.3Å; D186-T189 PolarHBondContact O-N 3.34Å; D186-T189 PolarHBondContact O-OG1 3.33Å; D186-T189 VanDerWaalsContact O-OG1 3.06Å
190Q53.8Low50.9Low114 Ų114134.5 Ų134.553%0.53367%0.666SS.*SBendtrans-69.7-39.6-174.3-159.8167.110.600116.3D186D186-Q190 PolarHBondContact O-N 2.91Å
191P50Low49.3Very low68 Ų68136.7 Ų136.744%0.44268%0.682SS.*G310 helixtrans-76.4-28.7-172.227.6-34.2000114.5K187 N193 Q194K187-P191 VanDerWaalsContact O-CD 3.29Å; K187-P191 WeakPolarHBondContact O-CD 3.4Å; P191-N193 PolarHBondContact O-N 2.9Å; P191-Q194 PolarHBondContact O-N 3.28Å
192K43.5Very low47.6Very low157 Ų157131.3 Ų131.368%0.68368%0.684SS**G310 helixtrans-67.5-11.8-170-87.9-162.8169.1-166.60116
193N45.3Very low46.6Very low154 Ų154128.6 Ų128.682%0.82469%0.691SS**G310 helixtrans-93.9-2.6179.6-78.719.5000114.1P191P191-N193 PolarHBondContact O-N 2.9Å
194Q46.1Very low44.9Very low143 Ų143127.8 Ų127.867%0.66871%0.709SS**THydrogen-bonded Turntrans-103.1-20.5-174.1-157.7164.42400114.3P191P191-Q194 PolarHBondContact O-N 3.28Å
195E41.7Very low44.2Very low168 Ų168127 Ų12779%0.78572%0.723SS**SBendtrans-91.6-4.9-172.7-59-178.2141.700114
196G45.2Very low43Very low70 Ų70122.9 Ų122.972%0.72272%0.724SS**SBendtrans-88.62.4-169.900000117.5
197L38.4Very low41.7Very low168 Ų168128.7 Ų128.788%0.8875%0.748SS**SBendtrans-136.218.2-167.9-84174.6000116.1
198L43.8Very low40.6Very low160 Ų160125.6 Ų125.684%0.83875%0.754SS**  trans-134.873.5178.5-71.3176000113.3
199S37.5Very low39.4Very low120 Ų120125.7 Ų125.784%0.83977%0.771SS**  trans-169.189.2157.3-85.40000113.3
200L29Very low38.3Very low171 Ų171129 Ų12990%0.89578%0.784SS**  trans-146.7124.5150.7-81.7-176000108.8
201P40.4Very low38Very low125 Ų125129.5 Ų129.581%0.81280%0.798SS**PPolyproline II helixtrans-83144.8177.732.8-33.6000112.2
202G30.4Very low36.9Very low74 Ų74129.8 Ų129.876%0.76381%0.813SS**PPolyproline II helixtrans-78.2146.8172.500000112.6
203P43.6Very low36.1Very low134 Ų134131 Ų13187%0.8782%0.821SS**PPolyproline II helixtrans-88.6157.4-172.635.1-36.4000114.5
204A28.6Very low35.2Very low95 Ų95130 Ų13079%0.78582%0.821SS**  trans-129.3157.7164.100000109
205P42.2Very low34.3Very low139 Ų139130.7 Ų130.790%0.90383%0.828SS**  trans-87142.2-150.132.3-36.4000115.3
206G29.8Very low34.3Very low68 Ų68128 Ų12870%0.70183%0.825SS**  trans177.1110.9168.200000115.9
207Q29.8Very low34.4Very low211 Ų211130.4 Ų130.499%0.98683%0.828SS**  trans67.4156.4158.5-53.9-170.96.300118.4
208A30.1Very low34.4Very low102 Ų102128.4 Ų128.484%0.84383%0.825SS**  trans-112.5147-161.600000113.6
209A27.7Very low33.9Very low99 Ų99124 Ų12482%0.81882%0.818SS**  trans-162.7142.2138.900000111.8
210L28.2Very low33.7Very low168 Ų168122.2 Ų122.288%0.8882%0.819SS**  trans-127.8168.1163-76.8176.5000107
211P45.9Very low33.9Very low126 Ų126121 Ų12182%0.81881%0.813SS**  cis-126.5178-25.733.3-16000112
212G27.1Very low34Very low73 Ų73117.7 Ų117.775%0.75379%0.792SS**  trans-173.882.1175.800000118.4
213Q27.4Very low34.9Very low184 Ų184119.5 Ų119.586%0.8679%0.791SS**  trans31.9123.3143.2-58.5-76.561.300121.1
214T26.6Very low35.3Very low133 Ų133116.2 Ų116.282%0.81678%0.775SS**  145.6139.3115.4-43.90000113.1
215L26.8Very low36.1Very low156 Ų156116.2 Ų116.282%0.81776%0.759SS**  trans-85.9-167.4169.5-65.793.7000110.7
216P41.1Very low36.6Very low112 Ų112115.1 Ų115.173%0.72774%0.744SS**  cis-119-174.4-26.114.511.5000111.4
217P47.7Very low37.4Very low121 Ų121118.9 Ų118.979%0.78674%0.744SS**  trans-90.9148.1-179.635.3-35.4000114.8
218P39Very low38.1Very low125 Ų125113.7 Ų113.781%0.81272%0.72SS**  trans-83153.1136.235.2-28.8000109
219G32.6Very low38.9Very low68 Ų68114.4 Ų114.470%0.70171%0.709SS**  cis137.597.416.900000106.4
220G32.9Very low39.7Very low83 Ų83117.6 Ų117.686%0.85670%0.7SS**PPolyproline II helixtrans-72135.4-168.700000113.3
221L34.3Very low40.4Very low145 Ų145116.3 Ų116.376%0.75969%0.687SS**PPolyproline II helixtrans-87.6152.5170-58.5-174.8000111.2
222S42.7Very low40.1Very low55 Ų55115 Ų11539%0.38567%0.673SS.*PPolyproline II helixtrans-90.7158.8-166.673.50000113.4A224 E225S222-A224 PolarHBondContact O-N 3.46Å; S222-E225 WeakPolarHBondContact CB-OE2 3.2Å; S222-E225 PolarHBondContact N-OE2 3.47Å; S222-E225 PolarHBondContact O-N 3.22Å; S222-E225 PolarHBondContact OG-OE2 3.13Å
223P49.5Very low40.7Very low113 Ų113117.7 Ų117.773%0.73467%0.674SS**THydrogen-bonded Turntrans-61.4-7.9175.2-25.335.7000115.8
224A50.4Low41.3Very low65 Ų65114.7 Ų114.754%0.53767%0.669SS.*THydrogen-bonded Turntrans-78.8-42.217600000112.1S222 L226 Q227 Q228S222-A224 PolarHBondContact O-N 3.46Å; A224-L226 VanDerWaalsContact C-N 3.31Å; A224-L226 PolarHBondContact O-N 3.19Å; A224-Q227 PolarHBondContact O-N 2.78Å; A224-Q228 PolarHBondContact O-N 3.49Å
225E46.9Very low41.6Very low94 Ų94111.1 Ų111.144%0.43966%0.659SS.*Hα-helixtrans-66.4-34.9-174.4-69.4152.698.600111.7S222 Q227 Q228 L229S222-E225 WeakPolarHBondContact CB-OE2 3.2Å; S222-E225 PolarHBondContact N-OE2 3.47Å; S222-E225 PolarHBondContact O-N 3.22Å; S222-E225 PolarHBondContact OG-OE2 3.13Å; E225-Q227 PolarHBondContact O-N 3.23Å; E225-Q228 PolarHBondContact O-N 2.73Å; E225-L229 PolarHBondContact O-N 3.29Å
226L52.5Low41.9Very low116 Ų116110.9 Ų110.961%0.60766%0.663SS**Hα-helixtrans-67.4-19.8175.7-14683.1000113.6A224A224-L226 VanDerWaalsContact C-N 3.31Å; A224-L226 PolarHBondContact O-N 3.19Å
227Q46Very low41.3Very low148 Ų148109.3 Ų109.369%0.69267%0.667SS**Hα-helixtrans-85.3-27.6173.5-65.2-171.432.300112.5A224 E225A224-Q227 PolarHBondContact O-N 2.78Å; E225-Q227 PolarHBondContact O-N 3.23Å
228Q43.9Very low40.4Very low102 Ų102107.4 Ų107.448%0.47767%0.67SS.*Hα-helixtrans-69-42.7176-168.960.332.400110.9A224 E225 W230 K231A224-Q228 PolarHBondContact O-N 3.49Å; E225-Q228 PolarHBondContact O-N 2.73Å; Q228-W230 PolarHBondContact O-N 3.24Å; Q228-W230 VanDerWaalsContact O-N 3.14Å; Q228-K231 WeakPolarHBondContact O-CB 3.39Å; Q228-K231 PolarHBondContact O-N 3.42Å
229L47.3Very low40Very low116 Ų116105.6 Ų105.661%0.60767%0.674SS**Hα-helixtrans-58.8-29.2178-156.676000113.5E225 K231 V233E225-L229 PolarHBondContact O-N 3.29Å; L229-K231 VanDerWaalsContact C-N 3.34Å; L229-V233 WeakPolarHBondContact O-CG2 3.5Å
230W43.9Very low39.8Very low166 Ų166106.2 Ų106.263%0.62968%0.68SS**Hα-helixtrans-79.7-10.6176.6-86.174.3000114.5Q228Q228-W230 PolarHBondContact O-N 3.24Å; Q228-W230 VanDerWaalsContact O-N 3.14Å
231K43.9Very low39.5Very low142 Ų142106.3 Ų106.362%0.61768%0.682SS**Hα-helixtrans-81.2-45.7171.5-107.9174.8173.8179.80111.1Q228 L229 V233 T234Q228-K231 WeakPolarHBondContact O-CB 3.39Å; Q228-K231 PolarHBondContact O-N 3.42Å; L229-K231 VanDerWaalsContact C-N 3.34Å; K231-V233 PolarHBondContact O-N 3.21Å; K231-T234 PolarHBondContact O-N 3.19Å; K231-T234 VanDerWaalsContact O-N 3.15Å; K231-T234 PolarHBondContact O-OG1 3Å
232D38.9Very low39.2Very low99 Ų99103 Ų10353%0.52968%0.682SS.*Hα-helixtrans-74.9-25.7-168.4-56.4-24.8000112.6T234 G235D232-T234 PolarHBondContact O-N 3Å; D232-G235 PolarHBondContact O-N 3.37Å
233V39.4Very low38.4Very low128 Ų128103.7 Ų103.778%0.77670%0.698SS**THydrogen-bonded Turntrans-67.1-20.9172.3173.20000113L229 K231L229-V233 WeakPolarHBondContact O-CG2 3.5Å; K231-V233 PolarHBondContact O-N 3.21Å
234T40.6Very low37.4Very low122 Ų122107.9 Ų107.975%0.74871%0.707SS**THydrogen-bonded Turntrans-95.312.3179.155.80000114.3K231 D232K231-T234 PolarHBondContact O-N 3.19Å; K231-T234 VanDerWaalsContact O-N 3.15Å; K231-T234 PolarHBondContact O-OG1 3Å; D232-T234 PolarHBondContact O-N 3Å
235G32.4Very low36.3Very low58 Ų58108.4 Ų108.460%0.59871%0.712SS**  trans-14852-163.300000117.6D232D232-G235 PolarHBondContact O-N 3.37Å
236V34.1Very low35.5Very low150 Ų150111.6 Ų111.691%0.90973%0.729SS**  trans-127.6114.5159.9-178.20000110.4
237G28.6Very low34.5Very low79 Ų79114.4 Ų114.481%0.81474%0.739SS**SBendtrans-167.611.8-179.700000115.6
238G29Very low33.7Very low82 Ų82114.1 Ų114.185%0.84574%0.742SS**  trans74.6134.5-18000000114.8
239G29.6Very low33.1Very low87 Ų87115 Ų11590%0.89775%0.75SS**  cis129.1106.1-9.600000113.4
240G28.1Very low32.2Very low80 Ų80112.7 Ų112.783%0.82575%0.754SS**  trans132.9115.1162.500000116.5
241G27.6Very low31.7Very low86 Ų86111.1 Ų111.189%0.88776%0.757SS**  trans84.3148158.700000117.5
242G27.6Very low31.1Very low75 Ų75113 Ų11377%0.77377%0.765SS**  cis172.716.4-2.300000119.4
243G26.6Very low30.7Very low70 Ų70116.2 Ų116.272%0.72278%0.776SS**  trans73.1141.9171.400000117.1
244H28Very low30.1Very low200 Ų200115.5 Ų115.593%0.92678%0.777SS**  178.3163.8125-99.2-78.1000110.5
245A27.5Very low29.5Very low77 Ų77113.8 Ų113.864%0.63678%0.784SS**  trans-85175.4-15600000117.6
246M30.6Very low29.2Very low161 Ų161114.9 Ų114.979%0.79380%0.795SS**  trans81.6110.6145.2-73.5149.3172.300122
247E30.2Very low28.8Very low174 Ų174111.7 Ų111.781%0.81379%0.792SS**  66.4123.9117.8-67.3-179.2116.900124.5
248D29.3Very low28.8Very low142 Ų142111.3 Ų111.376%0.75979%0.789SS**  103.8143.1127.4-160.1-132.8000123.5
249N31.8Very low28.8Very low121 Ų121115.6 Ų115.665%0.64779%0.791SS**  trans68.5157.4157-108.6-57000122.7I251N249-I251 WeakPolarHBondContact OD1-CD1 3.46Å
250G27.7Very low28.9Very low67 Ų67115.1 Ų115.169%0.69179%0.785SS**  trans169.8-28.9172.100000121.6
251I33.3Very low29.1Very low133 Ų133116.2 Ų116.268%0.68278%0.781SS**  trans44.4122.6157.7-61.6172.1000121.1N249N249-I251 WeakPolarHBondContact OD1-CD1 3.46Å
252K31.6Very low29.3Very low183 Ų183118.2 Ų118.280%0.79678%0.775SS**  trans76.9117.9150.6-82.6173.8177.41780124.2
253H30.3Very low29.5Very low165 Ų165120.8 Ų120.876%0.76477%0.771SS**  51.7119.2113.6-79.7-91.5000124.2
254S28.6Very low29.7Very low113 Ų113123.5 Ų123.579%0.7977%0.774SS**  67.3128120.8-56.20000122.8
255G27.6Very low29.7Very low86 Ų86117.1 Ų117.189%0.88776%0.762SS**  trans119.2151.1159.200000115
256G26.4Very low29.8Very low82 Ų82120.5 Ų120.585%0.84578%0.775SS**  cis164.948.8-6.900000119.5
257G25.8Very low29.7Very low82 Ų82116.5 Ų116.585%0.84578%0.775SS**  trans78.7143.2155.100000120.8
258G28.1Very low29.7Very low72 Ų72115 Ų11574%0.74278%0.777SS**  trans83.8161.1164.700000117
259I29.6Very low29.8Very low172 Ų172114.6 Ų114.688%0.88278%0.78SS**  cis-162.1144.3-11.734.9166.2000110.5
260G30.1Very low29.8Very low76 Ų76113.6 Ų113.678%0.78478%0.783SS**  trans70.7174158.500000118.5
261S32.3Very low30Very low104 Ų104116.4 Ų116.473%0.72779%0.792SS**  cis-168.8135.3-14.5-150.60000112.6
262V32.2Very low29.7Very low128 Ų128113.1 Ų113.178%0.77679%0.79SS**  trans53.1169.7154.2-55.80000119.6
263N31.1Very low29.8Very low129 Ų129111.9 Ų111.969%0.6979%0.791SS**  cis-159.2158.96.8-144.910.7000115.5
264T30.8Very low29.8Very low126 Ų126109.6 Ų109.677%0.77379%0.785SS**  trans52.9141.8146.846.50000125.7
265G28.9Very low29.9Very low66 Ų66111.1 Ų111.168%0.6878%0.784SS**  trans140.670.2149.500000117.8
266T29.4Very low29.9Very low149 Ų149111.7 Ų111.791%0.91477%0.774SS**  50.611397.462.20000119
267G28.2Very low30.1Very low77 Ų77114.2 Ų114.279%0.79477%0.773SS**  trans178.6149.1167.400000112
268V30.7Very low30.3Very low141 Ų141118.2 Ų118.286%0.85578%0.775SS**  trans-139.3131.7-166.1175.20000114
269V31.3Very low30.5Very low134 Ų134121.5 Ų121.581%0.81278%0.776SS**  trans171.7146.7141.7-86.90000108
270S32.8Very low30.6Very low101 Ų101117.6 Ų117.671%0.70676%0.763SS**  cis-158.7158.8-10.2-90.70000110.2
271S31Very low30.6Very low126 Ų126120.1 Ų120.188%0.88176%0.764SS**  trans31.5131.2154.6-47.80000121.4
272G27.5Very low30.5Very low63 Ų63119.9 Ų119.965%0.64976%0.762SS**  cis-174.5144.9-2.500000110
273L34.3Very low30.3Very low157 Ų157119.9 Ų119.982%0.82276%0.762SS**  66.6129.7100.2-53.1-165.8000113.9
274D28.5Very low30.2Very low117 Ų117119.6 Ų119.663%0.62677%0.766SS**  cis-157.3144.79.5-106.9-17000114.3
275L32.3Very low30.1Very low146 Ų146118.4 Ų118.476%0.76476%0.763SS**  48.1156.8125.6-58.7174.2000122.3
276S27.2Very low30Very low97 Ų97120.8 Ų120.868%0.67877%0.769SS**  cis-156.71506.1-1400000113.4
277T30.1Very low30.1Very low135 Ų135119.7 Ų119.783%0.82877%0.767SS**  trans-147.3130.6158.2-55.90000108.7
278N29.8Very low30.2Very low167 Ų167123.3 Ų123.389%0.89377%0.768SS**  trans-161.8169.7164.3-116.1-33.2000114.3
279N32.8Very low30.9Very low141 Ų141122.2 Ų122.275%0.75476%0.764SS**  trans-136157.9-165.4173.437.5000112.1
280S30.8Very low30.7Very low89 Ų89119.7 Ų119.762%0.62276%0.757SS**  trans123.9143.4142.4-490000118.4
281T29.7Very low30.5Very low130 Ų130124.8 Ų124.880%0.79877%0.767SS**  trans109.8112141.6-32.60000120.5
282S30.8Very low30.3Very low98 Ų98123.5 Ų123.569%0.68576%0.764SS**  trans-3.4146.5149.8-43.20000123.4
283T27.9Very low30.2Very low128 Ų128126 Ų12679%0.78577%0.772SS**  166.2145.2105.145.60000117.8
284T28.4Very low30.9Very low123 Ų123124.2 Ų124.276%0.75577%0.769SS**  trans58.6140.9143.3530000128.1
285S28.8Very low31.5Very low102 Ų102123.8 Ų123.871%0.71377%0.773SS**  trans76.498.6138.157.10000125.2
286S28.4Very low31.2Very low115 Ų115125 Ų12580%0.80478%0.778SS**  34.4127.6125.762.50000124.3
287S30.1Very low31.3Very low126 Ų126124.3 Ų124.388%0.88177%0.773SS**  trans-166168.3131.452.80000112.4
288N30.1Very low31.2Very low154 Ų154125.4 Ų125.482%0.82477%0.769SS**  trans-157152.7-178.9-144.1-7.6000107
289P45.2Very low31.2Very low117 Ų117125.4 Ų125.476%0.7676%0.763SS**  -161.4173.776.344.1-23.4000119.6
290A28.7Very low30.9Very low82 Ų82122.8 Ų122.868%0.67876%0.761SS**  trans87.1116.9137.400000124.5
291K28.4Very low30.9Very low208 Ų208126.4 Ų126.490%0.90477%0.771SS**  trans100.9146.8133.1-83.2-179.2174.3-178.80122.2
292A27.2Very low30.7Very low99 Ų99126.6 Ų126.682%0.81877%0.773SS**  trans84.7143.4170.700000119.1
293S25.6Very low30.6Very low116 Ų116129.8 Ų129.881%0.81178%0.782SS**  trans-172.4174.7-178.6-42.80000107.6
294P47.5Very low30.9Very low119 Ų119126.7 Ų126.777%0.77378%0.776SS**  cis-124.3-143.1-17.944.7-27.8000108.7
295P41.8Very low31Very low108 Ų108130 Ų13070%0.70178%0.783SS**  cis-121.8170.6-35.437.5-23.5000113.2
296I26.8Very low31Very low170 Ų170130.1 Ų130.187%0.87278%0.783SS**  trans176.6154.9130.1-92.3159.3000110.3
297S29.3Very low31.3Very low83 Ų83130.1 Ų130.158%0.5878%0.781SS**  trans-49.9139.4-176175.20000116.2
298H28Very low31.7Very low158 Ų158131.3 Ų131.373%0.73178%0.776SS**  -178.6163.7107.3-91.7-69.5000112.9
299H28.9Very low32.4Very low168 Ų168130.8 Ų130.878%0.77877%0.772SS**  trans-24.1152.2175.1-48.3-77.5000118.6
300A26.4Very low32Very low85 Ų85131.2 Ų131.270%0.70277%0.768SS**  cis-173.3-157-10.400000106.4
301I31.2Very low32.4Very low165 Ų165134.3 Ų134.385%0.84677%0.768SS**  cis-154.1151.65.7-35.5156.2000107.4
302T25.3Very low33Very low135 Ų135133.3 Ų133.383%0.82876%0.759SS**  trans-154.1119.8152.4177.40000114.6
303N29.6Very low33.7Very low164 Ų164137 Ų13788%0.87775%0.751SS**  trans3.2122.2155.1-158.814.9000120.5
304G33.9Very low34.5Very low64 Ų64136.8 Ų136.866%0.6674%0.738SS**  trans158123.4159.800000117.1
305Q29.7Very low34.4Very low193 Ų193139.3 Ų139.390%0.90273%0.732SS**  trans66101.6160.9-59.6-175.5-0.600120.4
306S30.1Very low34.4Very low103 Ų103138.4 Ų138.472%0.7272%0.718SS**  trans-3.2124.215054.40000121
307P34.5Very low35.2Very low116 Ų116138.3 Ų138.375%0.75371%0.707SS**  trans-97.9105167.535-28.7000112.8
308I38.3Very low36Very low150 Ų150139.9 Ų139.977%0.76971%0.705SS**  trans-119.1-6.4171.9-73.6-179.8000112.8
309L43.3Very low36.8Very low144 Ų144140.9 Ų140.975%0.75470%0.702SS**SBendtrans-100-12.3-170.3-61.4179.8000116.1
310N37Very low37.3Very low125 Ų125139.3 Ų139.367%0.66870%0.695SS**Hα-helixtrans-74.3-43.2-175.6-74.9-14.3000113.7R312 R313 E314N310-R312 PolarHBondContact O-N 3.41Å; N310-R313 PolarHBondContact O-N 3.48Å; N310-E314 PolarHBondContact O-N 3.27Å
311H37.9Very low38Very low148 Ų148145.6 Ų145.669%0.68570%0.701SS**Hα-helixtrans-62.6-14.5-178-73.4-40.3000115E314 R315H311-E314 IonicContact CE1-OE2 3.36Å; H311-E314 IonicContact ND1-OE2 2.73Å; H311-E314 PolarHBondContact ND1-OE2 3.11Å; H311-R315 WeakPolarHBondContact O-CB 3.29Å; H311-R315 PolarHBondContact O-N 3.27Å
312R41.9Very low38.6Very low187 Ų187145 Ų14571%0.70670%0.695SS**Hα-helixtrans-74.6-49.5173.9-174.6173.2178.4160.43111.7N310 E314 R315 E316N310-R312 PolarHBondContact O-N 3.41Å; R312-E314 VanDerWaalsContact C-N 3.32Å; R312-E314 PolarHBondContact O-N 2.84Å; R312-R315 PolarHBondContact O-N 3.44Å; R312-E316 IonicContact NE-OE1 2.93Å; R312-E316 PolarHBondContact NE-OE1 3.44Å; R312-E316 WeakPolarHBondContact O-CG 3.48Å; R312-E316 PolarHBondContact O-N 2.95Å; R312-E316 VanDerWaalsContact O-N 3.08Å
313R41.7Very low39.1Very low175 Ų175143.1 Ų143.166%0.6669%0.687SS**Hα-helixtrans-72.6-25.7-178.9174.9169.8-92.6-163.3-8.5112.8N310 R317N310-R313 PolarHBondContact O-N 3.48Å; R313-R317 PolarHBondContact O-N 3.41Å
314E41.1Very low39.3Very low112 Ų112143.6 Ų143.652%0.52368%0.683SS.*Hα-helixtrans-67.1-50.1172.1-166.3162.8-123.900110.9N310 H311 R312 E316 R317 E318N310-E314 PolarHBondContact O-N 3.27Å; H311-E314 IonicContact CE1-OE2 3.36Å; H311-E314 IonicContact ND1-OE2 2.73Å; H311-E314 PolarHBondContact ND1-OE2 3.11Å; R312-E314 VanDerWaalsContact C-N 3.32Å; R312-E314 PolarHBondContact O-N 2.84Å; E314-E316 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 3Å; E314-R317 WeakPolarHBondContact O-CB 3.35Å; E314-R317 PolarHBondContact O-N 3.21Å; E314-R317 VanDerWaalsContact O-N 3.1Å; E314-E318 PolarHBondContact O-N 3.26Å
315R44.8Very low39.1Very low173 Ų173147.6 Ų147.665%0.65369%0.69SS**Hα-helixtrans-66.9-28.5177.6-173.4171.8-65.6-147.6-4.8114.5H311 R312 R319H311-R315 WeakPolarHBondContact O-CB 3.29Å; H311-R315 PolarHBondContact O-N 3.27Å; R312-R315 PolarHBondContact O-N 3.44Å; R315-R319 PolarHBondContact O-N 2.85Å
316E43.3Very low39.4Very low89 Ų89143.2 Ų143.242%0.41668%0.68SS.*Hα-helixtrans-65.4-39.4171.4-77.7161.7175.700110.7R312 E314 R319 E320R312-E316 IonicContact NE-OE1 2.93Å; R312-E316 PolarHBondContact NE-OE1 3.44Å; R312-E316 WeakPolarHBondContact O-CG 3.48Å; R312-E316 PolarHBondContact O-N 2.95Å; R312-E316 VanDerWaalsContact O-N 3.08Å; E314-E316 VanDerWaalsContact C-N 3.34Å; E314-E316 PolarHBondContact O-N 3Å; E316-R319 PolarHBondContact O-N 3.4Å; E316-E320 WeakPolarHBondContact O-CG 3.42Å; E316-E320 PolarHBondContact O-N 3.46Å
317R43.1Very low39.8Very low167 Ų167146.5 Ų146.563%0.6369%0.689SS**Hα-helixtrans-72.7-27.4176.9-72.8174.3166.9-172.8-6.7114.6R313 E314 R321R313-R317 PolarHBondContact O-N 3.41Å; E314-R317 WeakPolarHBondContact O-CB 3.35Å; E314-R317 PolarHBondContact O-N 3.21Å; E314-R317 VanDerWaalsContact O-N 3.1Å; R317-R321 PolarHBondContact O-N 3.49Å
318E45.1Very low39.5Very low117 Ų117148.8 Ų148.855%0.54769%0.689SS.*Hα-helixtrans-65.2-44.9168.9-67.7177.7129.300110.5E314 E320 R321 E322E314-E318 PolarHBondContact O-N 3.26Å; E318-E320 PolarHBondContact O-N 3.18Å; E318-R321 WeakPolarHBondContact O-CB 3.39Å; E318-R321 PolarHBondContact O-N 3.15Å; E318-R321 VanDerWaalsContact O-N 3.08Å; E318-E322 PolarHBondContact O-N 3Å
319R46.4Very low39.5Very low178 Ų178150 Ų15067%0.67269%0.692SS**Hα-helixtrans-65.2-35.9176.2-80.9-177.7162.2-112.5-11.4113.8R315 E316 R321 E322 S323R315-R319 PolarHBondContact O-N 2.85Å; E316-R319 PolarHBondContact O-N 3.4Å; R319-R321 PolarHBondContact O-N 2.81Å; R319-E322 PolarHBondContact O-N 2.85Å; R319-S323 VanDerWaalsContact O-CB 3.26Å; R319-S323 WeakPolarHBondContact O-CB 3.48Å; R319-S323 PolarHBondContact O-N 3.15Å
320E38.1Very low39.6Very low135 Ų135151.2 Ų151.263%0.63169%0.693SS**Hα-helixtrans-65.8-23.4173.4-71.9173.3156.900112.4E316 E318E316-E320 WeakPolarHBondContact O-CG 3.42Å; E316-E320 PolarHBondContact O-N 3.46Å; E318-E320 PolarHBondContact O-N 3.18Å
321R42.8Very low39.6Very low218 Ų218150.3 Ų150.382%0.82370%0.697SS**Hα-helixtrans-79.5-41.3169-90.4-177.1174.1-90.6-1.3113.4R317 E318 R319 S323R317-R321 PolarHBondContact O-N 3.49Å; E318-R321 WeakPolarHBondContact O-CB 3.39Å; E318-R321 PolarHBondContact O-N 3.15Å; E318-R321 VanDerWaalsContact O-N 3.08Å; R319-R321 PolarHBondContact O-N 2.81Å; R321-S323 VanDerWaalsContact C-N 3.3Å; R321-S323 PolarHBondContact O-N 3.03Å
322E42.4Very low39.8Very low153 Ų153146.4 Ų146.472%0.71570%0.697SS**Hα-helixtrans-68.4-28.3176.8-68.4-176.2129.400112.8E318 R319 H324E318-E322 PolarHBondContact O-N 3Å; R319-E322 PolarHBondContact O-N 2.85Å; E322-H324 VanDerWaalsContact C-N 3.34Å; E322-H324 PolarHBondContact O-N 3.16Å
323S36.2Very low40.2Very low94 Ų94139.9 Ų139.966%0.65769%0.687SS**THydrogen-bonded Turntrans-84.30.8-174.3-167.20000115R319 R321R319-S323 VanDerWaalsContact O-CB 3.26Å; R319-S323 WeakPolarHBondContact O-CB 3.48Å; R319-S323 PolarHBondContact O-N 3.15Å; R321-S323 VanDerWaalsContact C-N 3.3Å; R321-S323 PolarHBondContact O-N 3.03Å
324H33Very low40.7Very low174 Ų174137.7 Ų137.781%0.80669%0.694SS**THydrogen-bonded Turntrans-112.18.5-174.3-126.2-71.4000114.5E322E322-H324 VanDerWaalsContact C-N 3.34Å; E322-H324 PolarHBondContact O-N 3.16Å
325D31Very low42Very low148 Ų148135.3 Ų135.379%0.79168%0.682SS**  trans-113.564.6-177-169.532.8000111.6
326S34.8Very low43.6Very low101 Ų101132.7 Ų132.771%0.70669%0.688SS**SBendtrans-15716.3177.143.40000115.2
327L39.5Very low45.1Very low173 Ų173130.9 Ų130.991%0.90668%0.681SS**  trans-14268172-74.5179000111.2
328H28.3Very low46.8Very low164 Ų164124.6 Ų124.676%0.75966%0.658SS**  trans-146.3113.4160.4-156.8-75.3000110
329E38.3Very low48.3Very low175 Ų175119.8 Ų119.882%0.81864%0.639SS**  trans-71.4152.3166.3-73.4-85.8103.800109.7
330E44.5Very low49.6Very low169 Ų169120.1 Ų120.179%0.7965%0.648SS**  trans57.381.9160.4-120.6-69.378.900117.4
331S37.2Very low51.5Low107 Ų107114.7 Ų114.775%0.74863%0.628SS**  trans-161.7152.3150.8-91.30000113
332G41.5Very low53.3Low65 Ų65106.2 Ų106.267%0.6760%0.601SS**  trans-66.6151.5-169.800000115.9T334G332-T334 PolarHBondContact O-N 3.24Å; G332-T334 VanDerWaalsContact O-N 3.16Å
333G50.9Low55.3Low50 Ų5099.1 Ų99.152%0.51557%0.568SS.*  trans-64.4107.7-167.900000116.1F355G333-F355 VanDerWaalsContact O-CD2 3.29Å; G333-F355 WeakPolarHBondContact O-CD2 3.33Å
334T53.3Low57.4Low129 Ų12999.6 Ų99.679%0.79156%0.558SS**  trans-99.1101.3170.754.10000111.4G332G332-T334 PolarHBondContact O-N 3.24Å; G332-T334 VanDerWaalsContact O-N 3.16Å
335H68.5Low59.6Low62 Ų6296 Ų9629%0.28754%0.537SS..  trans-85144.6165.5171.4-98.8000109.2L337 Y338 F355 F358H335-L337 PolarHBondContact ND1-N 3.49Å; H335-L337 PolarHBondContact O-N 2.86Å; H335-Y338 CarbonylContact O-C 3.59Å; H335-Y338 PolarHBondContact O-N 2.95Å; H335-F355 HydrophobicContact CB-CE2 3.69Å; H335-F355 HydrophobicContact CB-CZ 4.25Å; H335-F358 HydrophobicContact CB-CE1 4.18Å; H335-F358 AromaticContact CE1-CE1 3.85Å; H335-F358 AromaticContact CE1-CZ 3.68Å; H335-F358 AromaticContact CG-CE1 3.84Å; H335-F358 AromaticContact ND1-CE1 3.27Å; H335-F358 VanDerWaalsContact ND1-CE1 3.27Å; H335-F358 WeakPolarHBondContact ND1-CE1 3.18Å; H335-F358 AromaticContact ND1-CZ 3.26Å; H335-F358 VanDerWaalsContact ND1-CZ 3.26Å; H335-F358 WeakPolarHBondContact ND1-CZ 3.4Å
336P76.8Confident61.7Low119 Ų11994.3 Ų94.377%0.77353%0.534SS*.THydrogen-bonded Turntrans-57.1-24.4-173.4-29.236.8000115.7
337L74.6Confident63.3Low51 Ų5193.8 Ų93.827%0.26755%0.545SS..THydrogen-bonded Turntrans-102.716.3176.8-51.2179.7000113.5H335 K344 W345 F358H335-L337 PolarHBondContact ND1-N 3.49Å; H335-L337 PolarHBondContact O-N 2.86Å; L337-K344 PolarHBondContact O-N 3.22Å; L337-W345 HydrophobicContact CD1-CE3 3.59Å; L337-W345 HydrophobicContact CD1-CZ3 3.97Å; L337-F358 HydrophobicContact CB-CZ 4.2Å; L337-F358 VanDerWaalsContact O-CE2 3.25Å; L337-F358 WeakPolarHBondContact O-CE2 3.16Å
338Y79.2Confident64.9Low35 Ų3586.2 Ų86.214%0.13751%0.506CS..BIsolated β-bridgetrans-135124.7178.6177-109.7000110.7H335 C352 F355 F358H335-Y338 CarbonylContact O-C 3.59Å; H335-Y338 PolarHBondContact O-N 2.95Å; Y338-C352 HydrophobicContact CE2-CB 4.07Å; Y338-C352 WeakPolarHBondContact CE2-O 3.48Å; Y338-C352 PolarHBondContact OH-O 3.49Å; Y338-F355 AromaticContact CD1-CD2 3.81Å; Y338-F355 HydrophobicContact CD1-CD2 3.81Å; Y338-F355 HydrophobicContact CE1-CB 4.2Å; Y338-F355 HydrophobicContact CE1-CD2 4.05Å; Y338-F355 PolarHBondContact OH-N 2.84Å; Y338-F358 HydrophobicContact CD2-CB 3.5Å; Y338-F358 VanDerWaalsContact CD2-CB 3.5Å; Y338-F358 HydrophobicContact CD2-CD1 4.21Å; Y338-F358 AromaticContact CD2-CD2 3.75Å; Y338-F358 HydrophobicContact CD2-CD2 3.75Å; Y338-F358 AromaticContact CD2-CG 3.52Å; Y338-F358 HydrophobicContact CD2-CG 3.52Å; Y338-F358 HydrophobicContact CE2-CB 3.77Å; Y338-F358 HydrophobicContact CE2-CG 4.3Å; Y338-F358 HydrophobicContact CG-CB 4.18Å; Y338-F358 HydrophobicContact CG-CD1 4.1Å; Y338-F358 HydrophobicContact CG-CD2 4.23Å; Y338-F358 AromaticContact CG-CG 3.87Å; Y338-F358 HydrophobicContact CG-CG 3.87Å
339G77.1Confident67.1Low16 Ų1686.5 Ų86.517%0.16551%0.508CS..  trans-179.2141.5172.600000113.3G341 V342 K344G339-G341 VanDerWaalsContact C-N 3.31Å; G339-V342 PolarHBondContact N-O 2.88Å; G339-V342 VanDerWaalsContact O-CG2 3.26Å; G339-V342 WeakPolarHBondContact O-CG2 3.39Å; G339-K344 WeakPolarHBondContact O-CE 3.4Å
340H73.5Confident69Low185 Ų18581.1 Ų81.186%0.85649%0.485SS*.SBendtrans60.733.7-164.5-48.2-76.5000113.9V342H340-V342 VanDerWaalsContact C-N 3.28Å; H340-V342 PolarHBondContact O-N 2.75Å
341G78.2Confident70.7Confident20 Ų2080.7 Ų80.721%0.20649%0.485CS..SBendtrans66.727176.700000114.2G339 M351 C352G339-G341 VanDerWaalsContact C-N 3.31Å; G341-M351 CarbonylContact O-C 3.58Å; G341-M351 WeakPolarHBondContact O-CA 3.22Å; G341-C352 CarbonylContact C-O 3.59Å; G341-C352 VanDerWaalsContact C-O 3.31Å; G341-C352 VanDerWaalsContact CA-O 3.25Å; G341-C352 WeakPolarHBondContact CA-O 3.46Å; G341-C352 CarbonylContact O-C 3.59Å; G341-C352 PolarHBondContact O-N 3.39Å
342V80.2Confident72.8Confident41 Ų4175.8 Ų75.825%0.24845%0.451CS..BIsolated β-bridgetrans-132.3148.7174.7-67.70000111.1G339 H340 K344 N350 M351G339-V342 PolarHBondContact N-O 2.88Å; G339-V342 VanDerWaalsContact O-CG2 3.26Å; G339-V342 WeakPolarHBondContact O-CG2 3.39Å; H340-V342 VanDerWaalsContact C-N 3.28Å; H340-V342 PolarHBondContact O-N 2.75Å; V342-K344 HydrophobicContact CG2-CG 4.37Å; V342-N350 WeakPolarHBondContact CA-O 3.17Å; V342-M351 HydrophobicContact CG1-CG 4.03Å
343C85.6Confident74.6Confident3 Ų380.1 Ų80.12%0.0245%0.454CS..BIsolated β-bridgetrans-63.9144.4160.2-168.70000109.8N350 F358 H361C343-N350 PolarHBondContact N-O 3.48Å; C343-F358 HydrophobicContact CB-CD2 4.34Å; C343-F358 HydrophobicContact CB-CE2 4.36Å; C343-H361 VanDerWaalsContact CB-NE2 3.32Å; C343-H361 WeakPolarHBondContact CB-NE2 3.2Å; C343-H361 PolarHBondContact SG-NE2 3.46Å
344K78.8Confident76Confident105 Ų10582.4 Ų82.446%0.45745%0.454SS..  trans-124.229175.6-60.3-171.5177.1-177.50112.1L337 G339 V342L337-K344 PolarHBondContact O-N 3.22Å; G339-K344 WeakPolarHBondContact O-CE 3.4Å; V342-K344 HydrophobicContact CG2-CG 4.37Å
345W79.8Confident77.2Confident97 Ų9780.2 Ų80.237%0.36743%0.434SS..SBendtrans-68141.4170.4-172-84.3000109.7L337 G347 C348 L362 H366L337-W345 HydrophobicContact CD1-CE3 3.59Å; L337-W345 HydrophobicContact CD1-CZ3 3.97Å; W345-G347 PolarHBondContact O-N 2.86Å; W345-C348 HydrophobicContact CB-CB 4.25Å; W345-C348 PolarHBondContact O-N 3.21Å; W345-L362 HydrophobicContact CE3-CD1 3.88Å; W345-L362 HydrophobicContact CZ3-CD1 4.2Å; W345-H366 WeakPolarHBondContact CB-CD2 3.35Å; W345-H366 VanDerWaalsContact CB-NE2 3.33Å; W345-H366 WeakPolarHBondContact CB-NE2 3.43Å; W345-H366 AromaticContact CD1-CD2 3.97Å; W345-H366 AromaticContact CD1-CE1 3.99Å; W345-H366 AromaticContact CD1-NE2 3.95Å; W345-H366 HydrophobicContact CD2-CB 4.01Å; W345-H366 AromaticContact CD2-CD2 3.7Å; W345-H366 AromaticContact CD2-CG 3.79Å; W345-H366 HydrophobicContact CE3-CB 4.08Å; W345-H366 HydrophobicContact CG-CB 4.49Å; W345-H366 AromaticContact CG-CD2 3.38Å; W345-H366 AromaticContact CG-CG 3.76Å; W345-H366 AromaticContact CG-NE2 3.61Å; W345-H366 HydrophobicContact CZ2-CB 4.47Å; W345-H366 HydrophobicContact CZ3-CB 4.37Å
346P75.8Confident77.9Confident113 Ų11379.3 Ų79.373%0.73444%0.441SS*.THydrogen-bonded Turntrans-57112.7-178.4-26.835.8000112.6
347G66.9Low78.2Confident91 Ų9177 Ų7794%0.93842%0.42SS*.THydrogen-bonded Turntrans87.79.8-178.100000115.6W345W345-G347 PolarHBondContact O-N 2.86Å
348C74.6Confident78.6Confident13 Ų1374.6 Ų74.69%0.08841%0.407CS..  trans-126.2131.4170.1-178.70000111W345 N350 H361 H366W345-C348 HydrophobicContact CB-CB 4.25Å; W345-C348 PolarHBondContact O-N 3.21Å; C348-N350 PolarHBondContact SG-OD1 3.43Å; C348-H361 PolarHBondContact SG-CE1 2.83Å; C348-H366 WeakPolarHBondContact CB-CE1 3.21Å; C348-H366 VanDerWaalsContact CB-NE2 3.28Å; C348-H366 WeakPolarHBondContact CB-NE2 3.44Å; C348-H366 VanDerWaalsContact SG-CE1 3.6Å; C348-H366 PolarHBondContact SG-NE2 3.28Å; C348-H366 VanDerWaalsContact SG-NE2 3.41Å
349E75.1Confident78.8Confident171 Ų17176.7 Ų76.780%0.79942%0.42SS*.  trans-122.721-178.5-57.6-173.9149.800111.1M351E349-M351 PolarHBondContact O-N 3.04Å
350N78.1Confident79Confident61 Ų6183.4 Ų83.433%0.32645%0.445SS..  trans-59.7129.1-174.5-7225000111.2V342 C343 C348 H361 E365V342-N350 WeakPolarHBondContact CA-O 3.17Å; C343-N350 PolarHBondContact N-O 3.48Å; C348-N350 PolarHBondContact SG-OD1 3.43Å; N350-H361 PolarHBondContact ND2-CE1 2.95Å; N350-H361 PolarHBondContact ND2-ND1 3.44Å; N350-E365 PolarHBondContact ND2-OE1 2.86Å; N350-E365 PolarHBondContact ND2-OE2 3.43Å
351M79.1Confident79.5Confident161 Ų16175.2 Ų75.279%0.79341%0.407SS*.BIsolated β-bridgetrans-69.2134173.2-63.7176.268.700110G341 V342 E349G341-M351 CarbonylContact O-C 3.58Å; G341-M351 WeakPolarHBondContact O-CA 3.22Å; V342-M351 HydrophobicContact CG1-CG 4.03Å; E349-M351 PolarHBondContact O-N 3.04Å
352C80.9Confident79.7Confident4 Ų475.7 Ų75.73%0.02741%0.405CS..  trans-138.8100-178.3-70.50000106.6Y338 G341 D354 Q357 F358Y338-C352 HydrophobicContact CE2-CB 4.07Å; Y338-C352 WeakPolarHBondContact CE2-O 3.48Å; Y338-C352 PolarHBondContact OH-O 3.49Å; G341-C352 CarbonylContact C-O 3.59Å; G341-C352 VanDerWaalsContact C-O 3.31Å; G341-C352 VanDerWaalsContact CA-O 3.25Å; G341-C352 WeakPolarHBondContact CA-O 3.46Å; G341-C352 CarbonylContact O-C 3.59Å; G341-C352 PolarHBondContact O-N 3.39Å; C352-D354 VanDerWaalsContact C-N 3.28Å; C352-D354 PolarHBondContact O-N 2.86Å; C352-Q357 HydrophobicContact CB-CB 4.46Å; C352-F358 HydrophobicContact CB-CB 3.8Å
353E79.9Confident79.7Confident156 Ų15679.4 Ų79.473%0.72942%0.423SS*.SBendtrans-68.4-32.4-169.3-54.5169.8140.800111.7Q357E353-Q357 PolarHBondContact OE2-NE2 3.01Å
354D80.4Confident79.4Confident97 Ų9783.3 Ų83.352%0.51945%0.45SS..SBendtrans-114.6153.4173.4-67.6-74.8000112.6C352 G356 Q357 F358C352-D354 VanDerWaalsContact C-N 3.28Å; C352-D354 PolarHBondContact O-N 2.86Å; D354-G356 PolarHBondContact O-N 3.17Å; D354-Q357 HydrophobicContact CB-CB 4.39Å; D354-Q357 HydrophobicContact CB-CG 4.07Å; D354-Q357 WeakPolarHBondContact O-CA 3.46Å; D354-Q357 WeakPolarHBondContact O-CB 3.32Å; D354-Q357 PolarHBondContact O-N 3.44Å; D354-Q357 PolarHBondContact OD2-NE2 3.43Å; D354-F358 PolarHBondContact O-N 2.99Å
355F78.9Confident79.1Confident84 Ų8483.4 Ų83.437%0.36845%0.452SS..Hα-helixtrans-53.6-35.9164.6-171.5-90000112.3G333 H335 Y338 F358 L359G333-F355 VanDerWaalsContact O-CD2 3.29Å; G333-F355 WeakPolarHBondContact O-CD2 3.33Å; H335-F355 HydrophobicContact CB-CE2 3.69Å; H335-F355 HydrophobicContact CB-CZ 4.25Å; Y338-F355 AromaticContact CD1-CD2 3.81Å; Y338-F355 HydrophobicContact CD1-CD2 3.81Å; Y338-F355 HydrophobicContact CE1-CB 4.2Å; Y338-F355 HydrophobicContact CE1-CD2 4.05Å; Y338-F355 PolarHBondContact OH-N 2.84Å; F355-F358 PolarHBondContact O-N 3.08Å; F355-L359 HydrophobicContact CE1-CD1 4.33Å; F355-L359 WeakPolarHBondContact O-CB 3.45Å; F355-L359 PolarHBondContact O-N 3.41Å
356G83.1Confident78.9Confident42 Ų4280.3 Ų80.343%0.43344%0.442SS..Hα-helixtrans-72.8-22.2175.900000114.6D354 K360D354-G356 PolarHBondContact O-N 3.17Å; G356-K360 WeakPolarHBondContact O-CG 3.25Å
357Q82Confident78.5Confident72 Ų7278 Ų7834%0.33643%0.432SS..Hα-helixtrans-78.3-46.8168.8-66.5-17835.600109.9C352 E353 D354 L359 K360 H361C352-Q357 HydrophobicContact CB-CB 4.46Å; E353-Q357 PolarHBondContact OE2-NE2 3.01Å; D354-Q357 HydrophobicContact CB-CB 4.39Å; D354-Q357 HydrophobicContact CB-CG 4.07Å; D354-Q357 WeakPolarHBondContact O-CA 3.46Å; D354-Q357 WeakPolarHBondContact O-CB 3.32Å; D354-Q357 PolarHBondContact O-N 3.44Å; D354-Q357 PolarHBondContact OD2-NE2 3.43Å; Q357-L359 VanDerWaalsContact C-N 3.29Å; Q357-L359 PolarHBondContact O-N 2.87Å; Q357-K360 WeakPolarHBondContact O-CB 3.46Å; Q357-K360 PolarHBondContact O-N 3.32Å; Q357-H361 PolarHBondContact O-N 2.86Å
358F84.6Confident78.6Confident0 Ų079.6 Ų79.60%042%0.418CS..Hα-helixtrans-52.8-45.6174.4166.5-98.8000112.2H335 L337 Y338 C343 C352 D354 F355 K360 H361 L362H335-F358 HydrophobicContact CB-CE1 4.18Å; H335-F358 AromaticContact CE1-CE1 3.85Å; H335-F358 AromaticContact CE1-CZ 3.68Å; H335-F358 AromaticContact CG-CE1 3.84Å; H335-F358 AromaticContact ND1-CE1 3.27Å; H335-F358 VanDerWaalsContact ND1-CE1 3.27Å; H335-F358 WeakPolarHBondContact ND1-CE1 3.18Å; H335-F358 AromaticContact ND1-CZ 3.26Å; H335-F358 VanDerWaalsContact ND1-CZ 3.26Å; H335-F358 WeakPolarHBondContact ND1-CZ 3.4Å; L337-F358 HydrophobicContact CB-CZ 4.2Å; L337-F358 VanDerWaalsContact O-CE2 3.25Å; L337-F358 WeakPolarHBondContact O-CE2 3.16Å; Y338-F358 HydrophobicContact CD2-CB 3.5Å; Y338-F358 VanDerWaalsContact CD2-CB 3.5Å; Y338-F358 HydrophobicContact CD2-CD1 4.21Å; Y338-F358 AromaticContact CD2-CD2 3.75Å; Y338-F358 HydrophobicContact CD2-CD2 3.75Å; Y338-F358 AromaticContact CD2-CG 3.52Å; Y338-F358 HydrophobicContact CD2-CG 3.52Å; Y338-F358 HydrophobicContact CE2-CB 3.77Å; Y338-F358 HydrophobicContact CE2-CG 4.3Å; Y338-F358 HydrophobicContact CG-CB 4.18Å; Y338-F358 HydrophobicContact CG-CD1 4.1Å; Y338-F358 HydrophobicContact CG-CD2 4.23Å; Y338-F358 AromaticContact CG-CG 3.87Å; Y338-F358 HydrophobicContact CG-CG 3.87Å; C343-F358 HydrophobicContact CB-CD2 4.34Å; C343-F358 HydrophobicContact CB-CE2 4.36Å; C352-F358 HydrophobicContact CB-CB 3.8Å; D354-F358 PolarHBondContact O-N 2.99Å; F355-F358 PolarHBondContact O-N 3.08Å; F358-K360 VanDerWaalsContact C-N 3.26Å; F358-K360 PolarHBondContact O-N 3.42Å; F358-H361 PolarHBondContact O-N 2.88Å; F358-L362 HydrophobicContact CE1-CD2 4.09Å; F358-L362 HydrophobicContact CE2-CB 4.46Å; F358-L362 HydrophobicContact CE2-CD1 4.45Å; F358-L362 HydrophobicContact CZ-CB 4.26Å; F358-L362 HydrophobicContact CZ-CD1 4.14Å; F358-L362 HydrophobicContact CZ-CD2 3.91Å; F358-L362 HydrophobicContact CZ-CG 4.34Å; F358-L362 WeakPolarHBondContact O-CB 3.43Å; F358-L362 PolarHBondContact O-N 3.49Å
359L82.4Confident78.7Confident79 Ų7984.8 Ų84.841%0.41445%0.445SS..Hα-helixtrans-67.1-25.4-179.2-14676.2000113.1F355 Q357 N363F355-L359 HydrophobicContact CE1-CD1 4.33Å; F355-L359 WeakPolarHBondContact O-CB 3.45Å; F355-L359 PolarHBondContact O-N 3.41Å; Q357-L359 VanDerWaalsContact C-N 3.29Å; Q357-L359 PolarHBondContact O-N 2.87Å; L359-N363 PolarHBondContact O-ND2 2.87Å
360K81.6Confident78.6Confident157 Ų15783.7 Ų83.768%0.68345%0.445SS*.Hα-helixtrans-75.7-52.4171.3-69.9171.4-177.3175.60110.5G356 Q357 F358 L362 N363 S364G356-K360 WeakPolarHBondContact O-CG 3.25Å; Q357-K360 WeakPolarHBondContact O-CB 3.46Å; Q357-K360 PolarHBondContact O-N 3.32Å; F358-K360 VanDerWaalsContact C-N 3.26Å; F358-K360 PolarHBondContact O-N 3.42Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-L362 PolarHBondContact O-N 2.82Å; K360-N363 CarbonylContact O-C 3.57Å; K360-N363 WeakPolarHBondContact O-CA 3.29Å; K360-N363 PolarHBondContact O-N 3.25Å; K360-S364 PolarHBondContact O-N 3.29Å; K360-S364 PolarHBondContact O-OG 3.49Å
361H84.1Confident78.1Confident13 Ų1390 Ų906%0.0646%0.464CS..Hα-helixtrans-52.3-48.1177.9161.367.7000112.4C343 C348 N350 Q357 F358 N363 S364 E365 H366C343-H361 VanDerWaalsContact CB-NE2 3.32Å; C343-H361 WeakPolarHBondContact CB-NE2 3.2Å; C343-H361 PolarHBondContact SG-NE2 3.46Å; C348-H361 PolarHBondContact SG-CE1 2.83Å; N350-H361 PolarHBondContact ND2-CE1 2.95Å; N350-H361 PolarHBondContact ND2-ND1 3.44Å; Q357-H361 PolarHBondContact O-N 2.86Å; F358-H361 PolarHBondContact O-N 2.88Å; H361-N363 VanDerWaalsContact C-N 3.26Å; H361-N363 PolarHBondContact O-N 3.4Å; H361-S364 WeakPolarHBondContact CA-OG 3.28Å; H361-S364 PolarHBondContact O-N 2.9Å; H361-S364 VanDerWaalsContact O-N 3.11Å; H361-S364 PolarHBondContact O-OG 3.3Å; H361-E365 IonicContact CE1-OE1 2.96Å; H361-E365 PolarHBondContact CE1-OE1 2.83Å; H361-E365 IonicContact CE1-OE2 3.69Å; H361-E365 IonicContact CG-OE1 3.84Å; H361-E365 IonicContact ND1-OE1 2.69Å; H361-E365 PolarHBondContact ND1-OE1 3.39Å; H361-E365 IonicContact ND1-OE2 3.87Å; H361-E365 PolarHBondContact O-N 3.46Å; H361-H366 AromaticContact CE1-NE2 3.79Å; H361-H366 AromaticContact NE2-CD2 3.93Å; H361-H366 AromaticContact NE2-NE2 3.41Å; H361-H366 PolarHBondContact NE2-NE2 3.32Å
362L83Confident78.1Confident30 Ų3084.1 Ų84.116%0.15744%0.439CS..Hα-helixtrans-57.4-37.8176.2-174.173.9000112.4W345 F358 K360 H366 A367W345-L362 HydrophobicContact CE3-CD1 3.88Å; W345-L362 HydrophobicContact CZ3-CD1 4.2Å; F358-L362 HydrophobicContact CE1-CD2 4.09Å; F358-L362 HydrophobicContact CE2-CB 4.46Å; F358-L362 HydrophobicContact CE2-CD1 4.45Å; F358-L362 HydrophobicContact CZ-CB 4.26Å; F358-L362 HydrophobicContact CZ-CD1 4.14Å; F358-L362 HydrophobicContact CZ-CD2 3.91Å; F358-L362 HydrophobicContact CZ-CG 4.34Å; F358-L362 WeakPolarHBondContact O-CB 3.43Å; F358-L362 PolarHBondContact O-N 3.49Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-L362 PolarHBondContact O-N 2.82Å; L362-H366 HydrophobicContact CD1-CB 4.1Å; L362-H366 CarbonylContact O-C 3.58Å; L362-H366 WeakPolarHBondContact O-CA 3.47Å; L362-H366 WeakPolarHBondContact O-CB 3.47Å; L362-H366 PolarHBondContact O-N 3.27Å; L362-A367 PolarHBondContact O-N 3.37Å
363N80.3Confident78.2Confident119 Ų11985.7 Ų85.764%0.63645%0.449SS*.Hα-helixtrans-83.7-14.4179.4-78.6-73.1000114L359 K360 H361L359-N363 PolarHBondContact O-ND2 2.87Å; K360-N363 CarbonylContact O-C 3.57Å; K360-N363 WeakPolarHBondContact O-CA 3.29Å; K360-N363 PolarHBondContact O-N 3.25Å; H361-N363 VanDerWaalsContact C-N 3.26Å; H361-N363 PolarHBondContact O-N 3.4Å
364S78.3Confident78.2Confident84 Ų8480.6 Ų80.659%0.58743%0.433SS*.Hα-helixtrans-102.9-37.5178.857.40000114K360 H361K360-S364 PolarHBondContact O-N 3.29Å; K360-S364 PolarHBondContact O-OG 3.49Å; H361-S364 WeakPolarHBondContact CA-OG 3.28Å; H361-S364 PolarHBondContact O-N 2.9Å; H361-S364 VanDerWaalsContact O-N 3.11Å; H361-S364 PolarHBondContact O-OG 3.3Å
365E72.9Confident78.2Confident108 Ų10881.5 Ų81.551%0.50543%0.434SS..Hα-helixtrans-107.9-17.8-175.1-68.1175.9-109.800113N350 H361N350-E365 PolarHBondContact ND2-OE1 2.86Å; N350-E365 PolarHBondContact ND2-OE2 3.43Å; H361-E365 IonicContact CE1-OE1 2.96Å; H361-E365 PolarHBondContact CE1-OE1 2.83Å; H361-E365 IonicContact CE1-OE2 3.69Å; H361-E365 IonicContact CG-OE1 3.84Å; H361-E365 IonicContact ND1-OE1 2.69Å; H361-E365 PolarHBondContact ND1-OE1 3.39Å; H361-E365 IonicContact ND1-OE2 3.87Å; H361-E365 PolarHBondContact O-N 3.46Å
366H74.8Confident78.6Confident31 Ų3181 Ų8114%0.14444%0.44CS..SBendtrans-122.624.8176.7-54.4-23.4000112.4W345 C348 H361 L362 L368W345-H366 WeakPolarHBondContact CB-CD2 3.35Å; W345-H366 VanDerWaalsContact CB-NE2 3.33Å; W345-H366 WeakPolarHBondContact CB-NE2 3.43Å; W345-H366 AromaticContact CD1-CD2 3.97Å; W345-H366 AromaticContact CD1-CE1 3.99Å; W345-H366 AromaticContact CD1-NE2 3.95Å; W345-H366 HydrophobicContact CD2-CB 4.01Å; W345-H366 AromaticContact CD2-CD2 3.7Å; W345-H366 AromaticContact CD2-CG 3.79Å; W345-H366 HydrophobicContact CE3-CB 4.08Å; W345-H366 HydrophobicContact CG-CB 4.49Å; W345-H366 AromaticContact CG-CD2 3.38Å; W345-H366 AromaticContact CG-CG 3.76Å; W345-H366 AromaticContact CG-NE2 3.61Å; W345-H366 HydrophobicContact CZ2-CB 4.47Å; W345-H366 HydrophobicContact CZ3-CB 4.37Å; C348-H366 WeakPolarHBondContact CB-CE1 3.21Å; C348-H366 VanDerWaalsContact CB-NE2 3.28Å; C348-H366 WeakPolarHBondContact CB-NE2 3.44Å; C348-H366 VanDerWaalsContact SG-CE1 3.6Å; C348-H366 PolarHBondContact SG-NE2 3.28Å; C348-H366 VanDerWaalsContact SG-NE2 3.41Å; H361-H366 AromaticContact CE1-NE2 3.79Å; H361-H366 AromaticContact NE2-CD2 3.93Å; H361-H366 AromaticContact NE2-NE2 3.41Å; H361-H366 PolarHBondContact NE2-NE2 3.32Å; L362-H366 HydrophobicContact CD1-CB 4.1Å; L362-H366 CarbonylContact O-C 3.58Å; L362-H366 WeakPolarHBondContact O-CA 3.47Å; L362-H366 WeakPolarHBondContact O-CB 3.47Å; L362-H366 PolarHBondContact O-N 3.27Å; H366-L368 PolarHBondContact O-N 2.87Å
367A68.1Low78.9Confident64 Ų6486.6 Ų86.653%0.52945%0.448SS..SBendtrans-56.7134.1161.900000109.6L362 D369L362-A367 PolarHBondContact O-N 3.37Å; A367-D369 PolarHBondContact O-N 3.44Å
368L69.3Low79.4Confident125 Ų12587 Ų8765%0.65446%0.456SS*.  trans-62109175.5-74.7173000109.9H366 D370 T373H366-L368 PolarHBondContact O-N 2.87Å; L368-D370 PolarHBondContact O-N 3.08Å; L368-T373 WeakPolarHBondContact CB-OG1 3.35Å; L368-T373 PolarHBondContact O-OG1 3.12Å
369D75.6Confident79.4Confident122 Ų12293.3 Ų93.365%0.65249%0.485SS*.  trans-29.7136.5176.8-76.8-36.1000111.8A367 R371 S372 T373A367-D369 PolarHBondContact O-N 3.44Å; D369-R371 HydrophobicContact CB-CB 4.47Å; D369-R371 CarbonylContact O-C 3.54Å; D369-R371 PolarHBondContact O-N 3.29Å; D369-S372 PolarHBondContact N-OG 2.82Å; D369-S372 CarbonylContact O-C 3.31Å; D369-S372 WeakPolarHBondContact O-CA 3.5Å; D369-S372 PolarHBondContact O-N 3.26Å; D369-S372 PolarHBondContact O-OG 2.98Å; D369-T373 PolarHBondContact O-N 2.73Å
370D74.3Confident79.8Confident148 Ų14895.6 Ų95.679%0.79150%0.495SS*.Hα-helixtrans-51.1-32.8175.9-78.5-51.6000112.5L368 A374L368-D370 PolarHBondContact O-N 3.08Å; D370-A374 WeakPolarHBondContact O-CB 3.28Å; D370-A374 PolarHBondContact O-N 3.27Å
371R66.5Low80.3Confident195 Ų19594.3 Ų94.374%0.73649%0.491SS*.Hα-helixtrans-62.8-46.7171.4-179.9179.2-73166.9-2.3113D369 Q375D369-R371 HydrophobicContact CB-CB 4.47Å; D369-R371 CarbonylContact O-C 3.54Å; D369-R371 PolarHBondContact O-N 3.29Å; R371-Q375 WeakPolarHBondContact O-CB 3.36Å; R371-Q375 WeakPolarHBondContact O-CG 3.41Å; R371-Q375 PolarHBondContact O-N 3.43Å
372S79.9Confident80.8Confident37 Ų3797.5 Ų97.526%0.25951%0.511SS..Hα-helixtrans-71-41.1178.975.70000111.6D369 A374 Q375 C376D369-S372 PolarHBondContact N-OG 2.82Å; D369-S372 CarbonylContact O-C 3.31Å; D369-S372 WeakPolarHBondContact O-CA 3.5Å; D369-S372 PolarHBondContact O-N 3.26Å; D369-S372 PolarHBondContact O-OG 2.98Å; S372-A374 VanDerWaalsContact C-N 3.34Å; S372-A374 PolarHBondContact O-N 2.82Å; S372-Q375 PolarHBondContact O-N 3.36Å; S372-C376 WeakPolarHBondContact O-CB 3.33Å; S372-C376 PolarHBondContact O-N 3.4Å
373T82.4Confident81.4Confident37 Ų3799.9 Ų99.923%0.22753%0.527CS..Hα-helixtrans-61.8-40173.2-72.90000111.4L368 D369 R377L368-T373 WeakPolarHBondContact CB-OG1 3.35Å; L368-T373 PolarHBondContact O-OG1 3.12Å; D369-T373 PolarHBondContact O-N 2.73Å; T373-R377 WeakPolarHBondContact O-CD 3.04Å; T373-R377 VanDerWaalsContact O-CG 3.29Å; T373-R377 WeakPolarHBondContact O-CG 3.4Å; T373-R377 PolarHBondContact O-N 3.41Å
374A79.4Confident82Confident48 Ų4899.8 Ų99.840%0.39752%0.523SS..Hα-helixtrans-67.5-44.2172.200000112.3D370 S372 C376 R377 V378D370-A374 WeakPolarHBondContact O-CB 3.28Å; D370-A374 PolarHBondContact O-N 3.27Å; S372-A374 VanDerWaalsContact C-N 3.34Å; S372-A374 PolarHBondContact O-N 2.82Å; A374-C376 VanDerWaalsContact C-N 3.34Å; A374-C376 PolarHBondContact O-N 2.92Å; A374-R377 PolarHBondContact O-N 2.93Å; A374-V378 WeakPolarHBondContact O-CG2 3.43Å; A374-V378 PolarHBondContact O-N 3.19Å
375Q81.3Confident82.7Confident116 Ų116101.2 Ų101.254%0.54252%0.52SS..Hα-helixtrans-60.7-40.8176.2-78.7-179.1-0.900112.3R371 S372 R377 V378 Q379R371-Q375 WeakPolarHBondContact O-CB 3.36Å; R371-Q375 WeakPolarHBondContact O-CG 3.41Å; R371-Q375 PolarHBondContact O-N 3.43Å; S372-Q375 PolarHBondContact O-N 3.36Å; Q375-R377 PolarHBondContact O-N 3.43Å; Q375-V378 PolarHBondContact O-N 2.92Å; Q375-Q379 WeakPolarHBondContact O-CB 3.4Å; Q375-Q379 WeakPolarHBondContact O-CG 3.36Å; Q375-Q379 PolarHBondContact O-N 3.19Å
376C86.6Confident83.8Confident73 Ų73100.7 Ų100.749%0.49352%0.521SS..Hα-helixtrans-59.1-45.2173.7-179.20000111.7S372 A374 V378 Q379 M380S372-C376 WeakPolarHBondContact O-CB 3.33Å; S372-C376 PolarHBondContact O-N 3.4Å; A374-C376 VanDerWaalsContact C-N 3.34Å; A374-C376 PolarHBondContact O-N 2.92Å; C376-V378 PolarHBondContact O-N 2.93Å; C376-Q379 PolarHBondContact O-N 2.96Å; C376-M380 WeakPolarHBondContact O-CB 3.41Å; C376-M380 PolarHBondContact O-N 3.36Å
377R88.6Confident84.8Confident160 Ų160105.2 Ų105.260%0.60454%0.542SS*.Hα-helixtrans-62.7-41.8176-67.8166.2-167.5-97.94.4112.1T373 A374 Q375 M380 Q381T373-R377 WeakPolarHBondContact O-CD 3.04Å; T373-R377 VanDerWaalsContact O-CG 3.29Å; T373-R377 WeakPolarHBondContact O-CG 3.4Å; T373-R377 PolarHBondContact O-N 3.41Å; A374-R377 PolarHBondContact O-N 2.93Å; Q375-R377 PolarHBondContact O-N 3.43Å; R377-M380 PolarHBondContact O-N 2.87Å; R377-Q381 WeakPolarHBondContact O-CG 3.48Å; R377-Q381 PolarHBondContact O-N 2.95Å
378V93.1Very high86.1Confident82 Ų82105.3 Ų105.350%0.49753%0.533SS..Hα-helixtrans-66.4-44.3176.5171.60000111.4A374 Q375 C376 M380 Q381 V382A374-V378 WeakPolarHBondContact O-CG2 3.43Å; A374-V378 PolarHBondContact O-N 3.19Å; Q375-V378 PolarHBondContact O-N 2.92Å; C376-V378 PolarHBondContact O-N 2.93Å; V378-M380 VanDerWaalsContact C-N 3.33Å; V378-M380 PolarHBondContact O-N 3.42Å; V378-Q381 WeakPolarHBondContact O-CB 3.45Å; V378-Q381 PolarHBondContact O-N 3.3Å; V378-V382 WeakPolarHBondContact O-CG2 3.45Å; V378-V382 PolarHBondContact O-N 3.29Å
379Q85.7Confident87.2Confident132 Ų132104.7 Ų104.762%0.61753%0.526SS*.Hα-helixtrans-59.7-43174.9-76-179.1-3.700111.5Q375 C376 Q381 V382 V383Q375-Q379 WeakPolarHBondContact O-CB 3.4Å; Q375-Q379 WeakPolarHBondContact O-CG 3.36Å; Q375-Q379 PolarHBondContact O-N 3.19Å; C376-Q379 PolarHBondContact O-N 2.96Å; Q379-Q381 VanDerWaalsContact C-N 3.33Å; Q379-Q381 PolarHBondContact O-N 3.19Å; Q379-V382 PolarHBondContact O-N 2.98Å; Q379-V382 VanDerWaalsContact O-N 3.17Å; Q379-V383 WeakPolarHBondContact O-CG2 3.29Å; Q379-V383 PolarHBondContact O-N 2.89Å
380M90.3Very high88.3Confident126 Ų126104.9 Ų104.962%0.62153%0.527SS*.Hα-helixtrans-64.8-34.6176.6-175.816047.400112.7C376 R377 V378 Q384C376-M380 WeakPolarHBondContact O-CB 3.41Å; C376-M380 PolarHBondContact O-N 3.36Å; R377-M380 PolarHBondContact O-N 2.87Å; V378-M380 VanDerWaalsContact C-N 3.33Å; V378-M380 PolarHBondContact O-N 3.42Å; M380-Q384 WeakPolarHBondContact O-CB 3.39Å; M380-Q384 PolarHBondContact O-N 2.94Å
381Q91.2Very high89.2Confident130 Ų130100.9 Ų100.961%0.60751%0.51SS*.Hα-helixtrans-66.3-41.2170.1-74.7-179.9-17.500112.5R377 V378 Q379 Q384 Q385R377-Q381 WeakPolarHBondContact O-CG 3.48Å; R377-Q381 PolarHBondContact O-N 2.95Å; V378-Q381 WeakPolarHBondContact O-CB 3.45Å; V378-Q381 PolarHBondContact O-N 3.3Å; Q379-Q381 VanDerWaalsContact C-N 3.33Å; Q379-Q381 PolarHBondContact O-N 3.19Å; Q381-Q384 PolarHBondContact O-N 3.46Å; Q381-Q385 WeakPolarHBondContact O-CB 3.46Å; Q381-Q385 PolarHBondContact O-N 2.83Å
382V95.6Very high90.5Very high80 Ų8097.5 Ų97.549%0.48550%0.501SS..Hα-helixtrans-64-43.8176.2171.10000111.1V378 Q379 Q385 L386V378-V382 WeakPolarHBondContact O-CG2 3.45Å; V378-V382 PolarHBondContact O-N 3.29Å; Q379-V382 PolarHBondContact O-N 2.98Å; Q379-V382 VanDerWaalsContact O-N 3.17Å; V382-Q385 PolarHBondContact O-N 3.35Å; V382-L386 HydrophobicContact CG1-CD1 4.1Å; V382-L386 WeakPolarHBondContact O-CG 3.47Å; V382-L386 PolarHBondContact O-N 2.73Å
383V95.8Very high91.1Very high80 Ų80100.2 Ų100.249%0.48551%0.51SS..Hα-helixtrans-61-48.8175171.50000110.8Q379 Q385 L386 E387Q379-V383 WeakPolarHBondContact O-CG2 3.29Å; Q379-V383 PolarHBondContact O-N 2.89Å; V383-Q385 VanDerWaalsContact C-N 3.29Å; V383-Q385 PolarHBondContact O-N 3.01Å; V383-L386 WeakPolarHBondContact O-CB 3.5Å; V383-L386 PolarHBondContact O-N 3.35Å; V383-L386 VanDerWaalsContact O-N 3.08Å; V383-E387 HydrophobicContact CG1-CG 4.48Å; V383-E387 WeakPolarHBondContact O-CG 3.39Å; V383-E387 PolarHBondContact O-N 3.18Å
384Q93.3Very high91.7Very high117 Ų117107.3 Ų107.355%0.54753%0.532SS..Hα-helixtrans-58.6-39.3176.5177168.187.100112.5M380 Q381 E387 I388M380-Q384 WeakPolarHBondContact O-CB 3.39Å; M380-Q384 PolarHBondContact O-N 2.94Å; Q381-Q384 PolarHBondContact O-N 3.46Å; Q384-E387 PolarHBondContact O-N 3.03Å; Q384-I388 HydrophobicContact CG-CD1 4.12Å; Q384-I388 VanDerWaalsContact O-CG1 3.26Å; Q384-I388 WeakPolarHBondContact O-CG1 3.46Å; Q384-I388 PolarHBondContact O-N 3.11Å
385Q92.4Very high92.4Very high114 Ų114111.7 Ų111.753%0.53354%0.544SS..Hα-helixtrans-66.4-38.2175.6-179.361.813.400112.1Q381 V382 V383 I388 Q389Q381-Q385 WeakPolarHBondContact O-CB 3.46Å; Q381-Q385 PolarHBondContact O-N 2.83Å; V382-Q385 PolarHBondContact O-N 3.35Å; V383-Q385 VanDerWaalsContact C-N 3.29Å; V383-Q385 PolarHBondContact O-N 3.01Å; Q385-I388 PolarHBondContact O-N 3.31Å; Q385-Q389 WeakPolarHBondContact O-CB 3.44Å; Q385-Q389 PolarHBondContact O-N 2.78Å
386L96Very high92.9Very high98 Ų98112.9 Ų112.951%0.51354%0.544SS..Hα-helixtrans-67.5-39.2174.3-70.9168.9000112.1V382 V383 Q389 L390V382-L386 HydrophobicContact CG1-CD1 4.1Å; V382-L386 WeakPolarHBondContact O-CG 3.47Å; V382-L386 PolarHBondContact O-N 2.73Å; V383-L386 WeakPolarHBondContact O-CB 3.5Å; V383-L386 PolarHBondContact O-N 3.35Å; V383-L386 VanDerWaalsContact O-N 3.08Å; L386-Q389 PolarHBondContact O-N 2.97Å; L386-L390 VanDerWaalsContact O-CB 3.31Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 PolarHBondContact O-N 3.37Å
387E94.7Very high93.2Very high125 Ų125114 Ų11458%0.58455%0.545SS*.Hα-helixtrans-61.2-43172.4-70.3179.6152.300111.7V383 Q384 Q389 L390 S391V383-E387 HydrophobicContact CG1-CG 4.48Å; V383-E387 WeakPolarHBondContact O-CG 3.39Å; V383-E387 PolarHBondContact O-N 3.18Å; Q384-E387 PolarHBondContact O-N 3.03Å; E387-Q389 VanDerWaalsContact C-N 3.34Å; E387-Q389 PolarHBondContact O-N 3.35Å; E387-L390 PolarHBondContact O-N 3.11Å; E387-S391 WeakPolarHBondContact O-CB 3.26Å; E387-S391 PolarHBondContact O-N 3.42Å; E387-S391 PolarHBondContact O-OG 3.28Å
388I95.3Very high93.4Very high67 Ų67111.8 Ų111.834%0.34454%0.541SS..Hα-helixtrans-63.9-40.1175.2-68.5166.6000110.7Q384 Q385 S391 K392Q384-I388 HydrophobicContact CG-CD1 4.12Å; Q384-I388 VanDerWaalsContact O-CG1 3.26Å; Q384-I388 WeakPolarHBondContact O-CG1 3.46Å; Q384-I388 PolarHBondContact O-N 3.11Å; Q385-I388 PolarHBondContact O-N 3.31Å; I388-S391 PolarHBondContact O-OG 3.4Å; I388-K392 HydrophobicContact CG2-CD 4.37Å; I388-K392 WeakPolarHBondContact O-CG 3.35Å; I388-K392 PolarHBondContact O-N 2.95Å
389Q94.1Very high93.2Very high112 Ų112110.4 Ų110.452%0.52354%0.538SS..Hα-helixtrans-67-42.7175.9-175.7171.6-15.200112.2Q385 L386 E387 K392 E393Q385-Q389 WeakPolarHBondContact O-CB 3.44Å; Q385-Q389 PolarHBondContact O-N 2.78Å; L386-Q389 PolarHBondContact O-N 2.97Å; E387-Q389 VanDerWaalsContact C-N 3.34Å; E387-Q389 PolarHBondContact O-N 3.35Å; Q389-K392 PolarHBondContact O-N 3.14Å; Q389-E393 PolarHBondContact O-N 3.24Å
390L96.8Very high93.5Very high125 Ų125109 Ų10965%0.65453%0.533SS*.Hα-helixtrans-65.8-38178.1-169.1153000111.6L386 E387 E393 R394L386-L390 VanDerWaalsContact O-CB 3.31Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 PolarHBondContact O-N 3.37Å; E387-L390 PolarHBondContact O-N 3.11Å; L390-E393 PolarHBondContact O-N 3.49Å; L390-R394 VanDerWaalsContact O-CB 3.28Å; L390-R394 WeakPolarHBondContact O-CB 3.28Å; L390-R394 PolarHBondContact O-N 3.13Å
391S93.8Very high93.3Very high64 Ų64107.3 Ų107.345%0.44852%0.524SS..Hα-helixtrans-65-38.6174.266.40000112.6E387 I388 R394 E395E387-S391 WeakPolarHBondContact O-CB 3.26Å; E387-S391 PolarHBondContact O-N 3.42Å; E387-S391 PolarHBondContact O-OG 3.28Å; I388-S391 PolarHBondContact O-OG 3.4Å; S391-R394 PolarHBondContact O-N 3.32Å; S391-E395 PolarHBondContact O-N 3.49Å
392K94Very high92.6Very high125 Ų125104.5 Ų104.554%0.54352%0.516SS..Hα-helixtrans-67.2-43.5174.7-72.5171-178.2175.60112.9I388 Q389 R394 E395 R396I388-K392 HydrophobicContact CG2-CD 4.37Å; I388-K392 WeakPolarHBondContact O-CG 3.35Å; I388-K392 PolarHBondContact O-N 2.95Å; Q389-K392 PolarHBondContact O-N 3.14Å; K392-R394 VanDerWaalsContact C-N 3.33Å; K392-E395 PolarHBondContact O-N 2.94Å; K392-R396 WeakPolarHBondContact O-CB 3.47Å; K392-R396 PolarHBondContact O-N 3.33Å
393E93.4Very high91.7Very high94 Ų94107.8 Ų107.844%0.43953%0.526SS..Hα-helixtrans-69.3-31.3174.8-77-62.2127.900112Q389 L390 R396 L397Q389-E393 PolarHBondContact O-N 3.24Å; L390-E393 PolarHBondContact O-N 3.49Å; E393-R396 PolarHBondContact O-N 3.37Å; E393-R396 WeakPolarHBondContact OE1-CD 3.31Å; E393-R396 IonicContact OE1-CZ 3.38Å; E393-R396 IonicContact OE1-NE 2.82Å; E393-R396 IonicContact OE1-NH1 2.76Å; E393-R396 PolarHBondContact OE1-NH1 3.32Å; E393-R396 WeakPolarHBondContact OE2-CD 3.46Å; E393-R396 IonicContact OE2-NH1 2.76Å; E393-R396 PolarHBondContact OE2-NH1 3.02Å; E393-L397 VanDerWaalsContact O-CB 3.29Å; E393-L397 WeakPolarHBondContact O-CB 3.42Å; E393-L397 PolarHBondContact O-N 3.12Å
394R93.8Very high90.9Very high185 Ų185110.2 Ų110.270%0.69854%0.536SS*.Hα-helixtrans-63.9-43.5169.2-177.6-179.2177.1-173.10.2112L390 S391 K392 L397 Q398L390-R394 VanDerWaalsContact O-CB 3.28Å; L390-R394 WeakPolarHBondContact O-CB 3.28Å; L390-R394 PolarHBondContact O-N 3.13Å; S391-R394 PolarHBondContact O-N 3.32Å; K392-R394 VanDerWaalsContact C-N 3.33Å; R394-L397 PolarHBondContact O-N 2.94Å; R394-Q398 VanDerWaalsContact O-CB 3.28Å; R394-Q398 WeakPolarHBondContact O-CB 3.29Å; R394-Q398 PolarHBondContact O-N 3.37Å
395E93.6Very high89.8Confident140 Ų140109.2 Ų109.265%0.65453%0.531SS*.Hα-helixtrans-63.1-43.3174.6-176.4178.8-16700111.4S391 K392 Q398 A399S391-E395 PolarHBondContact O-N 3.49Å; K392-E395 PolarHBondContact O-N 2.94Å; E395-Q398 WeakPolarHBondContact O-CB 3.31Å; E395-Q398 PolarHBondContact O-N 2.92Å; E395-A399 WeakPolarHBondContact O-CB 3.49Å; E395-A399 PolarHBondContact O-N 3.49Å
396R92.2Very high87.9Confident142 Ų142109.8 Ų109.854%0.53654%0.535SS..Hα-helixtrans-62.2-43175.9-172.9-174.2-178-171.8-2.6112.4K392 E393 A399 M400K392-R396 WeakPolarHBondContact O-CB 3.47Å; K392-R396 PolarHBondContact O-N 3.33Å; E393-R396 PolarHBondContact O-N 3.37Å; E393-R396 WeakPolarHBondContact OE1-CD 3.31Å; E393-R396 IonicContact OE1-CZ 3.38Å; E393-R396 IonicContact OE1-NE 2.82Å; E393-R396 IonicContact OE1-NH1 2.76Å; E393-R396 PolarHBondContact OE1-NH1 3.32Å; E393-R396 WeakPolarHBondContact OE2-CD 3.46Å; E393-R396 IonicContact OE2-NH1 2.76Å; E393-R396 PolarHBondContact OE2-NH1 3.02Å; R396-A399 PolarHBondContact O-N 3Å; R396-M400 WeakPolarHBondContact O-CB 3.28Å; R396-M400 PolarHBondContact O-N 3.45Å
397L93.9Very high85.7Confident96 Ų96114.5 Ų114.550%0.50355%0.546SS..Hα-helixtrans-65.9-42.3174.2-179.261.1000111E393 R394 A399 M400 M401E393-L397 VanDerWaalsContact O-CB 3.29Å; E393-L397 WeakPolarHBondContact O-CB 3.42Å; E393-L397 PolarHBondContact O-N 3.12Å; R394-L397 PolarHBondContact O-N 2.94Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 3.07Å; L397-M400 PolarHBondContact O-N 3.41Å; L397-M401 HydrophobicContact CD1-CG 4.37Å; L397-M401 HydrophobicContact CG-SD 4.32Å; L397-M401 WeakPolarHBondContact O-CB 3.46Å; L397-M401 VanDerWaalsContact O-CG 3.31Å; L397-M401 WeakPolarHBondContact O-CG 3.41Å; L397-M401 PolarHBondContact O-N 3.3Å
398Q92.7Very high83.8Confident113 Ų113114.8 Ų114.853%0.52856%0.559SS.*Hα-helixtrans-58.9-43.4174.1-1737038.500111.1R394 E395 M401 T402R394-Q398 VanDerWaalsContact O-CB 3.28Å; R394-Q398 WeakPolarHBondContact O-CB 3.29Å; R394-Q398 PolarHBondContact O-N 3.37Å; E395-Q398 WeakPolarHBondContact O-CB 3.31Å; E395-Q398 PolarHBondContact O-N 2.92Å; Q398-M401 PolarHBondContact O-N 2.99Å; Q398-T402 WeakPolarHBondContact O-CG2 3.43Å; Q398-T402 PolarHBondContact O-N 3.05Å; Q398-T402 PolarHBondContact O-OG1 3.42Å
399A89.1Confident81.3Confident53 Ų53117 Ų11744%0.43858%0.58SS.*Hα-helixtrans-66-41.7175.800000112.6E395 R396 L397 T402 H403E395-A399 WeakPolarHBondContact O-CB 3.49Å; E395-A399 PolarHBondContact O-N 3.49Å; R396-A399 PolarHBondContact O-N 3Å; L397-A399 VanDerWaalsContact C-N 3.32Å; L397-A399 PolarHBondContact O-N 3.07Å; A399-T402 WeakPolarHBondContact CA-OG1 3.4Å; A399-T402 PolarHBondContact O-N 3.43Å; A399-T402 PolarHBondContact O-OG1 3.34Å; A399-H403 WeakPolarHBondContact O-CB 3.11Å; A399-H403 PolarHBondContact O-N 3.21Å
400M90.6Very high78.9Confident104 Ų104120.1 Ų120.151%0.51259%0.594SS.*Hα-helixtrans-62.1-44.5174.4-171.3-173.5-6000111.2R396 L397 H403 L404R396-M400 WeakPolarHBondContact O-CB 3.28Å; R396-M400 PolarHBondContact O-N 3.45Å; L397-M400 PolarHBondContact O-N 3.41Å; M400-H403 PolarHBondContact O-N 3.05Å; M400-L404 HydrophobicContact CG-CD1 4.35Å; M400-L404 WeakPolarHBondContact O-CG 3.33Å; M400-L404 PolarHBondContact O-N 3.4Å
401M86Confident76.5Confident89 Ų89120.5 Ų120.544%0.43860%0.604SS.*Hα-helixtrans-63.5-42.3174.5-71.2-179.177.200111.7L397 Q398 H403 L404 H405L397-M401 HydrophobicContact CD1-CG 4.37Å; L397-M401 HydrophobicContact CG-SD 4.32Å; L397-M401 WeakPolarHBondContact O-CB 3.46Å; L397-M401 VanDerWaalsContact O-CG 3.31Å; L397-M401 WeakPolarHBondContact O-CG 3.41Å; L397-M401 PolarHBondContact O-N 3.3Å; Q398-M401 PolarHBondContact O-N 2.99Å; M401-H403 VanDerWaalsContact C-N 3.32Å; M401-H403 PolarHBondContact O-N 2.91Å; M401-L404 PolarHBondContact O-N 3.26Å; M401-H405 PolarHBondContact O-N 3.38Å; M401-H405 VanDerWaalsContact O-N 3.08Å; M401-H405 PolarHBondContact O-ND1 3.04Å
402T77.4Confident73.5Confident71 Ų71126.9 Ų126.944%0.43662%0.624SS.*Hα-helixtrans-67-34177.355.10000112.3Q398 A399 H405 M406Q398-T402 WeakPolarHBondContact O-CG2 3.43Å; Q398-T402 PolarHBondContact O-N 3.05Å; Q398-T402 PolarHBondContact O-OG1 3.42Å; A399-T402 WeakPolarHBondContact CA-OG1 3.4Å; A399-T402 PolarHBondContact O-N 3.43Å; A399-T402 PolarHBondContact O-OG1 3.34Å; T402-H405 PolarHBondContact O-N 2.88Å; T402-M406 WeakPolarHBondContact O-CG 3.42Å; T402-M406 PolarHBondContact O-N 3.29Å
403H76.4Confident70.8Confident149 Ų149125.9 Ų125.969%0.6963%0.633SS**Hα-helixtrans-63.5-47.9173.2-173.668.7000112A399 M400 M401 H405 M406A399-H403 WeakPolarHBondContact O-CB 3.11Å; A399-H403 PolarHBondContact O-N 3.21Å; M400-H403 PolarHBondContact O-N 3.05Å; M401-H403 VanDerWaalsContact C-N 3.32Å; M401-H403 PolarHBondContact O-N 2.91Å; H403-H405 PolarHBondContact O-N 3.05Å; H403-M406 PolarHBondContact O-N 3.2Å; H403-M406 VanDerWaalsContact O-N 3.12Å
404L79.9Confident68.2Low132 Ų132126.2 Ų126.269%0.69165%0.645SS**Hα-helixtrans-62.5-27.1176.2-69.6168.4000113.4M400 M401M400-L404 HydrophobicContact CG-CD1 4.35Å; M400-L404 WeakPolarHBondContact O-CG 3.33Å; M400-L404 PolarHBondContact O-N 3.4Å; M401-L404 PolarHBondContact O-N 3.26Å
405H70.3Confident65.6Low95 Ų95123.3 Ų123.344%0.4465%0.651SS.*THydrogen-bonded Turntrans-91.613.7176.7-67.1101000114.4M401 T402 H403 R474M401-H405 PolarHBondContact O-N 3.38Å; M401-H405 VanDerWaalsContact O-N 3.08Å; M401-H405 PolarHBondContact O-ND1 3.04Å; T402-H405 PolarHBondContact O-N 2.88Å; H403-H405 PolarHBondContact O-N 3.05Å; H405-R474 PolarHBondContact O-NH2 3.47Å; H405-R474 VanDerWaalsContact O-NH2 3.15Å
406M50.8Low62.6Low126 Ų126125.6 Ų125.662%0.62166%0.659SS**SBendtrans-98.9116.7164-67.4-58.9173.500109.6T402 H403T402-M406 WeakPolarHBondContact O-CG 3.42Å; T402-M406 PolarHBondContact O-N 3.29Å; H403-M406 PolarHBondContact O-N 3.2Å; H403-M406 VanDerWaalsContact O-N 3.12Å
407R50.8Low60Low198 Ų198124.7 Ų124.775%0.74767%0.671SS**  trans-63.1133.7171.9-71.7-173.6-176.4158.56.8109S409 M473R407-S409 PolarHBondContact O-N 3.04Å; R407-S409 VanDerWaalsContact O-N 3.11Å; R407-M473 PolarHBondContact NH2-O 3.16Å; R407-M473 VanDerWaalsContact NH2-O 3.16Å
408P54.7Low57Low131 Ų131128.3 Ų128.385%0.85169%0.69SS**  trans-62.4112.8168.2-20.232.6000109.9
409S43.6Very low54.1Low112 Ų112130.3 Ų130.378%0.78370%0.704SS**  trans-79.1145.5159.853.90000109.3R407R407-S409 PolarHBondContact O-N 3.04Å; R407-S409 VanDerWaalsContact O-N 3.11Å
410E42.3Very low51.4Low178 Ų178135.6 Ų135.683%0.83272%0.724SS**  trans-55.7151-169.9-66.4167.899.600114.8K412E410-K412 PolarHBondContact O-N 3.45Å
411P46.5Very low48.5Very low133 Ų133136.6 Ų136.686%0.86474%0.736SS**  trans-70.698-177.429.3-35.5000111.9S413P411-S413 PolarHBondContact O-N 3.05Å
412K31.4Very low46Very low198 Ų198137.3 Ų137.386%0.86175%0.75SS**PPolyproline II helixtrans-66.4132.5166.7-154.775.1177.2-177.50109.4E410E410-K412 PolarHBondContact O-N 3.45Å
413S37.7Very low43.7Very low105 Ų105139 Ų13973%0.73476%0.764SS**PPolyproline II helixtrans-51.8138.7-173.852.50000114.6P411P411-S413 PolarHBondContact O-N 3.05Å
414S37.5Very low41.5Very low100 Ų100137.7 Ų137.770%0.69977%0.767SS**PPolyproline II helixtrans-71.9138.9175.849.60000113.1
415P39.2Very low39.2Very low125 Ų125136.9 Ų136.981%0.81277%0.768SS**PPolyproline II helixtrans-73.4129.5160.730.8-31.3000109.3
416K30.8Very low37.3Very low188 Ų188139.8 Ų139.882%0.81778%0.783SS**PPolyproline II helixtrans-76.7141.1171.3-70.1177.1179.6174.10109.6L418K416-L418 PolarHBondContact O-N 2.96Å
417P38.4Very low36.3Very low122 Ų122138.5 Ų138.579%0.79279%0.787SS**PPolyproline II helixtrans-70123174.928.9-33.3000110.2N419P417-N419 PolarHBondContact O-N 3.44Å
418L31Very low35.4Very low172 Ų172137.8 Ų137.890%0.90179%0.789SS**  trans-80.3114.6169.8-69.5173.7000109.4K416K416-L418 PolarHBondContact O-N 2.96Å
419N30.7Very low34.3Very low156 Ų156138.3 Ų138.383%0.83478%0.784SS**  trans-108.9124.3154.8-106.7-88.2000106.9P417P417-N419 PolarHBondContact O-N 3.44Å
420L32.8Very low33.6Very low163 Ų163140.6 Ų140.685%0.85379%0.787SS**  trans-135.1105.5170.2-175.462.6000109
421V31.1Very low33.6Very low126 Ų126137.8 Ų137.876%0.76478%0.784SS**  trans-80136.2162164.30000107.9
422S31.8Very low32.5Very low103 Ų103136 Ų13672%0.7278%0.775SS**  trans-67.7137.3175.8-51.50000111.9
423S29.7Very low32.4Very low107 Ų107133.1 Ų133.175%0.74877%0.774SS**  176.4111.3122.3-79.30000114.5
424V29.7Very low32.1Very low122 Ų122133.4 Ų133.474%0.73978%0.776SS**  61137119.8176.60000121
425T32Very low32.9Very low115 Ų115134 Ų13471%0.70678%0.778SS**  trans70146.3168.252.70000118.1
426M30.7Very low33.3Very low155 Ų155133.3 Ų133.376%0.76477%0.773SS**  cis-133.11508.3-88.6-55.117200114.1
427S29.5Very low33.1Very low100 Ų100131.3 Ų131.370%0.69977%0.772SS**  trans60.8114.7137.8-63.90000124.7
428K32Very low32.8Very low183 Ų183132.8 Ų132.880%0.79677%0.772SS**  81.595112-170.9173.3178.2179.90120.5
429N31.8Very low33.3Very low141 Ų141129.6 Ų129.675%0.75476%0.761SS**  -174.1146.8108.1-97.8-16.4000113.9
430L29.5Very low33.1Very low161 Ų161130.9 Ų130.984%0.84376%0.762SS**  trans-113.8177.2159.9-103.874.6000107.4
431P40.9Very low32.9Very low118 Ų118129.4 Ų129.477%0.76676%0.76SS**  cis-115.3-153.6-2.231.4-8.2000110.1
432S23.6Very low33.6Very low96 Ų96128.3 Ų128.367%0.67176%0.756SS**  cis-168.1-177.120.5-157.30000113.3
433T29.6Very low33.5Very low137 Ų137129.9 Ų129.984%0.8476%0.761SS**  trans65.4171.6167.467.50000118.8
434S30.9Very low33.6Very low112 Ų112131 Ų13178%0.78376%0.764SS**  trans-148.9-170.5-144.470.60000112.6
435P55.4Low34.3Very low112 Ų112130.4 Ų130.473%0.72776%0.762SS**  trans-88.1-160-156.844.3-44.7000112.9
436P47.1Very low34.3Very low110 Ų110130.6 Ų130.671%0.71476%0.763SS**  cis-146-161.56.643-20.3000117.7
437N27Very low34.5Very low147 Ų147127.5 Ų127.579%0.78676%0.762SS**  trans105148.8142.8-116.9-25.7000121.9
438L31.4Very low35.3Very low153 Ų153128.6 Ų128.680%0.80177%0.767SS**  trans-95.9-167.8165.5-70.893.3000108.2
439P42Very low35.4Very low104 Ų104127.2 Ų127.268%0.67577%0.767SS**  cis-141.8-165.62.627.70.1000116.4
440Q27.6Very low35.6Very low183 Ų183126.4 Ų126.486%0.85577%0.767SS**  trans107.3148.7149.5-55.5-170.884.400120.5
441T28.8Very low36.5Very low132 Ų132124.7 Ų124.781%0.8177%0.766SS**  trans-110.3-164.6175.4580000108.4
442P44Very low36.1Very low103 Ų103127.6 Ų127.667%0.66977%0.772SS**  cis-129.9-167.5-13.441.6-24.2000112.8
443T30.7Very low36.5Very low136 Ų136127.8 Ų127.883%0.83478%0.779SS**  trans160.7159.6137.839.50000114.6
444T31.1Very low36.3Very low132 Ų132126.2 Ų126.281%0.8178%0.78SS**  trans-156.5-174.3-179.9530000108.2
445P45.3Very low36.3Very low109 Ų109129.5 Ų129.571%0.70879%0.785SS**  cis-137.8-154.21.631.5-4.6000114.5
446T31.6Very low35.9Very low118 Ų118129 Ų12972%0.72478%0.782SS**  trans98.697.9146-51.80000121.8
447A35.7Very low34.9Very low90 Ų90132.1 Ų132.174%0.74479%0.787SS**  62175.8126.600000120.1
448P46.3Very low35.3Very low124 Ų124131.5 Ų131.581%0.80579%0.788SS**  cis-128.2-155.81644.1-25.3000116.3
449I34.3Very low35.8Very low153 Ų153129.3 Ų129.379%0.78578%0.783SS**  trans-146.9158.6-15944.7167.1000114.8
450T35.9Very low35.1Very low124 Ų124129.6 Ų129.676%0.76179%0.787SS**  trans66.4166.8161.530.20000117.8
451P47.3Very low35.2Very low126 Ų126126.6 Ų126.682%0.81878%0.781SS**  cis-127-162.615.543.6-26.5000116.6
452M32.8Very low35.3Very low179 Ų179128.8 Ų128.888%0.88279%0.787SS**  trans-110.9167.5-171.9-70.7-17963.800115.4
453A31.2Very low34.5Very low99 Ų99127.5 Ų127.582%0.81879%0.793SS**  trans87117.5140.400000121.5
454A27.1Very low34.3Very low105 Ų105124.8 Ų124.887%0.86879%0.792SS**  trans-161.9155.7139.100000111.9
455M29.7Very low34.4Very low180 Ų180123.5 Ų123.589%0.88780%0.795SS**  trans-140.7168.2169.1-105.7-105173.300105.6
456P47.2Very low33.6Very low102 Ų102125.9 Ų125.966%0.66280%0.801SS**  cis-148.8-16034.634.8-8.6000116.5
457Q26.1Very low34Very low175 Ų175126.3 Ų126.382%0.81880%0.803SS**  trans115.3155.7151.4-56.2-165.510.300119.8
458V34.5Very low34.2Very low135 Ų135127.7 Ų127.782%0.81881%0.805SS**  trans-150.5173.7-173.2-69.10000107.3
459P42.3Very low33.3Very low107 Ų107127.6 Ų127.670%0.69581%0.807SS**  cis-146.4-170.618.944.8-24000118.2
460S27.9Very low33.1Very low109 Ų109129.4 Ų129.476%0.76281%0.814SS**  trans71.2161162.6-54.90000116.7
461V30.3Very low32.9Very low121 Ų121127.1 Ų127.173%0.73382%0.816SS**  cis-148134.9231740000110.9
462L30.3Very low32.2Very low177 Ų177124.6 Ų124.693%0.92781%0.806SS**  trans51.4156.1163.6-61168.2000118.8
463G26.6Very low32.1Very low77 Ų77121 Ų12179%0.79479%0.788SS**  cis149.7114.4-7.700000111.9
464G27.5Very low32.4Very low78 Ų78122.2 Ų122.280%0.80477%0.771SS**  trans126.5108164.700000118.5
465A32.6Very low33.2Very low106 Ų106127.7 Ų127.788%0.87677%0.769SS**  trans55.3144.8140.200000124.5
466N29.3Very low33.5Very low158 Ų158130.4 Ų130.485%0.84577%0.77SS**  trans93.7145.7148.8-141.36.8000119.6
467V39.3Very low32.4Very low127 Ų127134 Ų13477%0.7778%0.778SS**  trans-92.4157.7-171.1-71.50000113.3
468P39.8Very low32.9Very low120 Ų120129.4 Ų129.478%0.77977%0.765SS**  trans-137.4134.7139.835.8-22.9000115.7
469S27.8Very low32.7Very low121 Ų121128.5 Ų128.585%0.84676%0.755SS**  trans47.4120.2135-151.40000121.5
470M29.3Very low32.4Very low191 Ų191132 Ų13294%0.94176%0.76SS**PPolyproline II helixtrans-80.2131168.4-79.7-74.9176.600112.8
471G31.2Very low32.7Very low77 Ų77137.7 Ų137.779%0.79477%0.766SS**PPolyproline II helixtrans-103.3155.6166.700000112.5
472A33.3Very low32.5Very low73 Ų73136.5 Ų136.560%0.60376%0.763SS**PPolyproline II helixtrans-102.4154.9-161.700000117.2
473M31.4Very low32.4Very low102 Ų102136 Ų13650%0.50276%0.758SS.*  trans71.5136.1151.4-91.427.2-17600119.1R407R407-M473 PolarHBondContact NH2-O 3.16Å; R407-M473 VanDerWaalsContact NH2-O 3.16Å
474R36.4Very low32.8Very low126 Ų126137.9 Ų137.948%0.47576%0.756SS.*  cis-166.5136-3.9-145.4-162-60.7-125.45.1113H405H405-R474 PolarHBondContact O-NH2 3.47Å; H405-R474 VanDerWaalsContact O-NH2 3.15Å
475R44.2Very low33.3Very low219 Ų219142.4 Ų142.483%0.82676%0.761SS**  trans64158.6166.6-42.5-170.1175.5169.2-1.2115.4
476R35.3Very low33.2Very low237 Ų237143.3 Ų143.389%0.89476%0.761SS**  cis-142.3139.811.2-47.4163.4-177.4-124.73.1110.6
477H25.8Very low33.4Very low178 Ų178141.8 Ų141.882%0.82476%0.762SS**  -168.4171.4125.7-147.9-96.9000111.2
478S36Very low33Very low78 Ų78139.1 Ų139.155%0.54576%0.761SS.*  trans-92.2167.4166.3-169.50000111.9
479D29.6Very low32.7Very low117 Ų117136.3 Ų136.363%0.62675%0.754SS**  trans74.7145.5169.4-27.6-42.5000113.6
480K37.3Very low33.2Very low180 Ų180138.8 Ų138.878%0.78376%0.758SS**  cis-147.8168.733-43.7-172.9-170.1-51.60112.2
481Y32.7Very low34Very low228 Ų228133.1 Ų133.189%0.89473%0.734SS**  trans-60.9152.3-171.9-58-97.9000118.2
482S27.1Very low34.7Very low97 Ų97135.7 Ų135.768%0.67873%0.734SS**  156.8168.8109.657.80000115.4
483M28.6Very low35.5Very low166 Ų166133.7 Ų133.782%0.81871%0.712SS**  trans78.2144.6169.7-46.5-53.6174.700118.9
484P34.2Very low36.7Very low116 Ų116132.9 Ų132.975%0.75371%0.708SS**  cis-127162-48.538-25.8000112.5
485L38.1Very low37.7Very low174 Ų174129.1 Ų129.191%0.91170%0.696SS**  trans-93120.1-179.5-90.369.9000113.2
486S31.5Very low38.4Very low125 Ų125123.8 Ų123.887%0.87469%0.69SS**  trans175.2145.9155.2-80.40000108.3
487S32.5Very low39.3Very low125 Ų125119.4 Ų119.487%0.87468%0.679SS**  cis-164.5146-16.7-178.50000105.7
488G31.1Very low41Very low72 Ų72111 Ų11174%0.74264%0.641SS**  cis-169.6-177.5-1.100000109.9
489G33.5Very low42.1Very low61 Ų61109.9 Ų109.963%0.62964%0.636SS**  trans146.8124.7178.900000112.6T491G489-T491 VanDerWaalsContact C-N 3.3Å; G489-T491 PolarHBondContact O-N 3.43Å
490D37.4Very low43.5Very low173 Ų173109.1 Ų109.193%0.92564%0.637SS**SBendtrans-82.854.5-159.6-55.3-61000115.4
491T46.2Very low44.9Very low72 Ų72104.3 Ų104.344%0.44262%0.62SS.*  trans-120.7100.9172.252.30000110.6G489 F493G489-T491 VanDerWaalsContact C-N 3.3Å; G489-T491 PolarHBondContact O-N 3.43Å; T491-F493 VanDerWaalsContact C-N 3.27Å; T491-F493 PolarHBondContact O-N 3.4Å; T491-F493 WeakPolarHBondContact OG1-CE2 3.49Å
492V46.8Very low46.6Very low131 Ų13195.3 Ų95.379%0.79458%0.584SS**  trans-76.976.1179.5-1740000110.2I494V492-I494 PolarHBondContact O-N 3.03Å; V492-I494 VanDerWaalsContact O-N 3.13Å
493F50.2Low48.8Very low31 Ų3195.3 Ų95.314%0.13657%0.574CS.*  trans-62.2114.9178.8-71.4-62000111.7T491 F495 Y502 Q522 W540T491-F493 VanDerWaalsContact C-N 3.27Å; T491-F493 PolarHBondContact O-N 3.4Å; T491-F493 WeakPolarHBondContact OG1-CE2 3.49Å; F493-F495 PolarHBondContact O-N 2.95Å; F493-Y502 HydrophobicContact CE1-CE2 4.46Å; F493-Y502 HydrophobicContact CE2-CD1 4.3Å; F493-Y502 AromaticContact CE2-CD2 3.89Å; F493-Y502 HydrophobicContact CE2-CD2 3.89Å; F493-Y502 HydrophobicContact CE2-CE1 4.23Å; F493-Y502 AromaticContact CE2-CE2 3.85Å; F493-Y502 HydrophobicContact CE2-CE2 3.85Å; F493-Y502 HydrophobicContact CE2-CG 4.12Å; F493-Y502 AromaticContact CZ-CD2 3.92Å; F493-Y502 HydrophobicContact CZ-CD2 3.92Å; F493-Y502 HydrophobicContact CZ-CE1 4.42Å; F493-Y502 AromaticContact CZ-CE2 3.48Å; F493-Y502 HydrophobicContact CZ-CE2 3.48Å; F493-Y502 VanDerWaalsContact CZ-CE2 3.48Å; F493-Y502 AromaticContact CZ-CZ 3.76Å; F493-Q522 HydrophobicContact CD1-CG 4.22Å; F493-W540 HydrophobicContact CE1-CZ2 4.45Å
494I56.8Low51.3Low84 Ų8492.4 Ų92.443%0.43156%0.557SS.*SBendtrans-60.8-13.8179.2-57.1-65.5000112.8V492 M525V492-I494 PolarHBondContact O-N 3.03Å; V492-I494 VanDerWaalsContact O-N 3.13Å; I494-M525 HydrophobicContact CG1-CB 4.42Å; I494-M525 HydrophobicContact CG1-CE 4.47Å; I494-M525 HydrophobicContact CG2-CE 4.19Å
495F57.5Low53.5Low47 Ų4788.6 Ų88.621%0.20653%0.528CS..  trans-113.5106.7174.5-73.3-66.1000113.5F493 E497 I498 T518 R521 Q522F493-F495 PolarHBondContact O-N 2.95Å; F495-E497 PolarHBondContact O-N 3.49Å; F495-E497 VanDerWaalsContact O-N 3.11Å; F495-I498 HydrophobicContact CB-CD1 4.05Å; F495-I498 HydrophobicContact CB-CG1 4.14Å; F495-I498 PolarHBondContact O-N 3.38Å; F495-I498 VanDerWaalsContact O-N 3.15Å; F495-T518 HydrophobicContact CD2-CG2 4.49Å; F495-T518 HydrophobicContact CE2-CG2 4.03Å; F495-T518 HydrophobicContact CZ-CG2 4.32Å; F495-R521 VanDerWaalsContact CE2-NH1 3.27Å; F495-Q522 VanDerWaalsContact CD2-OE1 3.28Å
496P57.6Low55.6Low108 Ų10883.3 Ų83.370%0.70150%0.497SS*.THydrogen-bonded Turntrans-58.8-20.3174.6-27.736.2000115.8I498 P500P496-I498 VanDerWaalsContact C-N 3.29Å; P496-I498 PolarHBondContact O-N 3.34Å; P496-P500 WeakPolarHBondContact O-CD 3.4Å
497E54.5Low57.9Low144 Ų14482.6 Ų82.667%0.67348%0.484SS*.THydrogen-bonded Turntrans-68.9-23.9176.7-69.3-165.9136.400113.7F495 F514F495-E497 PolarHBondContact O-N 3.49Å; F495-E497 VanDerWaalsContact O-N 3.11Å; E497-F514 HydrophobicContact CB-CE1 4.45Å
498I61.5Low60.2Low3 Ų377.9 Ų77.92%0.01545%0.453CS..THydrogen-bonded Turntrans-83.4-43.2-177.8-57.2178.5000110.6F495 P496 N501 Y502 F514F495-I498 HydrophobicContact CB-CD1 4.05Å; F495-I498 HydrophobicContact CB-CG1 4.14Å; F495-I498 PolarHBondContact O-N 3.38Å; F495-I498 VanDerWaalsContact O-N 3.15Å; P496-I498 VanDerWaalsContact C-N 3.29Å; P496-I498 PolarHBondContact O-N 3.34Å; I498-N501 PolarHBondContact O-N 3.41Å; I498-N501 VanDerWaalsContact O-N 3.16Å; I498-Y502 HydrophobicContact CG2-CD2 4.38Å; I498-Y502 PolarHBondContact O-N 3.14Å; I498-Y502 VanDerWaalsContact O-N 3.1Å; I498-F514 HydrophobicContact CG1-CD2 4.49Å; I498-F514 HydrophobicContact CG1-CE1 4.24Å; I498-F514 HydrophobicContact CG1-CE2 3.88Å; I498-F514 HydrophobicContact CG1-CZ 3.73Å
499A59.2Low62.7Low54 Ų5478 Ų7845%0.44644%0.436SS..G310 helixtrans-48-51.8-172.400000115.6N501 Y502A499-N501 PolarHBondContact O-N 2.97Å; A499-N501 VanDerWaalsContact O-N 3.12Å; A499-Y502 WeakPolarHBondContact O-CB 3.37Å; A499-Y502 PolarHBondContact O-N 3.49Å
500P60.1Low65.2Low100 Ų10078.3 Ų78.365%0.64943%0.426SS*.G310 helixtrans-70.4-11.1-174.128.5-36.2000114.6P496P496-P500 WeakPolarHBondContact O-CD 3.4Å
501N64.9Low67.6Low79 Ų7976.2 Ų76.242%0.42241%0.405SS..G310 helixtrans-121.611.5177.1-68-90.6000112.4I498 A499 F504 Y505I498-N501 PolarHBondContact O-N 3.41Å; I498-N501 VanDerWaalsContact O-N 3.16Å; A499-N501 PolarHBondContact O-N 2.97Å; A499-N501 VanDerWaalsContact O-N 3.12Å; N501-F504 WeakPolarHBondContact O-CB 3.34Å; N501-F504 PolarHBondContact O-N 3.01Å; N501-Y505 HydrophobicContact CB-CD2 4.11Å; N501-Y505 HydrophobicContact CB-CE2 3.61Å; N501-Y505 WeakPolarHBondContact O-CD2 3.5Å; N501-Y505 PolarHBondContact O-N 2.92Å
502Y70.3Confident69.5Low39 Ų3973 Ų7315%0.15339%0.385CS..Hα-helixtrans-58.6-54.5-174.2177.4-111.4000112.4F493 I498 A499 F504 Y505 K506 T544F493-Y502 HydrophobicContact CE1-CE2 4.46Å; F493-Y502 HydrophobicContact CE2-CD1 4.3Å; F493-Y502 AromaticContact CE2-CD2 3.89Å; F493-Y502 HydrophobicContact CE2-CD2 3.89Å; F493-Y502 HydrophobicContact CE2-CE1 4.23Å; F493-Y502 AromaticContact CE2-CE2 3.85Å; F493-Y502 HydrophobicContact CE2-CE2 3.85Å; F493-Y502 HydrophobicContact CE2-CG 4.12Å; F493-Y502 AromaticContact CZ-CD2 3.92Å; F493-Y502 HydrophobicContact CZ-CD2 3.92Å; F493-Y502 HydrophobicContact CZ-CE1 4.42Å; F493-Y502 AromaticContact CZ-CE2 3.48Å; F493-Y502 HydrophobicContact CZ-CE2 3.48Å; F493-Y502 VanDerWaalsContact CZ-CE2 3.48Å; F493-Y502 AromaticContact CZ-CZ 3.76Å; I498-Y502 HydrophobicContact CG2-CD2 4.38Å; I498-Y502 PolarHBondContact O-N 3.14Å; I498-Y502 VanDerWaalsContact O-N 3.1Å; A499-Y502 WeakPolarHBondContact O-CB 3.37Å; A499-Y502 PolarHBondContact O-N 3.49Å; Y502-F504 PolarHBondContact O-N 3.29Å; Y502-F504 VanDerWaalsContact O-N 3.15Å; Y502-Y505 PolarHBondContact O-N 3.35Å; Y502-Y505 VanDerWaalsContact O-N 3.14Å; Y502-K506 HydrophobicContact CE1-CD 4.01Å; Y502-K506 VanDerWaalsContact O-CB 3.29Å; Y502-K506 WeakPolarHBondContact O-CB 3.43Å; Y502-K506 PolarHBondContact O-N 2.87Å; Y502-T544 HydrophobicContact CE2-CG2 3.79Å
503E72.4Confident71.4Confident97 Ų9771.2 Ų71.245%0.45338%0.376SS..Hα-helixtrans-61.1-25178.6-67-59.7120.700113.3K506 N507E503-K506 WeakPolarHBondContact OE1-CD 3.42Å; E503-K506 WeakPolarHBondContact OE1-CE 3.44Å; E503-K506 IonicContact OE1-NZ 2.66Å; E503-K506 PolarHBondContact OE1-NZ 3.21Å; E503-K506 WeakPolarHBondContact OE2-CD 3.36Å; E503-K506 IonicContact OE2-NZ 2.74Å; E503-K506 PolarHBondContact OE2-NZ 3.03Å; E503-N507 WeakPolarHBondContact O-CB 3.17Å; E503-N507 PolarHBondContact O-N 2.89Å; E503-N507 PolarHBondContact O-ND2 2.92Å
504F80.1Confident73.2Confident106 Ų10671.5 Ų71.547%0.46538%0.378SS..Hα-helixtrans-68.7-51.5173.6178.9-96.7000111.1N501 Y502 K506 N507 A508 V510N501-F504 WeakPolarHBondContact O-CB 3.34Å; N501-F504 PolarHBondContact O-N 3.01Å; Y502-F504 PolarHBondContact O-N 3.29Å; Y502-F504 VanDerWaalsContact O-N 3.15Å; F504-K506 PolarHBondContact O-N 3.46Å; F504-N507 PolarHBondContact O-N 3.26Å; F504-A508 HydrophobicContact CD2-CB 4.48Å; F504-A508 HydrophobicContact CE1-CB 4.43Å; F504-A508 HydrophobicContact CE2-CB 4.22Å; F504-A508 HydrophobicContact CZ-CB 4.2Å; F504-A508 WeakPolarHBondContact O-CB 3.47Å; F504-A508 PolarHBondContact O-N 2.92Å; F504-V510 HydrophobicContact CE1-CB 4.13Å; F504-V510 HydrophobicContact CE1-CG1 4.32Å; F504-V510 HydrophobicContact CE1-CG2 4.12Å; F504-V510 HydrophobicContact CZ-CG2 4.09Å
505Y81.8Confident75Confident35 Ų3571.6 Ų71.614%0.13738%0.382CS..Hα-helixtrans-75.1-22.6-179.4-58.6-64.2000114N501 Y502 N507 V510 P512 P513 F545 A546N501-Y505 HydrophobicContact CB-CD2 4.11Å; N501-Y505 HydrophobicContact CB-CE2 3.61Å; N501-Y505 WeakPolarHBondContact O-CD2 3.5Å; N501-Y505 PolarHBondContact O-N 2.92Å; Y502-Y505 PolarHBondContact O-N 3.35Å; Y502-Y505 VanDerWaalsContact O-N 3.14Å; Y505-N507 VanDerWaalsContact C-N 3.32Å; Y505-V510 HydrophobicContact CD1-CB 4.46Å; Y505-V510 HydrophobicContact CD1-CG1 4.5Å; Y505-V510 HydrophobicContact CE1-CG1 4.18Å; Y505-P512 HydrophobicContact CD1-CB 4.5Å; Y505-P512 HydrophobicContact CD1-CG 4.45Å; Y505-P512 HydrophobicContact CG-CG 4.42Å; Y505-P513 VanDerWaalsContact CZ-CD 3.47Å; Y505-P513 WeakPolarHBondContact OH-CD 3.37Å; Y505-F545 WeakPolarHBondContact O-CA 3.34Å; Y505-A546 PolarHBondContact O-N 2.95Å
506K82.1Confident76.8Confident63 Ų6371 Ų7127%0.27438%0.379SS..Hα-helixtrans-66.1-31.5172.9-177.6-168.6177.9-171.20113.1Y502 E503 F504 T544 R549Y502-K506 HydrophobicContact CE1-CD 4.01Å; Y502-K506 VanDerWaalsContact O-CB 3.29Å; Y502-K506 WeakPolarHBondContact O-CB 3.43Å; Y502-K506 PolarHBondContact O-N 2.87Å; E503-K506 WeakPolarHBondContact OE1-CD 3.42Å; E503-K506 WeakPolarHBondContact OE1-CE 3.44Å; E503-K506 IonicContact OE1-NZ 2.66Å; E503-K506 PolarHBondContact OE1-NZ 3.21Å; E503-K506 WeakPolarHBondContact OE2-CD 3.36Å; E503-K506 IonicContact OE2-NZ 2.74Å; E503-K506 PolarHBondContact OE2-NZ 3.03Å; F504-K506 PolarHBondContact O-N 3.46Å; K506-T544 WeakPolarHBondContact CA-O 3.43Å; K506-R549 PolarHBondContact O-NH1 2.9Å; K506-R549 PolarHBondContact O-NH2 3.41Å
507N80Confident78.5Confident110 Ų11066.2 Ų66.259%0.58835%0.348SS*.Hα-helixtrans-115.1-28.8-171.9-64-13.7000114E503 F504 Y505E503-N507 WeakPolarHBondContact O-CB 3.17Å; E503-N507 PolarHBondContact O-N 2.89Å; E503-N507 PolarHBondContact O-ND2 2.92Å; F504-N507 PolarHBondContact O-N 3.26Å; Y505-N507 VanDerWaalsContact C-N 3.32Å
508A80.6Confident80.4Confident27 Ų2759.9 Ų59.922%0.22332%0.319CS..SBendtrans-94.4140.3176.500000111.5F504 V510F504-A508 HydrophobicContact CD2-CB 4.48Å; F504-A508 HydrophobicContact CE1-CB 4.43Å; F504-A508 HydrophobicContact CE2-CB 4.22Å; F504-A508 HydrophobicContact CZ-CB 4.2Å; F504-A508 WeakPolarHBondContact O-CB 3.47Å; F504-A508 PolarHBondContact O-N 2.92Å; A508-V510 HydrophobicContact CB-CG2 4.12Å; A508-V510 PolarHBondContact O-N 3.02Å
509D82.9Confident81.9Confident74 Ų7459.9 Ų59.940%0.39632%0.319SS..  trans-73.435.7176.9-67.8-49.8000113.5Y547 R550D509-Y547 WeakPolarHBondContact O-CD2 3.3Å; D509-R550 IonicContact OD1-CZ 2.73Å; D509-R550 IonicContact OD1-NH1 3.86Å; D509-R550 PolarHBondContact OD1-NH1 2.96Å; D509-R550 IonicContact OD1-NH2 2.64Å; D509-R550 IonicContact OD2-CZ 3.69Å; D509-R550 IonicContact OD2-NH1 3.49Å; D509-R550 PolarHBondContact OD2-NH1 2.69Å; D509-R550 IonicContact OD2-NH2 3.42Å; D509-R550 PolarHBondContact OD2-NH2 3.26Å
510V86.4Confident83.6Confident67 Ų6757.3 Ų57.341%0.40630%0.298SS..PPolyproline II helixtrans-96.7125.6180179.60000109.1F504 Y505 A508 P512F504-V510 HydrophobicContact CE1-CB 4.13Å; F504-V510 HydrophobicContact CE1-CG1 4.32Å; F504-V510 HydrophobicContact CE1-CG2 4.12Å; F504-V510 HydrophobicContact CZ-CG2 4.09Å; Y505-V510 HydrophobicContact CD1-CB 4.46Å; Y505-V510 HydrophobicContact CD1-CG1 4.5Å; Y505-V510 HydrophobicContact CE1-CG1 4.18Å; A508-V510 HydrophobicContact CB-CG2 4.12Å; A508-V510 PolarHBondContact O-N 3.02Å; V510-P512 WeakPolarHBondContact O-CD 3.44Å
511R87.3Confident85.3Confident129 Ų12953.3 Ų53.349%0.48727%0.27SS..PPolyproline II helixtrans-58.6125175-176.3173.2174172.5-2.5110.5Y547R511-Y547 HydrophobicContact CB-CD1 3.91Å; R511-Y547 HydrophobicContact CB-CD2 4.06Å; R511-Y547 HydrophobicContact CB-CE1 3.75Å; R511-Y547 HydrophobicContact CB-CE2 3.91Å; R511-Y547 HydrophobicContact CB-CG 4.07Å; R511-Y547 HydrophobicContact CG-CD1 4Å; R511-Y547 HydrophobicContact CG-CE1 3.66Å
512P86.9Confident86.6Confident4 Ų449.6 Ų49.63%0.02625%0.25CS..PPolyproline II helixtrans-60.6145.4177.4-23.433000112.1Y505 V510 F514 F545 F548Y505-P512 HydrophobicContact CD1-CB 4.5Å; Y505-P512 HydrophobicContact CD1-CG 4.45Å; Y505-P512 HydrophobicContact CG-CG 4.42Å; V510-P512 WeakPolarHBondContact O-CD 3.44Å; P512-F514 HydrophobicContact CB-CD2 3.86Å; P512-F514 PolarHBondContact O-N 3.33Å; P512-F545 HydrophobicContact CB-CD1 4.44Å; P512-F545 HydrophobicContact CB-CE1 4.19Å; P512-F545 HydrophobicContact CB-CZ 4.42Å; P512-F545 HydrophobicContact CG-CB 4.24Å; P512-F545 HydrophobicContact CG-CD1 3.47Å; P512-F545 VanDerWaalsContact CG-CD1 3.47Å; P512-F545 HydrophobicContact CG-CD2 4.05Å; P512-F545 HydrophobicContact CG-CE1 3.67Å; P512-F545 HydrophobicContact CG-CE2 4.22Å; P512-F545 HydrophobicContact CG-CG 3.64Å; P512-F545 HydrophobicContact CG-CZ 4.04Å; P512-F548 HydrophobicContact CG-CE2 4.41Å
513P86.3Confident87.8Confident94 Ų9447.8 Ų47.861%0.6124%0.243SC*.SBendtrans-75.826-176.733.1-37.9000114Y505Y505-P513 VanDerWaalsContact CZ-CD 3.47Å; Y505-P513 WeakPolarHBondContact OH-CD 3.37Å
514F89Confident88.8Confident38 Ų3843.1 Ų43.117%0.16722%0.222CC..SBendtrans-114.9150.5-173.1-56.7-71.9000111.4E497 I498 P512 L519E497-F514 HydrophobicContact CB-CE1 4.45Å; I498-F514 HydrophobicContact CG1-CD2 4.49Å; I498-F514 HydrophobicContact CG1-CE1 4.24Å; I498-F514 HydrophobicContact CG1-CE2 3.88Å; I498-F514 HydrophobicContact CG1-CZ 3.73Å; P512-F514 HydrophobicContact CB-CD2 3.86Å; P512-F514 PolarHBondContact O-N 3.33Å; F514-L519 HydrophobicContact CB-CD1 4.38Å; F514-L519 HydrophobicContact CB-CD2 3.8Å; F514-L519 HydrophobicContact CB-CG 3.9Å; F514-L519 HydrophobicContact CD2-CD2 4.24Å; F514-L519 HydrophobicContact CG-CD2 4.28Å
515T93.6Very high89.4Confident85 Ų8540.6 Ų40.652%0.52121%0.212SC..  trans-74.6150.3175.160.60000110.9A517 T518 L519T515-A517 PolarHBondContact O-N 3.47Å; T515-T518 PolarHBondContact O-N 2.84Å; T515-T518 PolarHBondContact OG1-N 3.48Å; T515-T518 PolarHBondContact OG1-OG1 3.35Å; T515-L519 PolarHBondContact O-N 3.25Å
516Y95.1Very high89.7Confident35 Ų3541.6 Ų41.614%0.13722%0.219CC..Hα-helixtrans-51.6-43.7174.4-75.3-67.7000111.6T518 L519 I520 F541 F548 W555 A558 V559 N562Y516-T518 VanDerWaalsContact C-N 3.32Å; Y516-T518 PolarHBondContact O-N 3.37Å; Y516-L519 PolarHBondContact O-N 3.44Å; Y516-I520 WeakPolarHBondContact O-CB 3.48Å; Y516-I520 WeakPolarHBondContact O-CD1 3.43Å; Y516-I520 WeakPolarHBondContact O-CG1 3.47Å; Y516-I520 PolarHBondContact O-N 3.44Å; Y516-F541 AromaticContact CD1-CE1 3.81Å; Y516-F541 HydrophobicContact CD1-CE1 3.81Å; Y516-F541 HydrophobicContact CD1-CZ 4.19Å; Y516-F541 HydrophobicContact CE1-CE1 4.06Å; Y516-F548 AromaticContact CE1-CE1 3.86Å; Y516-F548 HydrophobicContact CE1-CE1 3.86Å; Y516-F548 HydrophobicContact CE1-CZ 4.1Å; Y516-W555 HydrophobicContact CE1-CB 4.33Å; Y516-A558 HydrophobicContact CD2-CB 4.09Å; Y516-A558 HydrophobicContact CE1-CB 4.41Å; Y516-A558 HydrophobicContact CE2-CB 3.62Å; Y516-V559 HydrophobicContact CD1-CG2 4.14Å; Y516-V559 HydrophobicContact CE1-CG2 4.44Å; Y516-N562 WeakPolarHBondContact CB-OD1 3.27Å
517A94.2Very high90.1Very high8 Ų839.6 Ų39.67%0.06621%0.213CC..Hα-helixtrans-58.7-36174.400000114.5T515 R521 F569T515-A517 PolarHBondContact O-N 3.47Å; A517-R521 WeakPolarHBondContact O-CB 3.45Å; A517-R521 PolarHBondContact O-N 3.5Å; A517-R521 VanDerWaalsContact O-N 3.17Å; A517-F569 HydrophobicContact CB-CE2 4.21Å; A517-F569 HydrophobicContact CB-CZ 4.21Å; A517-F569 WeakPolarHBondContact O-CZ 3.39Å
518T93.1Very high90.4Very high10 Ų1039.3 Ų39.36%0.06123%0.226CC..Hα-helixtrans-71.2-40.8176.3-51.60000110.8F495 T515 Y516 Q522 R591F495-T518 HydrophobicContact CD2-CG2 4.49Å; F495-T518 HydrophobicContact CE2-CG2 4.03Å; F495-T518 HydrophobicContact CZ-CG2 4.32Å; T515-T518 PolarHBondContact O-N 2.84Å; T515-T518 PolarHBondContact OG1-N 3.48Å; T515-T518 PolarHBondContact OG1-OG1 3.35Å; Y516-T518 VanDerWaalsContact C-N 3.32Å; Y516-T518 PolarHBondContact O-N 3.37Å; T518-Q522 PolarHBondContact O-N 3.36Å; T518-R591 PolarHBondContact OG1-NH1 3.2Å
519L93.9Very high90.7Very high3 Ų343.5 Ų43.52%0.01625%0.245CC..Hα-helixtrans-70.8-40.4179.4-65.4-179.5000113F514 T515 Y516 Q522 A523 W540 F541 F545 F548F514-L519 HydrophobicContact CB-CD1 4.38Å; F514-L519 HydrophobicContact CB-CD2 3.8Å; F514-L519 HydrophobicContact CB-CG 3.9Å; F514-L519 HydrophobicContact CD2-CD2 4.24Å; F514-L519 HydrophobicContact CG-CD2 4.28Å; T515-L519 PolarHBondContact O-N 3.25Å; Y516-L519 PolarHBondContact O-N 3.44Å; L519-Q522 PolarHBondContact O-N 2.99Å; L519-A523 PolarHBondContact O-N 3.11Å; L519-W540 HydrophobicContact CB-CZ3 4.31Å; L519-W540 HydrophobicContact CD2-CH2 4.49Å; L519-F541 HydrophobicContact CB-CE1 4.19Å; L519-F541 HydrophobicContact CB-CE2 4.14Å; L519-F541 HydrophobicContact CB-CZ 3.54Å; L519-F541 HydrophobicContact CD1-CE1 4.09Å; L519-F541 HydrophobicContact CD1-CZ 4.29Å; L519-F545 HydrophobicContact CD1-CE2 4.05Å; L519-F545 HydrophobicContact CD2-CE2 3.79Å; L519-F545 HydrophobicContact CD2-CZ 3.68Å; L519-F545 HydrophobicContact CG-CE2 4.46Å; L519-F548 HydrophobicContact CD1-CE2 4.22Å; L519-F548 HydrophobicContact CD1-CZ 4.37Å
520I95.8Very high91.1Very high0 Ų045.7 Ų45.70%025%0.254CS..Hα-helixtrans-63.5-42.7174.9-67.6163.3000110.2Y516 Q522 A523 I524 I537 F541 V559 N562 L563 F569Y516-I520 WeakPolarHBondContact O-CB 3.48Å; Y516-I520 WeakPolarHBondContact O-CD1 3.43Å; Y516-I520 WeakPolarHBondContact O-CG1 3.47Å; Y516-I520 PolarHBondContact O-N 3.44Å; I520-Q522 PolarHBondContact O-N 3.42Å; I520-A523 PolarHBondContact O-N 3.06Å; I520-I524 HydrophobicContact CG2-CD1 3.88Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 3.37Å; I520-I524 VanDerWaalsContact O-N 3.07Å; I520-I537 HydrophobicContact CG1-CG2 4.45Å; I520-F541 HydrophobicContact CG1-CE2 3.95Å; I520-F541 HydrophobicContact CG1-CZ 3.97Å; I520-V559 HydrophobicContact CD1-CB 4.46Å; I520-V559 HydrophobicContact CD1-CG1 4.08Å; I520-V559 HydrophobicContact CD1-CG2 4.39Å; I520-V559 HydrophobicContact CG1-CG1 4.4Å; I520-N562 HydrophobicContact CD1-CB 3.75Å; I520-L563 HydrophobicContact CD1-CG 4.5Å; I520-L563 HydrophobicContact CG2-CD2 3.69Å; I520-F569 HydrophobicContact CB-CE1 4.19Å; I520-F569 HydrophobicContact CB-CE2 4.45Å; I520-F569 HydrophobicContact CB-CZ 3.87Å; I520-F569 HydrophobicContact CG2-CD1 4.02Å; I520-F569 HydrophobicContact CG2-CE1 3.58Å; I520-F569 HydrophobicContact CG2-CE2 4.16Å; I520-F569 HydrophobicContact CG2-CG 4.5Å; I520-F569 HydrophobicContact CG2-CZ 3.66Å
521R94.7Very high91.5Very high17 Ų1744.8 Ų44.86%0.06425%0.246CC..Hα-helixtrans-59.8-45.4173.3176178.8177.8-76.314.7111.6F495 A517 I524 M525 F569 V582 E584 Y587F495-R521 VanDerWaalsContact CE2-NH1 3.27Å; A517-R521 WeakPolarHBondContact O-CB 3.45Å; A517-R521 PolarHBondContact O-N 3.5Å; A517-R521 VanDerWaalsContact O-N 3.17Å; R521-I524 PolarHBondContact O-N 3.5Å; R521-M525 HydrophobicContact CG-CG 4.33Å; R521-M525 HydrophobicContact CG-SD 3.82Å; R521-M525 PolarHBondContact NH1-SD 3.31Å; R521-M525 WeakPolarHBondContact O-CB 3.44Å; R521-M525 WeakPolarHBondContact O-CG 3.49Å; R521-M525 PolarHBondContact O-N 3.29Å; R521-F569 HydrophobicContact CB-CE1 4.44Å; R521-V582 HydrophobicContact CB-CG2 4.42Å; R521-V582 HydrophobicContact CG-CG1 4.17Å; R521-V582 HydrophobicContact CG-CG2 4.3Å; R521-E584 IonicContact CZ-OE1 3.71Å; R521-E584 IonicContact CZ-OE2 3.26Å; R521-E584 VanDerWaalsContact CZ-OE2 3.26Å; R521-E584 IonicContact NE-OE1 3.81Å; R521-E584 IonicContact NE-OE2 2.71Å; R521-E584 PolarHBondContact NE-OE2 3.48Å; R521-E584 IonicContact NH2-OE1 2.77Å; R521-E584 PolarHBondContact NH2-OE1 3.46Å; R521-E584 IonicContact NH2-OE2 3.01Å; R521-E584 PolarHBondContact NH2-OE2 3.1Å; R521-Y587 VanDerWaalsContact CD-CD1 3.5Å
522Q93.1Very high91.8Very high0 Ų039.7 Ų39.70%023%0.228CC..Hα-helixtrans-62.4-44.9177.6-173.757.642.100111.5F493 F495 T518 L519 I520 I524 M525 D526 W540F493-Q522 HydrophobicContact CD1-CG 4.22Å; F495-Q522 VanDerWaalsContact CD2-OE1 3.28Å; T518-Q522 PolarHBondContact O-N 3.36Å; L519-Q522 PolarHBondContact O-N 2.99Å; I520-Q522 PolarHBondContact O-N 3.42Å; Q522-I524 VanDerWaalsContact C-N 3.31Å; Q522-I524 PolarHBondContact O-N 3.48Å; Q522-M525 CarbonylContact O-C 3.56Å; Q522-M525 PolarHBondContact O-N 3Å; Q522-D526 PolarHBondContact NE2-OD1 2.81Å; Q522-D526 WeakPolarHBondContact O-CB 3.42Å; Q522-D526 PolarHBondContact O-N 3.23Å; Q522-W540 HydrophobicContact CB-CH2 4.11Å; Q522-W540 HydrophobicContact CB-CZ2 4.18Å; Q522-W540 HydrophobicContact CG-CH2 4.18Å; Q522-W540 HydrophobicContact CG-CZ2 3.83Å
523A94.6Very high92.3Very high1 Ų141.6 Ų41.61%0.00824%0.24CC..Hα-helixtrans-55.7-45.317800000112.4L519 I520 D526 L532 W540L519-A523 PolarHBondContact O-N 3.11Å; I520-A523 PolarHBondContact O-N 3.06Å; A523-D526 WeakPolarHBondContact O-CB 3.5Å; A523-D526 PolarHBondContact O-N 3.48Å; A523-L532 HydrophobicContact CB-CD1 4.34Å; A523-L532 WeakPolarHBondContact O-CD1 3.5Å; A523-W540 HydrophobicContact CB-CB 4.16Å; A523-W540 HydrophobicContact CB-CD2 3.47Å; A523-W540 VanDerWaalsContact CB-CD2 3.47Å; A523-W540 HydrophobicContact CB-CE3 3.6Å; A523-W540 HydrophobicContact CB-CG 3.74Å; A523-W540 HydrophobicContact CB-CZ2 4.46Å; A523-W540 HydrophobicContact CB-CZ3 4.13Å
524I94.5Very high92.7Very high0 Ų039.5 Ų39.50%022%0.223CC..Hα-helixtrans-70.4-39.3179.9-63.5166000111I520 R521 Q522 D526 S527 M530 L532 I537 F569 W580 V582I520-I524 HydrophobicContact CG2-CD1 3.88Å; I520-I524 WeakPolarHBondContact O-CG1 3.36Å; I520-I524 PolarHBondContact O-N 3.37Å; I520-I524 VanDerWaalsContact O-N 3.07Å; R521-I524 PolarHBondContact O-N 3.5Å; Q522-I524 VanDerWaalsContact C-N 3.31Å; Q522-I524 PolarHBondContact O-N 3.48Å; I524-D526 VanDerWaalsContact C-N 3.35Å; I524-S527 WeakPolarHBondContact O-CB 3.48Å; I524-S527 PolarHBondContact O-N 3.26Å; I524-S527 PolarHBondContact O-OG 3.35Å; I524-M530 WeakPolarHBondContact CG2-O 3.47Å; I524-L532 HydrophobicContact CG1-CB 4.34Å; I524-I537 HydrophobicContact CD1-CD1 4.12Å; I524-I537 HydrophobicContact CG1-CD1 4.12Å; I524-I537 HydrophobicContact CG1-CG1 4.38Å; I524-F569 HydrophobicContact CD1-CD1 4.3Å; I524-W580 HydrophobicContact CD1-CB 4.22Å; I524-V582 HydrophobicContact CB-CG2 3.84Å; I524-V582 HydrophobicContact CD1-CG2 3.78Å; I524-V582 HydrophobicContact CG1-CG2 4.41Å; I524-V582 HydrophobicContact CG2-CG2 3.84Å
525M91.1Very high93.1Very high53 Ų5342.6 Ų42.626%0.26124%0.241SC..Hα-helixtrans-76.7-14.8177.2-66.6-174.275.600114.8I494 R521 Q522I494-M525 HydrophobicContact CG1-CB 4.42Å; I494-M525 HydrophobicContact CG1-CE 4.47Å; I494-M525 HydrophobicContact CG2-CE 4.19Å; R521-M525 HydrophobicContact CG-CG 4.33Å; R521-M525 HydrophobicContact CG-SD 3.82Å; R521-M525 PolarHBondContact NH1-SD 3.31Å; R521-M525 WeakPolarHBondContact O-CB 3.44Å; R521-M525 WeakPolarHBondContact O-CG 3.49Å; R521-M525 PolarHBondContact O-N 3.29Å; Q522-M525 CarbonylContact O-C 3.56Å; Q522-M525 PolarHBondContact O-N 3Å
526D88.9Confident93.1Very high55 Ų5542.8 Ų42.829%0.29424%0.236SC..THydrogen-bonded Turntrans-70.4-18.5167.8-103.924.4000111.8Q522 A523 I524 W540Q522-D526 PolarHBondContact NE2-OD1 2.81Å; Q522-D526 WeakPolarHBondContact O-CB 3.42Å; Q522-D526 PolarHBondContact O-N 3.23Å; A523-D526 WeakPolarHBondContact O-CB 3.5Å; A523-D526 PolarHBondContact O-N 3.48Å; I524-D526 VanDerWaalsContact C-N 3.35Å; D526-W540 PolarHBondContact OD2-NE1 2.93Å
527S89.9Confident93.2Very high21 Ų2141.1 Ų41.115%0.14723%0.23CC..SBendtrans-86.4138.7179.576.40000111.6I524 D529 M530 Q531I524-S527 WeakPolarHBondContact O-CB 3.48Å; I524-S527 PolarHBondContact O-N 3.26Å; I524-S527 PolarHBondContact O-OG 3.35Å; S527-D529 PolarHBondContact O-N 3.39Å; S527-M530 PolarHBondContact O-N 3.49Å; S527-M530 WeakPolarHBondContact OG-CA 3.41Å; S527-M530 PolarHBondContact OG-N 3.07Å; S527-Q531 PolarHBondContact OG-N 3.36Å; S527-Q531 VanDerWaalsContact OG-N 3.08Å; S527-Q531 PolarHBondContact OG-O 2.88Å
528A86.8Confident93.3Very high104 Ų10442 Ų4286%0.8623%0.232SC*.THydrogen-bonded Turntrans-57.7-35.7-179.500000112.9M530A528-M530 VanDerWaalsContact C-N 3.32Å
529D87.3Confident93.3Very high115 Ų11543.8 Ų43.862%0.61524%0.244SC*.THydrogen-bonded Turntrans-83.7-3.3-179.6-65.65.6000113.6S527 Q531S527-D529 PolarHBondContact O-N 3.39Å; D529-Q531 HydrophobicContact CB-CG 3.64Å; D529-Q531 PolarHBondContact O-N 3.22Å; D529-Q531 VanDerWaalsContact O-N 3.16Å; D529-Q531 PolarHBondContact OD2-NE2 3.38Å; D529-Q531 VanDerWaalsContact OD2-NE2 3.11Å
530M91.5Very high93.4Very high120 Ų12044.6 Ų44.659%0.59125%0.247SC*.SBendtrans51.330.2-169.4-59.6-168.9-66.100114.5I524 S527 A528I524-M530 WeakPolarHBondContact CG2-O 3.47Å; S527-M530 PolarHBondContact O-N 3.49Å; S527-M530 WeakPolarHBondContact OG-CA 3.41Å; S527-M530 PolarHBondContact OG-N 3.07Å; A528-M530 VanDerWaalsContact C-N 3.32Å
531Q93.1Very high93.3Very high48 Ų4844.6 Ų44.622%0.22425%0.247CC..EExtended strand (participates in β ladder)trans-143.9138.3-179.776.5-164.5-18.400109.9S527 D529 V579 W580 T581S527-Q531 PolarHBondContact OG-N 3.36Å; S527-Q531 VanDerWaalsContact OG-N 3.08Å; S527-Q531 PolarHBondContact OG-O 2.88Å; D529-Q531 HydrophobicContact CB-CG 3.64Å; D529-Q531 PolarHBondContact O-N 3.22Å; D529-Q531 VanDerWaalsContact O-N 3.16Å; D529-Q531 PolarHBondContact OD2-NE2 3.38Å; D529-Q531 VanDerWaalsContact OD2-NE2 3.11Å; Q531-V579 HydrophobicContact CB-CB 4.21Å; Q531-V579 HydrophobicContact CB-CG2 4Å; Q531-V579 HydrophobicContact CG-CB 4.3Å; Q531-V579 HydrophobicContact CG-CG1 4.41Å; Q531-V579 HydrophobicContact CG-CG2 4.15Å; Q531-W580 WeakPolarHBondContact CA-O 3.48Å; Q531-T581 HydrophobicContact CB-CG2 3.7Å
532L95.2Very high93.2Very high23 Ų2346 Ų4612%0.1226%0.258CS..EExtended strand (participates in β ladder)trans-138.2144173.5-73.9-175000111.8A523 I524 E536 I537 W580A523-L532 HydrophobicContact CB-CD1 4.34Å; A523-L532 WeakPolarHBondContact O-CD1 3.5Å; I524-L532 HydrophobicContact CG1-CB 4.34Å; L532-E536 HydrophobicContact CB-CB 4.21Å; L532-E536 HydrophobicContact CD1-CB 4.3Å; L532-E536 HydrophobicContact CD2-CB 3.83Å; L532-E536 HydrophobicContact CD2-CG 4.49Å; L532-E536 HydrophobicContact CG-CB 4.36Å; L532-I537 HydrophobicContact CB-CD1 4.38Å; L532-I537 HydrophobicContact CB-CG1 3.83Å; L532-I537 HydrophobicContact CD1-CG1 4.14Å; L532-W580 PolarHBondContact N-O 3.17Å; L532-W580 PolarHBondContact O-N 3.2Å
533T96.3Very high93.1Very high44 Ų4454.8 Ų54.827%0.2729%0.291SS..  trans-65.2159.1165.468.20000110.9N535 E536 I537 V579T533-N535 PolarHBondContact O-N 2.84Å; T533-N535 VanDerWaalsContact O-N 3.14Å; T533-N535 PolarHBondContact OG1-N 3.17Å; T533-E536 WeakPolarHBondContact CA-OE2 3.36Å; T533-E536 WeakPolarHBondContact CB-OE2 3.34Å; T533-E536 VanDerWaalsContact CG2-OE2 3.29Å; T533-E536 WeakPolarHBondContact CG2-OE2 3.49Å; T533-E536 PolarHBondContact N-OE2 3.49Å; T533-E536 PolarHBondContact O-N 3.36Å; T533-E536 VanDerWaalsContact O-N 3.14Å; T533-E536 VanDerWaalsContact OG1-CD 3.27Å; T533-E536 PolarHBondContact OG1-N 2.91Å; T533-E536 PolarHBondContact OG1-OE2 3.42Å; T533-I537 WeakPolarHBondContact O-CG1 3.16Å; T533-I537 PolarHBondContact O-N 3.43Å; T533-V579 HydrophobicContact CG2-CG1 3.99Å
534L95.9Very high92.7Very high50 Ų5055 Ų5526%0.26229%0.292SS..Hα-helixtrans-55.9-30.7174179.660.9000112.7Y538 V559 R560 L563L534-Y538 HydrophobicContact CD1-CD1 4.39Å; L534-Y538 HydrophobicContact CD1-CE1 3.67Å; L534-Y538 HydrophobicContact CD1-CE2 4.4Å; L534-Y538 HydrophobicContact CD2-CE2 4.41Å; L534-Y538 HydrophobicContact CG-CE1 4.1Å; L534-Y538 HydrophobicContact CG-CE2 3.91Å; L534-Y538 WeakPolarHBondContact O-CD2 3.42Å; L534-Y538 VanDerWaalsContact O-CG 3.23Å; L534-Y538 PolarHBondContact O-N 2.97Å; L534-Y538 VanDerWaalsContact O-N 3.15Å; L534-V559 HydrophobicContact CD1-CG1 4.24Å; L534-R560 HydrophobicContact CD1-CG 4.2Å; L534-R560 HydrophobicContact CD2-CG 4.02Å; L534-L563 HydrophobicContact CD1-CD1 3.59Å
535N95.7Very high92.5Very high103 Ų10355 Ų5555%0.55129%0.292SS*.Hα-helixtrans-74.4-40178.7-170.160.2000112.2T533 I537 Y538 S539T533-N535 PolarHBondContact O-N 2.84Å; T533-N535 VanDerWaalsContact O-N 3.14Å; T533-N535 PolarHBondContact OG1-N 3.17Å; N535-I537 VanDerWaalsContact C-N 3.34Å; N535-Y538 WeakPolarHBondContact O-CB 3.42Å; N535-Y538 PolarHBondContact O-N 2.99Å; N535-Y538 VanDerWaalsContact O-N 3.15Å; N535-S539 PolarHBondContact O-N 3.36Å; N535-S539 PolarHBondContact O-OG 3.21Å; N535-S539 VanDerWaalsContact O-OG 3.12Å
536E95.5Very high92.4Very high89 Ų8952.6 Ų52.642%0.41628%0.281SS..Hα-helixtrans-67.9-35.4175.9-69.4149.8147.300111.6L532 T533 Y538 S539 W540L532-E536 HydrophobicContact CB-CB 4.21Å; L532-E536 HydrophobicContact CD1-CB 4.3Å; L532-E536 HydrophobicContact CD2-CB 3.83Å; L532-E536 HydrophobicContact CD2-CG 4.49Å; L532-E536 HydrophobicContact CG-CB 4.36Å; T533-E536 WeakPolarHBondContact CA-OE2 3.36Å; T533-E536 WeakPolarHBondContact CB-OE2 3.34Å; T533-E536 VanDerWaalsContact CG2-OE2 3.29Å; T533-E536 WeakPolarHBondContact CG2-OE2 3.49Å; T533-E536 PolarHBondContact N-OE2 3.49Å; T533-E536 PolarHBondContact O-N 3.36Å; T533-E536 VanDerWaalsContact O-N 3.14Å; T533-E536 VanDerWaalsContact OG1-CD 3.27Å; T533-E536 PolarHBondContact OG1-N 2.91Å; T533-E536 PolarHBondContact OG1-OE2 3.42Å; E536-Y538 VanDerWaalsContact C-N 3.33Å; E536-Y538 PolarHBondContact O-N 3.09Å; E536-S539 PolarHBondContact O-N 2.94Å; E536-W540 WeakPolarHBondContact O-CB 3.19Å; E536-W540 PolarHBondContact O-N 3.32Å
537I95.7Very high92.5Very high0 Ų054.1 Ų54.10%028%0.283CS..Hα-helixtrans-59.8-43.5169.6-63.4168.7000110.4I520 I524 L532 T533 N535 S539 W540 F541 V559 L563 W580I520-I537 HydrophobicContact CG1-CG2 4.45Å; I524-I537 HydrophobicContact CD1-CD1 4.12Å; I524-I537 HydrophobicContact CG1-CD1 4.12Å; I524-I537 HydrophobicContact CG1-CG1 4.38Å; L532-I537 HydrophobicContact CB-CD1 4.38Å; L532-I537 HydrophobicContact CB-CG1 3.83Å; L532-I537 HydrophobicContact CD1-CG1 4.14Å; T533-I537 WeakPolarHBondContact O-CG1 3.16Å; T533-I537 PolarHBondContact O-N 3.43Å; N535-I537 VanDerWaalsContact C-N 3.34Å; I537-S539 PolarHBondContact O-N 3.39Å; I537-W540 PolarHBondContact O-N 2.92Å; I537-F541 HydrophobicContact CG2-CD2 4.05Å; I537-F541 HydrophobicContact CG2-CE2 4.05Å; I537-F541 VanDerWaalsContact O-CD2 3.29Å; I537-F541 WeakPolarHBondContact O-CD2 3.39Å; I537-F541 PolarHBondContact O-N 2.88Å; I537-V559 HydrophobicContact CG2-CG1 4.01Å; I537-L563 HydrophobicContact CD1-CD1 4.37Å; I537-L563 HydrophobicContact CD1-CD2 4.42Å; I537-W580 HydrophobicContact CD1-CB 4.22Å
538Y96.1Very high92.6Very high27 Ų2753.2 Ų53.211%0.10628%0.276CS..Hα-helixtrans-62.3-41.4173.9-62.3-27000112.5L534 N535 E536 F541 T542 W555 K556 V559 R560L534-Y538 HydrophobicContact CD1-CD1 4.39Å; L534-Y538 HydrophobicContact CD1-CE1 3.67Å; L534-Y538 HydrophobicContact CD1-CE2 4.4Å; L534-Y538 HydrophobicContact CD2-CE2 4.41Å; L534-Y538 HydrophobicContact CG-CE1 4.1Å; L534-Y538 HydrophobicContact CG-CE2 3.91Å; L534-Y538 WeakPolarHBondContact O-CD2 3.42Å; L534-Y538 VanDerWaalsContact O-CG 3.23Å; L534-Y538 PolarHBondContact O-N 2.97Å; L534-Y538 VanDerWaalsContact O-N 3.15Å; N535-Y538 WeakPolarHBondContact O-CB 3.42Å; N535-Y538 PolarHBondContact O-N 2.99Å; N535-Y538 VanDerWaalsContact O-N 3.15Å; E536-Y538 VanDerWaalsContact C-N 3.33Å; E536-Y538 PolarHBondContact O-N 3.09Å; Y538-F541 PolarHBondContact O-N 3.4Å; Y538-T542 PolarHBondContact O-N 2.98Å; Y538-T542 PolarHBondContact O-OG1 3.44Å; Y538-W555 HydrophobicContact CD1-CH2 4.29Å; Y538-W555 AromaticContact CD1-CZ3 3.78Å; Y538-W555 HydrophobicContact CD1-CZ3 3.78Å; Y538-W555 HydrophobicContact CG-CH2 4.46Å; Y538-W555 HydrophobicContact CG-CZ3 4.39Å; Y538-K556 HydrophobicContact CD1-CB 4.34Å; Y538-K556 HydrophobicContact CD1-CD 4.15Å; Y538-K556 HydrophobicContact CD1-CG 3.74Å; Y538-K556 HydrophobicContact CD2-CD 3.96Å; Y538-K556 HydrophobicContact CD2-CG 4.45Å; Y538-K556 HydrophobicContact CE1-CB 3.69Å; Y538-K556 HydrophobicContact CE1-CD 4.1Å; Y538-K556 HydrophobicContact CE1-CG 3.61Å; Y538-K556 HydrophobicContact CE2-CD 3.92Å; Y538-K556 HydrophobicContact CE2-CG 4.36Å; Y538-K556 HydrophobicContact CG-CD 4.06Å; Y538-K556 HydrophobicContact CG-CG 4.16Å; Y538-V559 HydrophobicContact CD1-CG1 4.49Å; Y538-V559 HydrophobicContact CE1-CB 4.4Å; Y538-V559 HydrophobicContact CE1-CG1 4.17Å; Y538-R560 WeakPolarHBondContact OH-CG 3.36Å; Y538-R560 PolarHBondContact OH-NH1 3.02Å; Y538-R560 VanDerWaalsContact OH-NH1 3.13Å
539S94.8Very high92.8Very high47 Ų4754.6 Ų54.633%0.32926%0.259SS..Hα-helixtrans-66.3-37.7178.1-620000112.7N535 E536 I537 T542 R543N535-S539 PolarHBondContact O-N 3.36Å; N535-S539 PolarHBondContact O-OG 3.21Å; N535-S539 VanDerWaalsContact O-OG 3.12Å; E536-S539 PolarHBondContact O-N 2.94Å; I537-S539 PolarHBondContact O-N 3.39Å; S539-T542 PolarHBondContact O-OG1 3.48Å; S539-R543 WeakPolarHBondContact O-CB 3.33Å; S539-R543 PolarHBondContact O-N 3.4Å
540W94.4Very high92.9Very high19 Ų1957 Ų577%0.07226%0.26CS..Hα-helixtrans-63.9-48.9173.1-172.796.7000110.2F493 L519 Q522 A523 D526 E536 I537 T542 R543 T544 F545F493-W540 HydrophobicContact CE1-CZ2 4.45Å; L519-W540 HydrophobicContact CB-CZ3 4.31Å; L519-W540 HydrophobicContact CD2-CH2 4.49Å; Q522-W540 HydrophobicContact CB-CH2 4.11Å; Q522-W540 HydrophobicContact CB-CZ2 4.18Å; Q522-W540 HydrophobicContact CG-CH2 4.18Å; Q522-W540 HydrophobicContact CG-CZ2 3.83Å; A523-W540 HydrophobicContact CB-CB 4.16Å; A523-W540 HydrophobicContact CB-CD2 3.47Å; A523-W540 VanDerWaalsContact CB-CD2 3.47Å; A523-W540 HydrophobicContact CB-CE3 3.6Å; A523-W540 HydrophobicContact CB-CG 3.74Å; A523-W540 HydrophobicContact CB-CZ2 4.46Å; A523-W540 HydrophobicContact CB-CZ3 4.13Å; D526-W540 PolarHBondContact OD2-NE1 2.93Å; E536-W540 WeakPolarHBondContact O-CB 3.19Å; E536-W540 PolarHBondContact O-N 3.32Å; I537-W540 PolarHBondContact O-N 2.92Å; W540-T542 VanDerWaalsContact C-N 3.31Å; W540-T542 PolarHBondContact O-N 3.22Å; W540-R543 PolarHBondContact O-N 2.98Å; W540-T544 HydrophobicContact CD2-CG2 4.44Å; W540-T544 HydrophobicContact CE3-CG2 4.41Å; W540-T544 HydrophobicContact CH2-CG2 3.8Å; W540-T544 HydrophobicContact CZ2-CG2 3.77Å; W540-T544 HydrophobicContact CZ3-CG2 4.12Å; W540-T544 WeakPolarHBondContact O-CB 3.32Å; W540-T544 PolarHBondContact O-N 2.93Å; W540-T544 PolarHBondContact O-OG1 2.96Å; W540-F545 HydrophobicContact CH2-CE2 4.05Å; W540-F545 HydrophobicContact CH2-CZ 4.33Å; W540-F545 AromaticContact CZ3-CE2 3.78Å; W540-F545 HydrophobicContact CZ3-CE2 3.78Å; W540-F545 HydrophobicContact CZ3-CZ 4.49Å
541F94.1Very high92.7Very high0 Ų056.4 Ų56.40%026%0.259CS..Hα-helixtrans-56-39.6179.8-94.8-110.3000113.7Y516 L519 I520 I537 Y538 F545 F548 W555 V559Y516-F541 AromaticContact CD1-CE1 3.81Å; Y516-F541 HydrophobicContact CD1-CE1 3.81Å; Y516-F541 HydrophobicContact CD1-CZ 4.19Å; Y516-F541 HydrophobicContact CE1-CE1 4.06Å; L519-F541 HydrophobicContact CB-CE1 4.19Å; L519-F541 HydrophobicContact CB-CE2 4.14Å; L519-F541 HydrophobicContact CB-CZ 3.54Å; L519-F541 HydrophobicContact CD1-CE1 4.09Å; L519-F541 HydrophobicContact CD1-CZ 4.29Å; I520-F541 HydrophobicContact CG1-CE2 3.95Å; I520-F541 HydrophobicContact CG1-CZ 3.97Å; I537-F541 HydrophobicContact CG2-CD2 4.05Å; I537-F541 HydrophobicContact CG2-CE2 4.05Å; I537-F541 VanDerWaalsContact O-CD2 3.29Å; I537-F541 WeakPolarHBondContact O-CD2 3.39Å; I537-F541 PolarHBondContact O-N 2.88Å; Y538-F541 PolarHBondContact O-N 3.4Å; F541-F545 PolarHBondContact O-N 3.41Å; F541-F548 HydrophobicContact CB-CB 4.48Å; F541-F548 HydrophobicContact CB-CD2 4.37Å; F541-F548 HydrophobicContact CD1-CD1 4.26Å; F541-F548 AromaticContact CD1-CD2 3.56Å; F541-F548 HydrophobicContact CD1-CD2 3.56Å; F541-F548 HydrophobicContact CD1-CE1 4.26Å; F541-F548 AromaticContact CD1-CE2 3.58Å; F541-F548 HydrophobicContact CD1-CE2 3.58Å; F541-F548 AromaticContact CD1-CG 3.93Å; F541-F548 HydrophobicContact CD1-CG 3.93Å; F541-F548 AromaticContact CD1-CZ 3.95Å; F541-F548 HydrophobicContact CD1-CZ 3.95Å; F541-F548 HydrophobicContact CE1-CD2 4.32Å; F541-F548 HydrophobicContact CE1-CE1 4.44Å; F541-F548 AromaticContact CE1-CE2 3.87Å; F541-F548 HydrophobicContact CE1-CE2 3.87Å; F541-F548 AromaticContact CE1-CZ 3.94Å; F541-F548 HydrophobicContact CE1-CZ 3.94Å; F541-F548 HydrophobicContact CG-CD2 4.37Å; F541-W555 HydrophobicContact CB-CH2 4.07Å; F541-W555 HydrophobicContact CB-CZ3 3.83Å; F541-W555 HydrophobicContact CD1-CE3 4.35Å; F541-W555 HydrophobicContact CD1-CZ3 4.43Å; F541-W555 HydrophobicContact CG-CZ3 4.27Å; F541-V559 HydrophobicContact CE1-CG2 4.19Å; F541-V559 HydrophobicContact CZ-CG2 4.15Å
542T93.1Very high92.6Very high46 Ų4656.2 Ų56.228%0.28227%0.266SS..Hα-helixtrans-82.3-27.9179.2550000114.2Y538 S539 W540 R549 W555Y538-T542 PolarHBondContact O-N 2.98Å; Y538-T542 PolarHBondContact O-OG1 3.44Å; S539-T542 PolarHBondContact O-OG1 3.48Å; W540-T542 VanDerWaalsContact C-N 3.31Å; W540-T542 PolarHBondContact O-N 3.22Å; T542-R549 WeakPolarHBondContact O-CG 3.45Å; T542-R549 PolarHBondContact O-NE 3.38Å; T542-W555 HydrophobicContact CG2-CH2 3.9Å; T542-W555 HydrophobicContact CG2-CZ2 3.62Å
543R91.3Very high92.5Very high186 Ų18658.8 Ų58.870%0.70229%0.29SS*.Hα-helixtrans-70.1-54.1173.1-175.4-176.2-65.9170.9-1.3110.3S539 W540 F545 R549S539-R543 WeakPolarHBondContact O-CB 3.33Å; S539-R543 PolarHBondContact O-N 3.4Å; W540-R543 PolarHBondContact O-N 2.98Å; R543-F545 PolarHBondContact O-N 3.02Å; R543-R549 PolarHBondContact O-NH2 3.34Å
544T85.9Confident92.3Very high4 Ų461 Ų613%0.02530%0.304CS..Hα-helixtrans-69.5-31.6-171.4-56.70000113.4Y502 K506 W540Y502-T544 HydrophobicContact CE2-CG2 3.79Å; K506-T544 WeakPolarHBondContact CA-O 3.43Å; W540-T544 HydrophobicContact CD2-CG2 4.44Å; W540-T544 HydrophobicContact CE3-CG2 4.41Å; W540-T544 HydrophobicContact CH2-CG2 3.8Å; W540-T544 HydrophobicContact CZ2-CG2 3.77Å; W540-T544 HydrophobicContact CZ3-CG2 4.12Å; W540-T544 WeakPolarHBondContact O-CB 3.32Å; W540-T544 PolarHBondContact O-N 2.93Å; W540-T544 PolarHBondContact O-OG1 2.96Å
545F90.5Very high92.3Very high1 Ų159 Ų590%0.00429%0.293CS..  trans-137.5134.9-178.5-47.7-69.2000113.4Y505 P512 L519 W540 F541 R543 Y547 F548Y505-F545 WeakPolarHBondContact O-CA 3.34Å; P512-F545 HydrophobicContact CB-CD1 4.44Å; P512-F545 HydrophobicContact CB-CE1 4.19Å; P512-F545 HydrophobicContact CB-CZ 4.42Å; P512-F545 HydrophobicContact CG-CB 4.24Å; P512-F545 HydrophobicContact CG-CD1 3.47Å; P512-F545 VanDerWaalsContact CG-CD1 3.47Å; P512-F545 HydrophobicContact CG-CD2 4.05Å; P512-F545 HydrophobicContact CG-CE1 3.67Å; P512-F545 HydrophobicContact CG-CE2 4.22Å; P512-F545 HydrophobicContact CG-CG 3.64Å; P512-F545 HydrophobicContact CG-CZ 4.04Å; L519-F545 HydrophobicContact CD1-CE2 4.05Å; L519-F545 HydrophobicContact CD2-CE2 3.79Å; L519-F545 HydrophobicContact CD2-CZ 3.68Å; L519-F545 HydrophobicContact CG-CE2 4.46Å; W540-F545 HydrophobicContact CH2-CE2 4.05Å; W540-F545 HydrophobicContact CH2-CZ 4.33Å; W540-F545 AromaticContact CZ3-CE2 3.78Å; W540-F545 HydrophobicContact CZ3-CE2 3.78Å; W540-F545 HydrophobicContact CZ3-CZ 4.49Å; F541-F545 PolarHBondContact O-N 3.41Å; R543-F545 PolarHBondContact O-N 3.02Å; F545-Y547 PolarHBondContact O-N 3.3Å; F545-F548 HydrophobicContact CB-CD2 3.88Å; F545-F548 HydrophobicContact CB-CE2 4.31Å; F545-F548 AromaticContact CD2-CD2 3.77Å; F545-F548 HydrophobicContact CD2-CD2 3.77Å; F545-F548 AromaticContact CD2-CE2 3.69Å; F545-F548 HydrophobicContact CD2-CE2 3.69Å; F545-F548 HydrophobicContact CE2-CE2 4.4Å; F545-F548 HydrophobicContact CG-CD2 4.24Å; F545-F548 HydrophobicContact CG-CE2 4.29Å
546A89.4Confident92.3Very high3 Ų357.1 Ų57.13%0.02528%0.28CS..G310 helixtrans-64.1-40.2177.800000112.5Y505 F548 R549Y505-A546 PolarHBondContact O-N 2.95Å; A546-F548 PolarHBondContact O-N 3.06Å; A546-F548 VanDerWaalsContact O-N 3.08Å; A546-R549 VanDerWaalsContact O-CB 3.29Å; A546-R549 WeakPolarHBondContact O-CB 3.43Å; A546-R549 WeakPolarHBondContact O-CG 3.47Å; A546-R549 PolarHBondContact O-N 2.76Å
547Y90.4Very high92.3Very high86 Ų8657.3 Ų57.334%0.33728%0.284SS..G310 helixtrans-50-37-178.9177.7-102.8000114.6D509 R511 F545D509-Y547 WeakPolarHBondContact O-CD2 3.3Å; R511-Y547 HydrophobicContact CB-CD1 3.91Å; R511-Y547 HydrophobicContact CB-CD2 4.06Å; R511-Y547 HydrophobicContact CB-CE1 3.75Å; R511-Y547 HydrophobicContact CB-CE2 3.91Å; R511-Y547 HydrophobicContact CB-CG 4.07Å; R511-Y547 HydrophobicContact CG-CD1 4Å; R511-Y547 HydrophobicContact CG-CE1 3.66Å; F545-Y547 PolarHBondContact O-N 3.3Å
548F91.8Very high92.4Very high3 Ų358.4 Ų58.41%0.01329%0.293CS..G310 helixtrans-84.4-4.4-179-61.3-62.1000113.9P512 Y516 L519 F541 F545 A546 R550 W555P512-F548 HydrophobicContact CG-CE2 4.41Å; Y516-F548 AromaticContact CE1-CE1 3.86Å; Y516-F548 HydrophobicContact CE1-CE1 3.86Å; Y516-F548 HydrophobicContact CE1-CZ 4.1Å; L519-F548 HydrophobicContact CD1-CE2 4.22Å; L519-F548 HydrophobicContact CD1-CZ 4.37Å; F541-F548 HydrophobicContact CB-CB 4.48Å; F541-F548 HydrophobicContact CB-CD2 4.37Å; F541-F548 HydrophobicContact CD1-CD1 4.26Å; F541-F548 AromaticContact CD1-CD2 3.56Å; F541-F548 HydrophobicContact CD1-CD2 3.56Å; F541-F548 HydrophobicContact CD1-CE1 4.26Å; F541-F548 AromaticContact CD1-CE2 3.58Å; F541-F548 HydrophobicContact CD1-CE2 3.58Å; F541-F548 AromaticContact CD1-CG 3.93Å; F541-F548 HydrophobicContact CD1-CG 3.93Å; F541-F548 AromaticContact CD1-CZ 3.95Å; F541-F548 HydrophobicContact CD1-CZ 3.95Å; F541-F548 HydrophobicContact CE1-CD2 4.32Å; F541-F548 HydrophobicContact CE1-CE1 4.44Å; F541-F548 AromaticContact CE1-CE2 3.87Å; F541-F548 HydrophobicContact CE1-CE2 3.87Å; F541-F548 AromaticContact CE1-CZ 3.94Å; F541-F548 HydrophobicContact CE1-CZ 3.94Å; F541-F548 HydrophobicContact CG-CD2 4.37Å; F545-F548 HydrophobicContact CB-CD2 3.88Å; F545-F548 HydrophobicContact CB-CE2 4.31Å; F545-F548 AromaticContact CD2-CD2 3.77Å; F545-F548 HydrophobicContact CD2-CD2 3.77Å; F545-F548 AromaticContact CD2-CE2 3.69Å; F545-F548 HydrophobicContact CD2-CE2 3.69Å; F545-F548 HydrophobicContact CE2-CE2 4.4Å; F545-F548 HydrophobicContact CG-CD2 4.24Å; F545-F548 HydrophobicContact CG-CE2 4.29Å; A546-F548 PolarHBondContact O-N 3.06Å; A546-F548 VanDerWaalsContact O-N 3.08Å; F548-R550 PolarHBondContact O-N 3.46Å; F548-W555 HydrophobicContact CB-CD2 4.25Å; F548-W555 HydrophobicContact CB-CZ2 4.18Å; F548-W555 HydrophobicContact CD1-CB 3.88Å; F548-W555 AromaticContact CD1-CD1 3.83Å; F548-W555 HydrophobicContact CD1-CD2 4Å; F548-W555 AromaticContact CD1-CG 3.66Å; F548-W555 HydrophobicContact CD1-CG 3.66Å; F548-W555 HydrophobicContact CE1-CB 4.12Å; F548-W555 HydrophobicContact CE1-CG 4.38Å; F548-W555 HydrophobicContact CG-CD2 4.45Å; F548-W555 HydrophobicContact CG-CG 4.5Å; F548-W555 VanDerWaalsContact O-CZ2 3.28Å; F548-W555 WeakPolarHBondContact O-CZ2 3.42Å; F548-W555 PolarHBondContact O-NE1 2.86Å
549R91.8Very high92.4Very high133 Ų13357.1 Ų57.150%0.50229%0.288SS..G310 helixtrans-68.5-23.4175.3-59.9178.4-169.514211.9112.2K506 T542 R543 A546K506-R549 PolarHBondContact O-NH1 2.9Å; K506-R549 PolarHBondContact O-NH2 3.41Å; T542-R549 WeakPolarHBondContact O-CG 3.45Å; T542-R549 PolarHBondContact O-NE 3.38Å; R543-R549 PolarHBondContact O-NH2 3.34Å; A546-R549 VanDerWaalsContact O-CB 3.29Å; A546-R549 WeakPolarHBondContact O-CB 3.43Å; A546-R549 WeakPolarHBondContact O-CG 3.47Å; A546-R549 PolarHBondContact O-N 2.76Å
550R88.3Confident92.5Very high164 Ų16459.9 Ų59.962%0.61929%0.291SS*.SBendtrans-103.2163.3174.3-53.4-166.9-164.9105.714.8111.7D509 F548 A552 W555D509-R550 IonicContact OD1-CZ 2.73Å; D509-R550 IonicContact OD1-NH1 3.86Å; D509-R550 PolarHBondContact OD1-NH1 2.96Å; D509-R550 IonicContact OD1-NH2 2.64Å; D509-R550 IonicContact OD2-CZ 3.69Å; D509-R550 IonicContact OD2-NH1 3.49Å; D509-R550 PolarHBondContact OD2-NH1 2.69Å; D509-R550 IonicContact OD2-NH2 3.42Å; D509-R550 PolarHBondContact OD2-NH2 3.26Å; F548-R550 PolarHBondContact O-N 3.46Å; R550-A552 PolarHBondContact O-N 3.3Å; R550-W555 PolarHBondContact O-NE1 2.82Å
551N86.6Confident92.6Very high108 Ų10863.8 Ų63.858%0.57831%0.31SS*.  trans4460.1179.4-170.93.5000114.4A553 T554N551-A553 PolarHBondContact O-N 2.96Å; N551-T554 PolarHBondContact ND2-OG1 3.49Å; N551-T554 PolarHBondContact OD1-N 2.85Å; N551-T554 PolarHBondContact OD1-OG1 3.35Å
552A91.1Very high92.8Very high45 Ų4564.9 Ų64.937%0.37232%0.315SS..Hα-helixtrans-56.8-32.8-179.500000114R550 K556R550-A552 PolarHBondContact O-N 3.3Å; A552-K556 HydrophobicContact CB-CD 4.26Å; A552-K556 WeakPolarHBondContact O-CB 3.46Å; A552-K556 WeakPolarHBondContact O-CG 3.28Å; A552-K556 PolarHBondContact O-N 3.33Å; A552-K556 VanDerWaalsContact O-N 3.08Å
553A93.5Very high92.9Very high77 Ų7762.9 Ų62.964%0.63630%0.303SS*.Hα-helixtrans-61.7-49.5-175.700000112.4N551 N557N551-A553 PolarHBondContact O-N 2.96Å; A553-N557 WeakPolarHBondContact O-CB 3.32Å; A553-N557 PolarHBondContact O-N 3.27Å
554T92.8Very high93.2Very high90 Ų9058.4 Ų58.455%0.55230%0.301SS*.Hα-helixtrans-66-50.7-175.3-550000112.2N551 N557 A558N551-T554 PolarHBondContact ND2-OG1 3.49Å; N551-T554 PolarHBondContact OD1-N 2.85Å; N551-T554 PolarHBondContact OD1-OG1 3.35Å; T554-N557 PolarHBondContact O-N 3.45Å; T554-A558 PolarHBondContact O-N 3.39Å; T554-A558 VanDerWaalsContact O-N 3.15Å
555W95.1Very high93.6Very high9 Ų963 Ų633%0.03432%0.324CS..Hα-helixtrans-78.4-33.5-174.468.5-105.1000113.1Y516 Y538 F541 T542 F548 R550 N557 A558 V559Y516-W555 HydrophobicContact CE1-CB 4.33Å; Y538-W555 HydrophobicContact CD1-CH2 4.29Å; Y538-W555 AromaticContact CD1-CZ3 3.78Å; Y538-W555 HydrophobicContact CD1-CZ3 3.78Å; Y538-W555 HydrophobicContact CG-CH2 4.46Å; Y538-W555 HydrophobicContact CG-CZ3 4.39Å; F541-W555 HydrophobicContact CB-CH2 4.07Å; F541-W555 HydrophobicContact CB-CZ3 3.83Å; F541-W555 HydrophobicContact CD1-CE3 4.35Å; F541-W555 HydrophobicContact CD1-CZ3 4.43Å; F541-W555 HydrophobicContact CG-CZ3 4.27Å; T542-W555 HydrophobicContact CG2-CH2 3.9Å; T542-W555 HydrophobicContact CG2-CZ2 3.62Å; F548-W555 HydrophobicContact CB-CD2 4.25Å; F548-W555 HydrophobicContact CB-CZ2 4.18Å; F548-W555 HydrophobicContact CD1-CB 3.88Å; F548-W555 AromaticContact CD1-CD1 3.83Å; F548-W555 HydrophobicContact CD1-CD2 4Å; F548-W555 AromaticContact CD1-CG 3.66Å; F548-W555 HydrophobicContact CD1-CG 3.66Å; F548-W555 HydrophobicContact CE1-CB 4.12Å; F548-W555 HydrophobicContact CE1-CG 4.38Å; F548-W555 HydrophobicContact CG-CD2 4.45Å; F548-W555 HydrophobicContact CG-CG 4.5Å; F548-W555 VanDerWaalsContact O-CZ2 3.28Å; F548-W555 WeakPolarHBondContact O-CZ2 3.42Å; F548-W555 PolarHBondContact O-NE1 2.86Å; R550-W555 PolarHBondContact O-NE1 2.82Å; W555-N557 PolarHBondContact O-N 3.28Å; W555-A558 PolarHBondContact O-N 2.97Å; W555-A558 VanDerWaalsContact O-N 3.16Å; W555-V559 HydrophobicContact CE3-CG2 4.18Å; W555-V559 WeakPolarHBondContact O-CG2 3.44Å; W555-V559 PolarHBondContact O-N 3.49Å
556K95.6Very high93.8Very high62 Ų6264.8 Ų64.827%0.2733%0.332SS..Hα-helixtrans-63-34.4173.1-69.2-174.8175.7-172.80111.4Y538 A552 R560Y538-K556 HydrophobicContact CD1-CB 4.34Å; Y538-K556 HydrophobicContact CD1-CD 4.15Å; Y538-K556 HydrophobicContact CD1-CG 3.74Å; Y538-K556 HydrophobicContact CD2-CD 3.96Å; Y538-K556 HydrophobicContact CD2-CG 4.45Å; Y538-K556 HydrophobicContact CE1-CB 3.69Å; Y538-K556 HydrophobicContact CE1-CD 4.1Å; Y538-K556 HydrophobicContact CE1-CG 3.61Å; Y538-K556 HydrophobicContact CE2-CD 3.92Å; Y538-K556 HydrophobicContact CE2-CG 4.36Å; Y538-K556 HydrophobicContact CG-CD 4.06Å; Y538-K556 HydrophobicContact CG-CG 4.16Å; A552-K556 HydrophobicContact CB-CD 4.26Å; A552-K556 WeakPolarHBondContact O-CB 3.46Å; A552-K556 WeakPolarHBondContact O-CG 3.28Å; A552-K556 PolarHBondContact O-N 3.33Å; A552-K556 VanDerWaalsContact O-N 3.08Å; K556-R560 WeakPolarHBondContact O-CG 3.46Å; K556-R560 PolarHBondContact O-N 3.47Å; K556-R560 VanDerWaalsContact O-N 3.1Å; K556-R560 PolarHBondContact O-NH1 3.36Å
557N96.7Very high93.9Very high93 Ų9372.5 Ų72.550%0.49737%0.366SS..Hα-helixtrans-67.9-42.6173.2-155.834.7000112A553 T554 W555 V559 R560 H561A553-N557 WeakPolarHBondContact O-CB 3.32Å; A553-N557 PolarHBondContact O-N 3.27Å; T554-N557 PolarHBondContact O-N 3.45Å; W555-N557 PolarHBondContact O-N 3.28Å; N557-V559 VanDerWaalsContact C-N 3.33Å; N557-V559 PolarHBondContact O-N 3.02Å; N557-R560 PolarHBondContact O-N 3.18Å; N557-R560 PolarHBondContact OD1-NH2 3.35Å; N557-H561 WeakPolarHBondContact O-CB 3.43Å; N557-H561 PolarHBondContact O-N 3.21Å
558A96.3Very high94.2Very high23 Ų2368.4 Ų68.419%0.1935%0.35CS..Hα-helixtrans-61.4-38.6174.800000112.8Y516 T554 W555 N562Y516-A558 HydrophobicContact CD2-CB 4.09Å; Y516-A558 HydrophobicContact CE1-CB 4.41Å; Y516-A558 HydrophobicContact CE2-CB 3.62Å; T554-A558 PolarHBondContact O-N 3.39Å; T554-A558 VanDerWaalsContact O-N 3.15Å; W555-A558 PolarHBondContact O-N 2.97Å; W555-A558 VanDerWaalsContact O-N 3.16Å; A558-N562 WeakPolarHBondContact O-CB 3.45Å; A558-N562 PolarHBondContact O-N 3.18Å; A558-N562 PolarHBondContact O-ND2 2.86Å
559V97.1Very high94.4Very high0 Ų068.7 Ų68.70%035%0.351CS..Hα-helixtrans-63.7-51174.9168.30000111.2Y516 I520 L534 I537 Y538 F541 W555 N557 H561 N562 L563Y516-V559 HydrophobicContact CD1-CG2 4.14Å; Y516-V559 HydrophobicContact CE1-CG2 4.44Å; I520-V559 HydrophobicContact CD1-CB 4.46Å; I520-V559 HydrophobicContact CD1-CG1 4.08Å; I520-V559 HydrophobicContact CD1-CG2 4.39Å; I520-V559 HydrophobicContact CG1-CG1 4.4Å; L534-V559 HydrophobicContact CD1-CG1 4.24Å; I537-V559 HydrophobicContact CG2-CG1 4.01Å; Y538-V559 HydrophobicContact CD1-CG1 4.49Å; Y538-V559 HydrophobicContact CE1-CB 4.4Å; Y538-V559 HydrophobicContact CE1-CG1 4.17Å; F541-V559 HydrophobicContact CE1-CG2 4.19Å; F541-V559 HydrophobicContact CZ-CG2 4.15Å; W555-V559 HydrophobicContact CE3-CG2 4.18Å; W555-V559 WeakPolarHBondContact O-CG2 3.44Å; W555-V559 PolarHBondContact O-N 3.49Å; N557-V559 VanDerWaalsContact C-N 3.33Å; N557-V559 PolarHBondContact O-N 3.02Å; V559-H561 VanDerWaalsContact C-N 3.31Å; V559-H561 PolarHBondContact O-N 3.22Å; V559-N562 PolarHBondContact O-N 2.69Å; V559-N562 VanDerWaalsContact O-N 3.12Å; V559-L563 HydrophobicContact CG1-CD1 3.99Å; V559-L563 WeakPolarHBondContact O-CG 3.43Å; V559-L563 PolarHBondContact O-N 3.37Å
560R97.2Very high94.6Very high105 Ų10565.2 Ų65.240%0.39634%0.344SS..Hα-helixtrans-56-45.4175.6-71.1-173.2-57-95.59112.2L534 Y538 K556 N557 N562 L563 S564L534-R560 HydrophobicContact CD1-CG 4.2Å; L534-R560 HydrophobicContact CD2-CG 4.02Å; Y538-R560 WeakPolarHBondContact OH-CG 3.36Å; Y538-R560 PolarHBondContact OH-NH1 3.02Å; Y538-R560 VanDerWaalsContact OH-NH1 3.13Å; K556-R560 WeakPolarHBondContact O-CG 3.46Å; K556-R560 PolarHBondContact O-N 3.47Å; K556-R560 VanDerWaalsContact O-N 3.1Å; K556-R560 PolarHBondContact O-NH1 3.36Å; N557-R560 PolarHBondContact O-N 3.18Å; N557-R560 PolarHBondContact OD1-NH2 3.35Å; R560-N562 PolarHBondContact O-N 2.87Å; R560-L563 PolarHBondContact O-N 2.89Å; R560-S564 PolarHBondContact O-N 3.02Å; R560-S564 PolarHBondContact O-OG 2.91Å
561H96.8Very high95Very high102 Ų10265 Ų6547%0.47234%0.344SS..Hα-helixtrans-61.5-42.1176.5176.363.4000112.3N557 V559 S564 L565N557-H561 WeakPolarHBondContact O-CB 3.43Å; N557-H561 PolarHBondContact O-N 3.21Å; V559-H561 VanDerWaalsContact C-N 3.31Å; V559-H561 PolarHBondContact O-N 3.22Å; H561-S564 PolarHBondContact O-N 3.01Å; H561-S564 PolarHBondContact O-OG 2.92Å; H561-L565 WeakPolarHBondContact O-CB 3.43Å; H561-L565 PolarHBondContact O-N 3.07Å
562N97.1Very high95.4Very high22 Ų2262.6 Ų62.612%0.11833%0.332CS..Hα-helixtrans-64.1-41.4177-86.8-112.5000111.8Y516 I520 A558 V559 R560 L565 H566Y516-N562 WeakPolarHBondContact CB-OD1 3.27Å; I520-N562 HydrophobicContact CD1-CB 3.75Å; A558-N562 WeakPolarHBondContact O-CB 3.45Å; A558-N562 PolarHBondContact O-N 3.18Å; A558-N562 PolarHBondContact O-ND2 2.86Å; V559-N562 PolarHBondContact O-N 2.69Å; V559-N562 VanDerWaalsContact O-N 3.12Å; R560-N562 PolarHBondContact O-N 2.87Å; N562-L565 PolarHBondContact O-N 2.93Å; N562-H566 WeakPolarHBondContact O-CB 3.42Å; N562-H566 PolarHBondContact O-N 3.46Å
563L96.5Very high95.5Very high4 Ų467.7 Ų67.72%0.02135%0.348CS..Hα-helixtrans-61.5-42.4176.1-69.8167.6000111.8I520 L534 I537 V559 R560 F569 W580I520-L563 HydrophobicContact CD1-CG 4.5Å; I520-L563 HydrophobicContact CG2-CD2 3.69Å; L534-L563 HydrophobicContact CD1-CD1 3.59Å; I537-L563 HydrophobicContact CD1-CD1 4.37Å; I537-L563 HydrophobicContact CD1-CD2 4.42Å; V559-L563 HydrophobicContact CG1-CD1 3.99Å; V559-L563 WeakPolarHBondContact O-CG 3.43Å; V559-L563 PolarHBondContact O-N 3.37Å; R560-L563 PolarHBondContact O-N 2.89Å; L563-F569 HydrophobicContact CD2-CB 3.85Å; L563-F569 HydrophobicContact CD2-CD1 4.34Å; L563-F569 HydrophobicContact CD2-CD2 4.08Å; L563-F569 HydrophobicContact CD2-CG 3.84Å; L563-W580 HydrophobicContact CB-CD2 4.29Å; L563-W580 HydrophobicContact CB-CE3 4.11Å; L563-W580 HydrophobicContact CB-CH2 3.84Å; L563-W580 HydrophobicContact CB-CZ2 4.04Å; L563-W580 HydrophobicContact CB-CZ3 3.88Å; L563-W580 HydrophobicContact CD1-CD2 4.22Å; L563-W580 HydrophobicContact CD1-CG 4.38Å; L563-W580 HydrophobicContact CD1-CZ2 4.49Å; L563-W580 HydrophobicContact CD2-CB 4.34Å; L563-W580 HydrophobicContact CD2-CD2 3.88Å; L563-W580 HydrophobicContact CD2-CE3 3.89Å; L563-W580 HydrophobicContact CD2-CG 4.09Å; L563-W580 HydrophobicContact CD2-CZ3 4.49Å; L563-W580 HydrophobicContact CG-CD2 4.36Å; L563-W580 HydrophobicContact CG-CE3 4.48Å
564S95.8Very high95.1Very high93 Ų9367.1 Ų67.165%0.6534%0.335SS*.Hα-helixtrans-79.3-28.1178.2680000114.6R560 H561R560-S564 PolarHBondContact O-N 3.02Å; R560-S564 PolarHBondContact O-OG 2.91Å; H561-S564 PolarHBondContact O-N 3.01Å; H561-S564 PolarHBondContact O-OG 2.92Å
565L94.9Very high94.7Very high99 Ų9970 Ų7052%0.51835%0.352SS..Hα-helixtrans-77.4-23.7-177.3-178.968.1000113.1H561 N562H561-L565 WeakPolarHBondContact O-CB 3.43Å; H561-L565 PolarHBondContact O-N 3.07Å; N562-L565 PolarHBondContact O-N 2.93Å
566H94.4Very high94.1Very high39 Ų3979.4 Ų79.418%0.18139%0.393CS..  trans-120.4107.5-164.6-71.3-14.8000111.9N562 C568 F569 R590N562-H566 WeakPolarHBondContact O-CB 3.42Å; N562-H566 PolarHBondContact O-N 3.46Å; H566-C568 PolarHBondContact O-N 2.89Å; H566-F569 HydrophobicContact CB-CD2 3.84Å; H566-F569 HydrophobicContact CB-CE2 4.13Å; H566-F569 PolarHBondContact O-N 3.12Å; H566-R590 PolarHBondContact CD2-NH1 3.14Å; H566-R590 VanDerWaalsContact CD2-NH1 3.31Å
567K93.1Very high93.8Very high166 Ų16678.2 Ų78.272%0.72240%0.398SS*.THydrogen-bonded Turntrans-49-20.6176.3-77.7-171.8162.167.60116F569K567-F569 PolarHBondContact O-N 3.5Å
568C94.8Very high93.7Very high0 Ų075 Ų750%039%0.385CS..THydrogen-bonded Turntrans-74.9-5.6174.765.70000114.1H566 V582 D583 E586 Y587 R590H566-C568 PolarHBondContact O-N 2.89Å; C568-V582 CarbonylContact O-C 3.54Å; C568-V582 VanDerWaalsContact O-CA 3.3Å; C568-V582 WeakPolarHBondContact O-CA 3.35Å; C568-D583 WeakPolarHBondContact CB-O 3.33Å; C568-D583 PolarHBondContact O-N 3.14Å; C568-E586 HydrophobicContact CB-CB 4.08Å; C568-Y587 HydrophobicContact CB-CD2 4.38Å; C568-R590 PolarHBondContact SG-NH1 3.27Å; C568-R590 PolarHBondContact SG-NH2 3.35Å
569F96.7Very high93.7Very high9 Ų974.4 Ų74.44%0.03938%0.379CS..EExtended strand (participates in β ladder)trans-110.3112.9169.4-58.2-52.5000107.8A517 I520 R521 I524 L563 H566 K567 W580 T581 V582A517-F569 HydrophobicContact CB-CE2 4.21Å; A517-F569 HydrophobicContact CB-CZ 4.21Å; A517-F569 WeakPolarHBondContact O-CZ 3.39Å; I520-F569 HydrophobicContact CB-CE1 4.19Å; I520-F569 HydrophobicContact CB-CE2 4.45Å; I520-F569 HydrophobicContact CB-CZ 3.87Å; I520-F569 HydrophobicContact CG2-CD1 4.02Å; I520-F569 HydrophobicContact CG2-CE1 3.58Å; I520-F569 HydrophobicContact CG2-CE2 4.16Å; I520-F569 HydrophobicContact CG2-CG 4.5Å; I520-F569 HydrophobicContact CG2-CZ 3.66Å; R521-F569 HydrophobicContact CB-CE1 4.44Å; I524-F569 HydrophobicContact CD1-CD1 4.3Å; L563-F569 HydrophobicContact CD2-CB 3.85Å; L563-F569 HydrophobicContact CD2-CD1 4.34Å; L563-F569 HydrophobicContact CD2-CD2 4.08Å; L563-F569 HydrophobicContact CD2-CG 3.84Å; H566-F569 HydrophobicContact CB-CD2 3.84Å; H566-F569 HydrophobicContact CB-CE2 4.13Å; H566-F569 PolarHBondContact O-N 3.12Å; K567-F569 PolarHBondContact O-N 3.5Å; F569-W580 HydrophobicContact CB-CE3 4.08Å; F569-W580 HydrophobicContact CB-CZ3 4.36Å; F569-T581 WeakPolarHBondContact CA-O 3.2Å; F569-V582 HydrophobicContact CD1-CG2 4.09Å; F569-V582 HydrophobicContact CE1-CG2 4.05Å
570V95.8Very high93.7Very high60 Ų6076.5 Ų76.536%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-106.5130.5-177.2-178.80000108.1V572 W580 T581 D583V570-V572 HydrophobicContact CG1-CG2 4.21Å; V570-W580 WeakPolarHBondContact O-CA 3.25Å; V570-T581 PolarHBondContact N-O 3.48Å; V570-T581 VanDerWaalsContact N-O 3.08Å; V570-T581 PolarHBondContact O-N 2.87Å; V570-T581 PolarHBondContact O-OG1 3.11Å; V570-D583 HydrophobicContact CG2-CB 4.34Å
571R96.2Very high93.6Very high160 Ų16073 Ų7360%0.60438%0.377SS*.EExtended strand (participates in β ladder)trans-83.9117.3170.5178.1179.6162.7168.1-3.1108A578 V579 W580R571-A578 HydrophobicContact CG-CB 3.89Å; R571-V579 CarbonylContact C-O 3.58Å; R571-V579 WeakPolarHBondContact CA-O 3.36Å; R571-W580 HydrophobicContact CB-CD2 4.27Å; R571-W580 HydrophobicContact CB-CE3 4.05Å; R571-W580 HydrophobicContact CB-CH2 4.02Å; R571-W580 HydrophobicContact CB-CZ2 4.21Å; R571-W580 HydrophobicContact CB-CZ3 3.94Å
572V95.3Very high93.5Very high57 Ų5769.6 Ų69.635%0.34536%0.363SS..EExtended strand (participates in β ladder)trans-107.3136.7175.7-177.70000108.3V570 A578 V579 T581V570-V572 HydrophobicContact CG1-CG2 4.21Å; V572-A578 CarbonylContact O-C 3.21Å; V572-A578 WeakPolarHBondContact O-CA 3.18Å; V572-V579 HydrophobicContact CB-CG2 4.04Å; V572-V579 PolarHBondContact N-O 3.25Å; V572-V579 PolarHBondContact O-N 3.12Å; V572-T581 HydrophobicContact CG2-CG2 3.85Å
573E94.3Very high93.4Very high151 Ų15171.3 Ų71.371%0.70637%0.372SS*.EExtended strand (participates in β ladder)trans-84.9130.3174.6-164.5127.1-10900109.6
574N85.3Confident93.1Very high65 Ų6573.7 Ų73.735%0.34838%0.383SS..EExtended strand (participates in β ladder)trans-125.6161.5178.4-1724.7000108.7K576 G577 V579N574-K576 PolarHBondContact O-N 2.95Å; N574-G577 CarbonylContact C-O 3.59Å; N574-G577 WeakPolarHBondContact CB-O 3.38Å; N574-G577 PolarHBondContact N-O 3.21Å; N574-G577 VanDerWaalsContact N-O 3.16Å; N574-G577 CarbonylContact O-C 3.6Å; N574-G577 PolarHBondContact O-N 3.39Å; N574-G577 VanDerWaalsContact O-O 3.11Å; N574-V579 HydrophobicContact CB-CG1 4.49Å; N574-V579 HydrophobicContact CB-CG2 4.45Å
575V84.3Confident92.8Very high151 Ų15174.3 Ų74.392%0.91538%0.383SS*.THydrogen-bonded Turntrans-59.1-15-174.6-59.30000114.5
576K82.3Confident92.6Very high206 Ų20671.8 Ų71.890%0.89637%0.369SS*.THydrogen-bonded Turntrans-109.113.5178.6-155.9174.4179179.80113N574N574-K576 PolarHBondContact O-N 2.95Å
577G90.3Very high92.3Very high37 Ų3770.7 Ų70.738%0.38136%0.363SS..EExtended strand (participates in β ladder)trans105.8-179.3-172.100000112.9N574N574-G577 CarbonylContact C-O 3.59Å; N574-G577 WeakPolarHBondContact CB-O 3.38Å; N574-G577 PolarHBondContact N-O 3.21Å; N574-G577 VanDerWaalsContact N-O 3.16Å; N574-G577 CarbonylContact O-C 3.6Å; N574-G577 PolarHBondContact O-N 3.39Å; N574-G577 VanDerWaalsContact O-O 3.11Å
578A93.5Very high92Very high26 Ų2667.8 Ų67.822%0.21535%0.352CS..EExtended strand (participates in β ladder)trans-84.1136.6-170.500000114.7R571 V572R571-A578 HydrophobicContact CG-CB 3.89Å; V572-A578 CarbonylContact O-C 3.21Å; V572-A578 WeakPolarHBondContact O-CA 3.18Å
579V95.9Very high91.6Very high10 Ų1074 Ų746%0.06138%0.379CS..EExtended strand (participates in β ladder)trans-110165.1175-63.50000110.8Q531 T533 R571 V572 N574Q531-V579 HydrophobicContact CB-CB 4.21Å; Q531-V579 HydrophobicContact CB-CG2 4Å; Q531-V579 HydrophobicContact CG-CB 4.3Å; Q531-V579 HydrophobicContact CG-CG1 4.41Å; Q531-V579 HydrophobicContact CG-CG2 4.15Å; T533-V579 HydrophobicContact CG2-CG1 3.99Å; R571-V579 CarbonylContact C-O 3.58Å; R571-V579 WeakPolarHBondContact CA-O 3.36Å; V572-V579 HydrophobicContact CB-CG2 4.04Å; V572-V579 PolarHBondContact N-O 3.25Å; V572-V579 PolarHBondContact O-N 3.12Å; N574-V579 HydrophobicContact CB-CG1 4.49Å; N574-V579 HydrophobicContact CB-CG2 4.45Å
580W97.3Very high90.6Very high45 Ų4577.3 Ų77.317%0.1739%0.391CS..EExtended strand (participates in β ladder)trans-114.3126.7172.7-67.589.1000110.2I524 Q531 L532 I537 L563 F569 V570 R571I524-W580 HydrophobicContact CD1-CB 4.22Å; Q531-W580 WeakPolarHBondContact CA-O 3.48Å; L532-W580 PolarHBondContact N-O 3.17Å; L532-W580 PolarHBondContact O-N 3.2Å; I537-W580 HydrophobicContact CD1-CB 4.22Å; L563-W580 HydrophobicContact CB-CD2 4.29Å; L563-W580 HydrophobicContact CB-CE3 4.11Å; L563-W580 HydrophobicContact CB-CH2 3.84Å; L563-W580 HydrophobicContact CB-CZ2 4.04Å; L563-W580 HydrophobicContact CB-CZ3 3.88Å; L563-W580 HydrophobicContact CD1-CD2 4.22Å; L563-W580 HydrophobicContact CD1-CG 4.38Å; L563-W580 HydrophobicContact CD1-CZ2 4.49Å; L563-W580 HydrophobicContact CD2-CB 4.34Å; L563-W580 HydrophobicContact CD2-CD2 3.88Å; L563-W580 HydrophobicContact CD2-CE3 3.89Å; L563-W580 HydrophobicContact CD2-CG 4.09Å; L563-W580 HydrophobicContact CD2-CZ3 4.49Å; L563-W580 HydrophobicContact CG-CD2 4.36Å; L563-W580 HydrophobicContact CG-CE3 4.48Å; F569-W580 HydrophobicContact CB-CE3 4.08Å; F569-W580 HydrophobicContact CB-CZ3 4.36Å; V570-W580 WeakPolarHBondContact O-CA 3.25Å; R571-W580 HydrophobicContact CB-CD2 4.27Å; R571-W580 HydrophobicContact CB-CE3 4.05Å; R571-W580 HydrophobicContact CB-CH2 4.02Å; R571-W580 HydrophobicContact CB-CZ2 4.21Å; R571-W580 HydrophobicContact CB-CZ3 3.94Å
581T95.6Very high89.2Confident32 Ų3280.3 Ų80.320%0.19640%0.396CS..EExtended strand (participates in β ladder)trans-107.6168.3173.457.90000110.5Q531 F569 V570 V572Q531-T581 HydrophobicContact CB-CG2 3.7Å; F569-T581 WeakPolarHBondContact CA-O 3.2Å; V570-T581 PolarHBondContact N-O 3.48Å; V570-T581 VanDerWaalsContact N-O 3.08Å; V570-T581 PolarHBondContact O-N 2.87Å; V570-T581 PolarHBondContact O-OG1 3.11Å; V572-T581 HydrophobicContact CG2-CG2 3.85Å
582V95.4Very high87.3Confident29 Ų2976.5 Ų76.518%0.17639%0.394CS..EExtended strand (participates in β ladder)trans-109.4121.5171.8-175.60000110.1R521 I524 C568 F569 E584R521-V582 HydrophobicContact CB-CG2 4.42Å; R521-V582 HydrophobicContact CG-CG1 4.17Å; R521-V582 HydrophobicContact CG-CG2 4.3Å; I524-V582 HydrophobicContact CB-CG2 3.84Å; I524-V582 HydrophobicContact CD1-CG2 3.78Å; I524-V582 HydrophobicContact CG1-CG2 4.41Å; I524-V582 HydrophobicContact CG2-CG2 3.84Å; C568-V582 CarbonylContact O-C 3.54Å; C568-V582 VanDerWaalsContact O-CA 3.3Å; C568-V582 WeakPolarHBondContact O-CA 3.35Å; F569-V582 HydrophobicContact CD1-CG2 4.09Å; F569-V582 HydrophobicContact CE1-CG2 4.05Å; V582-E584 PolarHBondContact O-N 3.28Å
583D94.1Very high85.3Confident58 Ų5881.5 Ų81.531%0.3141%0.414SS..  trans-79.7104.7159.5177.7-13.3000108.2C568 V570 V585 E586 Y587C568-D583 WeakPolarHBondContact CB-O 3.33Å; C568-D583 PolarHBondContact O-N 3.14Å; V570-D583 HydrophobicContact CG2-CB 4.34Å; D583-V585 VanDerWaalsContact C-N 3.31Å; D583-V585 PolarHBondContact O-N 3.42Å; D583-V585 WeakPolarHBondContact OD1-CA 3.48Å; D583-V585 WeakPolarHBondContact OD1-CB 3.29Å; D583-V585 PolarHBondContact OD1-N 3.06Å; D583-E586 HydrophobicContact CB-CB 4.2Å; D583-E586 PolarHBondContact OD1-N 2.94Å; D583-E586 WeakPolarHBondContact OD2-CG 3.5Å; D583-Y587 WeakPolarHBondContact O-CB 3.37Å; D583-Y587 PolarHBondContact O-N 2.97Å
584E90.4Very high82.9Confident54 Ų5483.6 Ų83.625%0.25242%0.42SS..Hα-helixtrans-68.6-28.9-179.6-179.358.6-172.900112.7R521 V582 Y587 Q588R521-E584 IonicContact CZ-OE1 3.71Å; R521-E584 IonicContact CZ-OE2 3.26Å; R521-E584 VanDerWaalsContact CZ-OE2 3.26Å; R521-E584 IonicContact NE-OE1 3.81Å; R521-E584 IonicContact NE-OE2 2.71Å; R521-E584 PolarHBondContact NE-OE2 3.48Å; R521-E584 IonicContact NH2-OE1 2.77Å; R521-E584 PolarHBondContact NH2-OE1 3.46Å; R521-E584 IonicContact NH2-OE2 3.01Å; R521-E584 PolarHBondContact NH2-OE2 3.1Å; V582-E584 PolarHBondContact O-N 3.28Å; E584-Y587 PolarHBondContact O-N 3.23Å; E584-Q588 HydrophobicContact CG-CG 4.35Å; E584-Q588 WeakPolarHBondContact O-CB 3.33Å; E584-Q588 VanDerWaalsContact O-CG 3.24Å; E584-Q588 WeakPolarHBondContact O-CG 3.29Å; E584-Q588 PolarHBondContact O-N 3.02Å; E584-Q588 WeakPolarHBondContact OE1-CG 3.39Å; E584-Q588 PolarHBondContact OE1-NE2 2.78Å
585V89.3Confident81.1Confident107 Ų10787.7 Ų87.765%0.64844%0.441SS*.Hα-helixtrans-70.7-48.1178.4-175.40000109.7D583 Y587 Q588 K589D583-V585 VanDerWaalsContact C-N 3.31Å; D583-V585 PolarHBondContact O-N 3.42Å; D583-V585 WeakPolarHBondContact OD1-CA 3.48Å; D583-V585 WeakPolarHBondContact OD1-CB 3.29Å; D583-V585 PolarHBondContact OD1-N 3.06Å; V585-Y587 VanDerWaalsContact C-N 3.29Å; V585-Y587 PolarHBondContact O-N 3.38Å; V585-Q588 PolarHBondContact O-N 3.43Å; V585-K589 WeakPolarHBondContact O-CB 3.5Å; V585-K589 PolarHBondContact O-N 3.4Å
586E90.9Very high79.2Confident46 Ų4685.4 Ų85.422%0.21543%0.427CS..Hα-helixtrans-66.2-28.1172.9-82.8-68.6136.600112.9C568 D583 K589 R590C568-E586 HydrophobicContact CB-CB 4.08Å; D583-E586 HydrophobicContact CB-CB 4.2Å; D583-E586 PolarHBondContact OD1-N 2.94Å; D583-E586 WeakPolarHBondContact OD2-CG 3.5Å; E586-K589 WeakPolarHBondContact OE1-CD 3.4Å; E586-K589 WeakPolarHBondContact OE1-CE 3.33Å; E586-K589 IonicContact OE1-NZ 3.64Å; E586-K589 PolarHBondContact OE1-NZ 3.09Å; E586-R590 PolarHBondContact O-N 2.99Å
587Y88.4Confident77.1Confident16 Ų1678.3 Ų78.36%0.06341%0.413CS..Hα-helixtrans-68-50.6172.2-174.4-102.4000111.6R521 C568 D583 E584 V585 R590 R591R521-Y587 VanDerWaalsContact CD-CD1 3.5Å; C568-Y587 HydrophobicContact CB-CD2 4.38Å; D583-Y587 WeakPolarHBondContact O-CB 3.37Å; D583-Y587 PolarHBondContact O-N 2.97Å; E584-Y587 PolarHBondContact O-N 3.23Å; V585-Y587 VanDerWaalsContact C-N 3.29Å; V585-Y587 PolarHBondContact O-N 3.38Å; Y587-R590 PolarHBondContact O-N 3.17Å; Y587-R591 PolarHBondContact O-N 3.02Å; Y587-R591 VanDerWaalsContact O-N 3.08Å; Y587-R591 PolarHBondContact OH-NH1 3.25Å; Y587-R591 VanDerWaalsContact OH-NH1 3.09Å
588Q86.6Confident74.2Confident104 Ų10481.4 Ų81.449%0.48643%0.428SS..Hα-helixtrans-64.1-43.1179.5-72.7177.714.600112.1E584 V585 R590 R591 S592E584-Q588 HydrophobicContact CG-CG 4.35Å; E584-Q588 WeakPolarHBondContact O-CB 3.33Å; E584-Q588 VanDerWaalsContact O-CG 3.24Å; E584-Q588 WeakPolarHBondContact O-CG 3.29Å; E584-Q588 PolarHBondContact O-N 3.02Å; E584-Q588 WeakPolarHBondContact OE1-CG 3.39Å; E584-Q588 PolarHBondContact OE1-NE2 2.78Å; V585-Q588 PolarHBondContact O-N 3.43Å; Q588-R590 PolarHBondContact O-N 3.06Å; Q588-R591 WeakPolarHBondContact O-CA 3.36Å; Q588-R591 WeakPolarHBondContact O-CB 3.5Å; Q588-R591 PolarHBondContact O-N 3.37Å; Q588-S592 PolarHBondContact O-N 3.24Å; Q588-S592 PolarHBondContact O-OG 2.98Å
589K86Confident71.8Confident131 Ų13186.3 Ų86.357%0.5746%0.458SS*.Hα-helixtrans-51.6-39.2174.7-176.8178.6179.6178.40112.6V585 E586V585-K589 WeakPolarHBondContact O-CB 3.5Å; V585-K589 PolarHBondContact O-N 3.4Å; E586-K589 WeakPolarHBondContact OE1-CD 3.4Å; E586-K589 WeakPolarHBondContact OE1-CE 3.33Å; E586-K589 IonicContact OE1-NZ 3.64Å; E586-K589 PolarHBondContact OE1-NZ 3.09Å
590R75.3Confident69Low79 Ų7990.2 Ų90.230%0.29849%0.486SS..Hα-helixtrans-75.1-38.9173-163.6-175.4-50.8125.625.2112.8H566 C568 E586 Y587 Q588 S592 Q593H566-R590 PolarHBondContact CD2-NH1 3.14Å; H566-R590 VanDerWaalsContact CD2-NH1 3.31Å; C568-R590 PolarHBondContact SG-NH1 3.27Å; C568-R590 PolarHBondContact SG-NH2 3.35Å; E586-R590 PolarHBondContact O-N 2.99Å; Y587-R590 PolarHBondContact O-N 3.17Å; Q588-R590 PolarHBondContact O-N 3.06Å; R590-S592 VanDerWaalsContact C-N 3.35Å; R590-S592 PolarHBondContact O-N 2.82Å; R590-Q593 PolarHBondContact O-N 2.94Å
591R67.9Low66.6Low122 Ų12295.9 Ų95.946%0.4652%0.519SS..Hα-helixtrans-62.4-40.9-178.9-158.376.5178.1-156.90.1111.8T518 Y587 Q588 Q593 K594T518-R591 PolarHBondContact OG1-NH1 3.2Å; Y587-R591 PolarHBondContact O-N 3.02Å; Y587-R591 VanDerWaalsContact O-N 3.08Å; Y587-R591 PolarHBondContact OH-NH1 3.25Å; Y587-R591 VanDerWaalsContact OH-NH1 3.09Å; Q588-R591 WeakPolarHBondContact O-CA 3.36Å; Q588-R591 WeakPolarHBondContact O-CB 3.5Å; Q588-R591 PolarHBondContact O-N 3.37Å; R591-Q593 VanDerWaalsContact C-N 3.29Å; R591-Q593 PolarHBondContact O-N 3.14Å; R591-K594 PolarHBondContact O-N 3.17Å
592S55.4Low63.9Low81 Ų81101.5 Ų101.557%0.56655%0.553SS**Hα-helixtrans-61.5-30.2-178.4-62.60000114.3Q588 R590 K594Q588-S592 PolarHBondContact O-N 3.24Å; Q588-S592 PolarHBondContact O-OG 2.98Å; R590-S592 VanDerWaalsContact C-N 3.35Å; R590-S592 PolarHBondContact O-N 2.82Å; S592-K594 PolarHBondContact O-N 3.37Å; S592-K594 VanDerWaalsContact O-N 3.13Å
593Q52.5Low61.2Low162 Ų162109.8 Ų109.876%0.75759%0.586SS**THydrogen-bonded Turntrans-66.1-12.1178.3-73.7-165.4-30.300114.5R590 R591R590-Q593 PolarHBondContact O-N 2.94Å; R591-Q593 VanDerWaalsContact C-N 3.29Å; R591-Q593 PolarHBondContact O-N 3.14Å
594K44.3Very low58.4Low194 Ų194115 Ų11584%0.84361%0.614SS**THydrogen-bonded Turntrans-107.85.1-172.8-144.1179.4-174.8-61.30115.3R591 S592R591-K594 PolarHBondContact O-N 3.17Å; S592-K594 PolarHBondContact O-N 3.37Å; S592-K594 VanDerWaalsContact O-N 3.13Å
595I48.3Very low55.6Low151 Ų151120 Ų12077%0.77464%0.642SS**THydrogen-bonded Turntrans-117.8-27.1-177.6-72175.2000113
596T43.2Very low53.1Low103 Ų103120.5 Ų120.563%0.63265%0.648SS**SBendtrans-86.1143.8169.4-1660000111.7
597G38.8Very low50.1Low58 Ų58124.4 Ų124.460%0.59868%0.68SS**  trans-84.7143.6169.200000111.2
598S30Very low47.4Very low101 Ų101129 Ų12971%0.70672%0.715SS**  trans44.178.8159.4-54.30000117.5S600S598-S600 PolarHBondContact O-N 3.27Å
599P42.3Very low44.8Very low129 Ų129132.6 Ų132.684%0.83874%0.736SS**  trans-74.862.9166.734.5-35.9000110.8
600S37.7Very low42.1Very low92 Ų92129.8 Ų129.864%0.64374%0.744SS**  trans-140.134.8-169.470.60000114.4S598S598-S600 PolarHBondContact O-N 3.27Å
601L45.9Very low40Very low164 Ų164137.4 Ų137.486%0.85977%0.774SS**SBendtrans-162.355.8165.6-118.3171.8000114.6
602V40.4Very low38.6Very low151 Ų151135.2 Ų135.292%0.91579%0.79SS**  trans-155.697.1155-94.20000110.1
603K37Very low38.1Very low202 Ų202138.2 Ų138.288%0.87881%0.805SS**  trans-136.473164-170.2-179179.2-179.40109.4
604N36.8Very low37.5Very low168 Ų168134.4 Ų134.490%0.89880%0.801SS**  trans-168.371.7164.8-100-27.9000111.4
605L31.1Very low37.3Very low159 Ų159133.3 Ų133.383%0.83280%0.803SS**  trans-158.4131.7148.1-157.166.9000108.1
606P35.7Very low37Very low118 Ų118131.8 Ų131.877%0.76680%0.797SS**  trans-71.7142.5177.329.5-34000110.9
607S29.4Very low37Very low128 Ų128130.2 Ų130.290%0.89580%0.795SS**  trans-89118.6176.1-56.10000111.1
608S30.2Very low37.1Very low113 Ų113132 Ų13279%0.7980%0.798SS**  trans-118.5107.4162.659.70000109.9
609L33.5Very low37.8Very low179 Ų179133.2 Ų133.294%0.93780%0.796SS**  trans19.3118149-166.771.9000118.4
610G27.6Very low38Very low71 Ų71133.9 Ų133.973%0.73279%0.788SS**  trans170.4131.9164.400000115.5
611Y31.8Very low38.3Very low240 Ų240133.2 Ų133.294%0.94179%0.788SS**  trans-70.9150.2172.1-72.8-99.2000111.3
612G39Very low38Very low76 Ų76129.1 Ų129.178%0.78478%0.778SS**  trans-93.4135.7-164.600000116.8
613T44.1Very low38Very low143 Ų143129.1 Ų129.188%0.87777%0.772SS**  trans-144.535.6169.743.80000112.5
614A40.4Very low38Very low83 Ų83123.2 Ų123.269%0.68676%0.76SS**  trans-114.920.3-158.900000117.8
615L40.2Very low37.7Very low170 Ų170123.3 Ų123.389%0.8976%0.756SS**SBendtrans-105.2-2.5178-71.5179.3000115.6
616N42.4Very low37.6Very low119 Ų119122.8 Ų122.864%0.63676%0.759SS**SBendtrans-92.4-33.7-179.2-153.18.2000112.9S618 L619N616-S618 PolarHBondContact O-N 3.07Å; N616-L619 PolarHBondContact O-N 3.27Å
617A42.5Very low37.4Very low71 Ų71122.1 Ų122.159%0.58776%0.757SS**Hα-helixtrans-64.6-38.5-173.900000113.9L619 Q620 A621A617-L619 PolarHBondContact O-N 3.32Å; A617-Q620 PolarHBondContact O-N 2.64Å; A617-A621 PolarHBondContact O-N 3.37Å; A617-A621 VanDerWaalsContact O-N 3.13Å
618S42Very low37.5Very low95 Ų95123.9 Ų123.966%0.66476%0.756SS**Hα-helixtrans-68.6-19.8-177.3-51.60000114.1N616N616-S618 PolarHBondContact O-N 3.07Å
619L43.6Very low38Very low126 Ų126123.8 Ų123.866%0.6675%0.753SS**Hα-helixtrans-83.9-37.2175.1-173.760.8000111.3N616 A617 A622N616-L619 PolarHBondContact O-N 3.27Å; A617-L619 PolarHBondContact O-N 3.32Å; L619-A622 PolarHBondContact O-N 3.15Å
620Q47.5Very low37.6Very low143 Ų143122.1 Ų122.167%0.66874%0.744SS**Hα-helixtrans-67.9-35.5177.2-152.872.339.700112.1A617 A622A617-Q620 PolarHBondContact O-N 2.64Å; Q620-A622 PolarHBondContact O-N 3.42Å
621A43.2Very low37.8Very low78 Ų78126.6 Ų126.665%0.64575%0.75SS**THydrogen-bonded Turntrans-74.1-6.2-179.600000114.9A617A617-A621 PolarHBondContact O-N 3.37Å; A617-A621 VanDerWaalsContact O-N 3.13Å
622A39.3Very low37.5Very low78 Ų78118.6 Ų118.665%0.64574%0.741SS**THydrogen-bonded Turntrans-94.3-0.6-17800000114.2L619 Q620L619-A622 PolarHBondContact O-N 3.15Å; Q620-A622 PolarHBondContact O-N 3.42Å
623L40.3Very low36.9Very low152 Ų152121.4 Ų121.480%0.79674%0.743SS**SBendtrans-114.81.9-173.5-65177.6000114.5
624A37.3Very low37.1Very low77 Ų77120.5 Ų120.564%0.63674%0.739SS**  trans-133.6117.5174.400000109.5
625E31.4Very low36.5Very low171 Ų171120.2 Ų120.280%0.79974%0.744SS**  trans157.892159.3-92.2-64.1138.200107.9
626T29Very low36.1Very low148 Ų148119.5 Ų119.591%0.90874%0.74SS**  trans-148.755.9171.7-54.30000110.4
627S29.7Very low35.5Very low104 Ų104121.2 Ų121.273%0.72775%0.746SS**  trans-164.9102.8165.153.20000112.1
628L32.8Very low34.9Very low165 Ų165123.2 Ų123.286%0.86476%0.756SS**  trans-68.8169.8156.6-70.1172.9000109.4
629P40Very low34.2Very low111 Ų111124.7 Ų124.772%0.72177%0.766SS**  cis-152.2175.424.744.1-23.1000120.2
630L26.6Very low33.6Very low144 Ų144123.4 Ų123.475%0.75477%0.774SS**  108.1119.7126.7-148.761.2000122.7
631L30.6Very low32.8Very low165 Ų165121.9 Ų121.986%0.86479%0.786SS**  trans66.2135.3151-77.7169.1000123
632G25.8Very low32.1Very low72 Ų72121.8 Ų121.874%0.74279%0.792SS**  trans151.7101.7160.300000116.2
633T27.4Very low32.9Very low135 Ų135123.4 Ų123.483%0.82880%0.796SS**  trans-151.5170.6-179.329.90000110.9
634P47.3Very low32.5Very low124 Ų124124.8 Ų124.881%0.80580%0.801SS**  cis-139.1177.8-23.537-18.5000115.9
635G27.3Very low32.1Very low76 Ų76124.9 Ų124.978%0.78481%0.81SS**  trans86.5169.615200000118
636L32.7Very low32.1Very low156 Ų156120.5 Ų120.582%0.81781%0.811SS**  cis-165156-14.3-172.969.9000109.8
637M30.4Very low32.4Very low154 Ų154119.2 Ų119.276%0.75981%0.807SS**  trans98.1129.7148.599.7-174.773.700123.1
638S28Very low32.5Very low114 Ų114119 Ų11980%0.79781%0.805SS**  trans68.2145.5137.6-56.60000123.6
639S28.5Very low32.5Very low125 Ų125120.2 Ų120.287%0.87481%0.806SS**  trans-129.9150.5174.2-41.60000110.5
640A30.6Very low31.9Very low99 Ų99118 Ų11882%0.81880%0.804SS**  trans177.1143.3139.100000114.7
641A30.5Very low32.2Very low111 Ų111119 Ų11992%0.91781%0.808SS**  trans66.6144.1148.600000122.4
642G28.9Very low32.4Very low76 Ų76119.3 Ų119.378%0.78481%0.81SS**  trans127.195.2157.700000117.3
643P55.4Low32.6Very low112 Ų112119.9 Ų119.973%0.72782%0.816SS**  trans-112.9162.7174.139.7-31.3000114.3
644M32.3Very low32.7Very low181 Ų181117.3 Ų117.389%0.89282%0.817SS**  trans158.9153.1136-89.1-65.3109.100114.8
645G30.1Very low32Very low80 Ų80119 Ų11983%0.82582%0.819SS**  trans95.8134.4164.200000116.3
646G30.1Very low33Very low79 Ų79120.6 Ų120.681%0.81482%0.816SS**  cis178.7159-7.600000114.7
647S34.8Very low33.1Very low120 Ų120118.7 Ų118.784%0.83982%0.815SS**  trans-15159158.8-710000120.8
648C32.3Very low33.1Very low101 Ų101114.7 Ų114.768%0.68281%0.814SS**  cis-173.3167.7-2.548.10000112.5
649H32.8Very low34.2Very low189 Ų189114.9 Ų114.988%0.87581%0.812SS**  trans55.8148.2153.8-77.2-139.9000120.6
650G28.6Very low34.4Very low66 Ų66115.6 Ų115.668%0.6881%0.811SS**  cis162.8137.9-1200000115.8
651L31.2Very low34.3Very low163 Ų163114.9 Ų114.985%0.85381%0.814SS**  trans68.2151.9152.3-61.2174.6000122.6
652L35.4Very low34.2Very low172 Ų172113.1 Ų113.190%0.90181%0.806SS**  trans70.2134.5169.4-44.3-176.8000116.9
653G29.4Very low34.4Very low84 Ų84115.3 Ų115.387%0.86681%0.81SS**  cis143.5128.7-9.400000113.2
654G30.4Very low34.7Very low82 Ų82115.8 Ų115.885%0.84581%0.813SS**  trans140.5113.4168.600000116.8
655D32Very low35.6Very low160 Ų160113.3 Ų113.386%0.85681%0.81SS**  trans-79.4165.2152.2-122.6-48.9000108.7
656P48.1Very low35.7Very low109 Ų109112.5 Ų112.571%0.70880%0.802SS**  -154.1161.555.841.4-20000119.7
657S36.1Very low36Very low116 Ų116117 Ų11781%0.81181%0.806SS**  trans69.2148.2144.5-66.50000121.8
658G29.9Very low36Very low70 Ų70119 Ų11972%0.72281%0.807SS**  trans-88-153.917200000114.1
659P50.1Low36Very low118 Ų118117.8 Ų117.877%0.76681%0.811SS**  cis-145-165.520.532.9-6.6000116.9
660T33.4Very low35.9Very low139 Ų139112.7 Ų112.785%0.85381%0.811SS**  trans85.9133.115871.40000122.9
661G28.3Very low36.2Very low85 Ų85115.1 Ų115.188%0.87682%0.817SS**  99.7122.6128.700000121.1
662G29.3Very low37.5Very low73 Ų73113 Ų11375%0.75381%0.813SS**  trans145.1136.5155.700000118.4
663S31.7Very low38.6Very low123 Ų123110.4 Ų110.486%0.8681%0.807SS**  trans-179.9165.7173.3-820000111.1
664P62.8Low38.8Very low122 Ų122109.5 Ų109.579%0.79280%0.797SS**  cis-103.6-119.5-18.342.2-28.6000108.3
665P51Low39Very low128 Ų128113.2 Ų113.283%0.83180%0.797SS**  cis-104.2-169.5-15.242.7-31.8000112.4
666G32.4Very low39.1Very low64 Ų64113.2 Ų113.266%0.6680%0.796SS**  cis141.1152.1-11.100000114.7
667L35.4Very low38.2Very low172 Ų172111 Ų11190%0.90179%0.793SS**  trans72.9135.8179.3-51.6178.3000115.9
668L35.5Very low37.9Very low162 Ų162113.5 Ų113.585%0.84880%0.796SS**  cis-132174.44.8-70.3172.2000110.2
669G31.3Very low38.3Very low76 Ų76115.5 Ų115.578%0.78480%0.799SS**  cis130.2100.9-6.500000114.8
670G30.7Very low38.7Very low83 Ų83115.8 Ų115.886%0.85680%0.8SS**  trans174.9123.2173.300000114.9
671S35.8Very low39.8Very low117 Ų117114.8 Ų114.882%0.81880%0.796SS**  trans-129-163-170.6-35.50000110.8
672P59.2Low39.8Very low118 Ų118113.7 Ų113.777%0.76679%0.785SS**  cis-131.7-133.1-23.539.7-18.4000109.7
673P57.8Low39.9Very low118 Ų118116.5 Ų116.577%0.76679%0.788SS**  -113.7177.1-53.433-16.2000112.8
674G33Very low39.9Very low65 Ų65118.7 Ų118.767%0.6779%0.789SS**  cis155.5-175.4-7.500000113.6
675L35.7Very low38.1Very low160 Ų160118.5 Ų118.584%0.83879%0.791SS**  trans70.4129.2160.2-55.5172.5000118.1
676L32.7Very low36.8Very low159 Ų159118.2 Ų118.283%0.83279%0.79SS**  cis-143.4151.6-11.8-86165.5000106.9
677G29.1Very low36.8Very low63 Ų63120.4 Ų120.465%0.64980%0.796SS**  75.7130.280.100000111.9
678I30.2Very low38.3Very low169 Ų169118 Ų11887%0.86779%0.79SS**  cis-160.7148.316.236.4170000112.7
679S39.7Very low39.5Very low112 Ų112115 Ų11578%0.78378%0.78SS**  trans-128.7174.1155.2-55.20000105.7
680P58.3Low39.5Very low123 Ų123117.4 Ų117.480%0.79978%0.78SS**  cis-142.9-115.330.630.1-0.1000117.1
681P55.2Low39.7Very low118 Ų118121 Ų12177%0.76678%0.776SS**  -129.7-178.9-103.939.9-21.6000117.2
682G28.6Very low39.5Very low63 Ų63121.7 Ų121.765%0.64977%0.77SS**  130.7138.312600000121.3
683T30.9Very low38.2Very low132 Ų132123.3 Ų123.381%0.8177%0.768SS**  trans66.4118.714757.80000123.3
684L31.9Very low36.9Very low168 Ų168122.8 Ų122.888%0.8877%0.767SS**  42.7127.6129.1-51.5174.7000121.3
685S25.3Very low36.7Very low119 Ų119124.2 Ų124.283%0.83277%0.772SS**  168.1-177.8116.1-158.50000113.7
686C24.2Very low36.5Very low121 Ų121123.7 Ų123.782%0.81877%0.765SS**  trans-54.6164.3-170-55.50000120.3
687S33.3Very low36.4Very low111 Ų111123.9 Ų123.978%0.77676%0.762SS**  trans-79.4176.1158.6-7.80000112.5
688P66.3Low36.8Very low121 Ų121127.9 Ų127.979%0.78676%0.764SS**  cis-122-108.7-20.128.8-5.6000111.5
689P59.6Low37.3Very low98 Ų98126.4 Ų126.464%0.63676%0.757SS**  -129.8158.4-5633.6-14.5000117.7
690T33Very low37Very low127 Ų127128.3 Ų128.378%0.77976%0.758SS**  trans69.8164150.7-51.20000120.2
691M33.6Very low36Very low159 Ų159126.1 Ų126.178%0.78376%0.757SS**  trans98.9149.7168.8-59.1-63.3-153.400117.7
692L32.5Very low35.1Very low131 Ų131125.7 Ų125.769%0.68676%0.757SS**  cis-173.5150.2-25.9-169.476.1000111.1
693Q31.1Very low35.9Very low153 Ų153129.4 Ų129.472%0.71576%0.762SS**  trans61.6154.5157.8-111.138.54600119.8
694S31.6Very low36.3Very low107 Ų107129.3 Ų129.375%0.74876%0.756SS**  cis-133.6-15817.6-62.50000111.5
695A28.9Very low37Very low95 Ų95128.8 Ų128.879%0.78575%0.749SS**  cis-155.2-130.812.800000113.9
696H30.8Very low37.8Very low148 Ų148129.5 Ų129.569%0.68574%0.743SS**  trans-136.5170.6-173.7-125-129000108.9
697E31.1Very low38.4Very low164 Ų164129.8 Ų129.877%0.76674%0.736SS**  cis-155.9120.133.6-166.5152-123.100114.1
698E35.8Very low38.9Very low147 Ų147129.6 Ų129.669%0.68773%0.73SS**  trans55-172.2154.5-62.3-162.2-163.400119
699L42.4Very low37.5Very low137 Ų137130.7 Ų130.772%0.71773%0.73SS**  cis-150-174.817.5-118.1-175.2000114.3
700N33.4Very low36.3Very low153 Ų153128.6 Ų128.682%0.81873%0.725SS**  trans-38.2148.5-179.1-66.7-40.8000117.8
701G35.9Very low36.5Very low76 Ų76131.2 Ų131.278%0.78473%0.729SS**  cis134.7166.96.700000111.4
702S37.1Very low36.5Very low109 Ų109128.4 Ų128.476%0.76273%0.725SS**  cis-171.1176.5-10.8-162.60000110.3
703L44.9Very low36.7Very low141 Ų141127.7 Ų127.774%0.73873%0.731SS**  trans69.4148.9166.4-103.162.4000118.8
704D40.5Very low38.1Very low130 Ų130126.6 Ų126.670%0.69574%0.737SS**  cis-131.5127.55.9-84.9-78.8000109.5
705H44.8Very low38Very low157 Ų157125 Ų12573%0.72774%0.737SS**  7211875.6-176-106.2000112.3
706L43.5Very low38.1Very low135 Ų135132 Ų13271%0.70775%0.745SS**  cis-117.5-152.721.1-68157.5000112.2
707D36.8Very low38.3Very low126 Ų126129.9 Ų129.967%0.67475%0.747SS**  cis-152.3-134.91.3-157.9-92.8000113.2
708T42.5Very low39.8Very low107 Ų107127.5 Ų127.566%0.65675%0.746SS**  trans-138.4-171.8-164.668.90000111.7
709N36.6Very low40.1Very low145 Ų145126.2 Ų126.278%0.77575%0.75SS**  cis-160.6177.12-125.3-46000107.1
710G35Very low39.5Very low53 Ų53126.2 Ų126.255%0.54676%0.755SS.*  cis160.1140.2-4.500000112.6
711H37.9Very low39.2Very low182 Ų182127 Ų12784%0.84375%0.754SS**  trans65.2161.2170.1-66.7-60.8000118.4
712S33.2Very low39.2Very low101 Ų101130.9 Ų130.971%0.70675%0.753SS**  cis-163.6174.8-17.9-100.80000111.4
713S37.3Very low39.3Very low116 Ų116129.9 Ų129.981%0.81174%0.744SS**  trans-138.1-173179.4-410000110.8
714P60.5Low39.4Very low130 Ų130128.3 Ų128.384%0.84474%0.743SS**  cis-139.1178-10.842.3-25.1000116.5
715G28.2Very low38.7Very low73 Ų73128.1 Ų128.175%0.75375%0.746SS**  trans120.8127.7140.700000122.6
716Y31.7Very low37.8Very low242 Ų242129.2 Ų129.295%0.94975%0.751SS**  trans47156.6151.7-90.7-97.2000124.7
717S35Very low36.8Very low103 Ų103128 Ų12872%0.7275%0.749SS**  trans-108.8-171.7-168.11.10000114.1
718P63.3Low36.6Very low115 Ų115130.2 Ų130.275%0.74775%0.752SS**  cis-128.1-171.9-25.639.1-22.1000112.7
719P42.5Very low35.9Very low120 Ų120131.9 Ų131.978%0.77975%0.753SS**  -155.4153.411538.3-19.9000119.5
720V28.2Very low35.6Very low137 Ų137133.6 Ų133.683%0.8376%0.756SS**  trans10.3124.3141.7-173.90000121.3
721H27.6Very low36.6Very low169 Ų169135.6 Ų135.678%0.78276%0.76SS**  -165.4134.4117-153.9-20.9000113.2
722M35Very low36.3Very low157 Ų157134.1 Ų134.177%0.77376%0.757SS**  trans-143.2144.2161-128.9-74.2172.800107.7
723P40.4Very low36.5Very low88 Ų88136.1 Ų136.157%0.57176%0.76SS**  -157.7-166.711241.5-22.8000113.3
724P46.4Very low36.6Very low109 Ų109138 Ų13871%0.70876%0.758SS**  cis-108.1168.7-38.516.85.7000110.8
725V26.8Very low35.6Very low126 Ų126137.7 Ų137.776%0.76475%0.749SS**  cis99.6104.819.9176.80000115.7
726H24.8Very low36.5Very low179 Ų179141.6 Ų141.683%0.82975%0.753SS**  trans67.4160.2155-104.927000118.2
727V23.9Very low37.1Very low110 Ų110137.6 Ų137.667%0.66775%0.748SS**  cis-141.9129.28.8178.70000107.8
728K31.6Very low37Very low172 Ų172140 Ų14075%0.74875%0.753SS**  54.4145.596.4-149-155.2163.9-154.40118.1
729E28.2Very low35.5Very low142 Ų142139.8 Ų139.866%0.66475%0.753SS**  trans104.489.4155-52.6-164.9161.400121.7
730E29.5Very low36Very low181 Ų181139.1 Ų139.185%0.84675%0.748SS**  72.1175.1122-112.8-168.1101.500122
731P56.8Low36.1Very low96 Ų96141.9 Ų141.962%0.62375%0.754SS**  -129.4-175-116.444.9-28.2000116.6
732L32.3Very low36.4Very low151 Ų151139.5 Ų139.579%0.79176%0.757SS**  trans176.4122.3131.2-95.6165.9000116
733N37Very low36.4Very low142 Ų142139.6 Ų139.676%0.75976%0.76SS**  trans27.5129.9145.3-73.2-36.2000124.8
734M39.6Very low36Very low157 Ų157141.2 Ų141.277%0.77377%0.768SS**  173.1134.595.5-86.2-164.17300114.2
735D38Very low35.2Very low123 Ų123141.2 Ų141.266%0.65877%0.766SS**  trans42.6131.9148.5-49.5-147.2000120.7
736D47.6Very low35.6Very low154 Ų154141.7 Ų141.782%0.82477%0.769SS**  cis76.5148.626.3-58.1-58.9000115.9
737D44.7Very low35.8Very low159 Ų159137.8 Ų137.885%0.8577%0.768SS**  cis-92.6-144.10.3-64.6-75.7000113.4
738D33.3Very low36.2Very low154 Ų154139.1 Ų139.182%0.82477%0.772SS**  cis-158.1-178.19.1-168.913000112.2
739C31Very low36.1Very low110 Ų110139.6 Ų139.674%0.74378%0.776SS**  trans-150.3-147.6-168.1-137.90000111.7
740P53.8Low36.4Very low106 Ų106137.8 Ų137.869%0.68878%0.779SS**  cis-134153.3-25.635.4-17.3000116.8
741M29.3Very low37.1Very low194 Ų194135.4 Ų135.496%0.95678%0.779SS**  -173.4135.7111.9-104.5-168.4172.100111.2
742S33.7Very low35.9Very low120 Ų120139.3 Ų139.384%0.83979%0.789SS**  trans-131.2161.9-164.1-166.30000115.2
743L35.2Very low36Very low158 Ų158139.5 Ų139.583%0.82779%0.79SS**  trans-86.1-160.9165.2-68.4162.3000110.5
744V32.4Very low35.6Very low123 Ų123139 Ų13975%0.74579%0.788SS**  trans82.5133.2170.6-178.80000113.7
745T30.5Very low35.2Very low109 Ų109138.3 Ų138.367%0.66979%0.787SS**  cis104.9100.113.1-48.20000115.6
746T34.8Very low35Very low135 Ų135138.4 Ų138.483%0.82879%0.787SS**  trans66.8148.9153.655.90000123.8
747A29Very low34.3Very low98 Ų98140.1 Ų140.181%0.8178%0.783SS**  trans103.9161.4152.900000119.4
748N32.2Very low33.7Very low138 Ų138138.6 Ų138.674%0.73877%0.77SS**  trans-113.5160.3-162.9-47-62.2000113.5
749H29.9Very low33.9Very low181 Ų181137.9 Ų137.984%0.83877%0.766SS**  162.3168.3116.2-84.8-66.5000113.2
750S34.6Very low34.3Very low104 Ų104141.7 Ų141.773%0.72777%0.772SS**  trans-94.5179.7-167.6-44.20000114.9
751P43.9Very low33.3Very low132 Ų132145.1 Ų145.186%0.85778%0.779SS**  -135-175.3115.938.9-28.7000114.8
752E30.2Very low33.4Very low177 Ų177139.4 Ų139.483%0.82777%0.77SS**  trans-122.8-164.1-165.5-61.3175.489.700113.6
753L34.6Very low33.3Very low155 Ų155140.9 Ų140.981%0.81277%0.769SS**  trans83.7145.5167.1-47.2-177.3000117.7
754D29.6Very low33.3Very low133 Ų133141.8 Ų141.871%0.71177%0.773SS**  cis-164.6-174.3-36.3-127.5-60.1000110.3
755D31.8Very low33.5Very low142 Ų142140.6 Ų140.676%0.75977%0.771SS**  trans67.8149179.3-67.7-58.9000115.6
756D33.6Very low33.8Very low124 Ų124144.1 Ų144.166%0.66378%0.779SS**  cis-149.715017.5-135.2-31000112
757R33.4Very low33.7Very low191 Ų191144 Ų14472%0.72177%0.774SS**  trans13155.1146.7-64.5165.775.9129.69.4122
758E31.9Very low34.2Very low127 Ų127146.4 Ų146.459%0.59377%0.772SS**  cis-165.1159.96.3-118.5170.3133.100112.5
759L37.7Very low34.2Very low139 Ų139152.6 Ų152.673%0.72880%0.797SS**  trans46.2113.2148.8-61.5169.7000124.6
760E37.5Very low34.4Very low189 Ų189151.2 Ų151.288%0.88380%0.795SS**  -174.8115.1108.8-99.4-168164.700106
761E34.6Very low34.4Very low178 Ų178153.6 Ų153.683%0.83280%0.798SS**  89.198.553.6-167.5165.5-154.400114.7
762G30.1Very low33.9Very low74 Ų74154.8 Ų154.876%0.76380%0.795SS**  trans86.9161153.200000118.6
763N31.8Very low34.1Very low152 Ų152153.5 Ų153.581%0.81379%0.793SS**  cis-165.3101.9-16.1-179.619.6000109.7
764L34.6Very low34.1Very low176 Ų176153.4 Ų153.492%0.92179%0.792SS**  trans-153.5108.8172.4-76.5-177.6000112
765S38.4Very low34.4Very low99 Ų99154.8 Ų154.869%0.69280%0.797SS**  trans-149.2149.3160.5-80.50000108.6
766E36.1Very low34.6Very low182 Ų182155.7 Ų155.785%0.8580%0.8SS**  trans65144.4176.3-67.9148.387.100114.8
767D33.3Very low34.6Very low134 Ų134158.2 Ų158.272%0.71781%0.81SS**  cis-143.4-172.54.2-153.2-139000113.5
768L39.4Very low34.7Very low147 Ų147155.4 Ų155.477%0.7782%0.818SS**  trans-50.4144-173.8-79.570.6000116.6
769E31.5Very low35Very low268 Ų268158 Ų158100%1.25284%0.838SS**  -152.70105.4-150.7171102.200111.7

Retrieved 769 of 769 residues in 153.3 ms (Link to these results)