A0A087YL50_POEFO Loading...

Family with sequence similarity 149 member B1

AlphaFold DB , UniProt , Accession A0A087YL50, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 616 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
1M35.7Very low41.7Very low230 Ų230171 Ų171100%1.13382%0.823SS**  0147.90-65.3-166.1-60.300108.5
2I34.2Very low41.7Very low149 Ų149170 Ų17076%0.76482%0.815SS**  cis-149.3136-11.5-110.6162.1000109.5
3S35.7Very low41.3Very low85 Ų85169.6 Ų169.659%0.59481%0.808SS**  trans36.4114.2148.6-142.80000123.7
4R44.1Very low41.7Very low216 Ų216168.4 Ų168.482%0.81581%0.807SS**  48.2121.7122.6-54.1175.6-168.4-147.90.6120.4N6R4-N6 PolarHBondContact O-N 3.42Å
5Y45.5Very low41.8Very low237 Ų237165.7 Ų165.793%0.92979%0.793SS**  trans-66112.4153.7-73-87.4000111.3
6N43.5Very low42.1Very low143 Ų143165.4 Ų165.477%0.76580%0.795SS**  trans-89.3115.2166.9-83.5-33.3000110.4R4R4-N6 PolarHBondContact O-N 3.42Å
7R49.5Very low42Very low245 Ų245169.2 Ų169.293%0.92580%0.8SS**PPolyproline II helixtrans-81121.3163.2-73.4-177.4173.9170.8-1.7108.6
8R43.2Very low41.8Very low229 Ų229163.4 Ų163.486%0.86479%0.792SS**PPolyproline II helixtrans-74.8133.3173.9-65.7-178.4178.7-178.3-0.9109.7
9P46.3Very low41.4Very low118 Ų118163.9 Ų163.977%0.76680%0.798SS**PPolyproline II helixtrans-69.1145.5163.230.6-33.2000109.9
10V39.5Very low41.2Very low117 Ų117161.9 Ų161.971%0.70980%0.801SS**  trans-100.2112173.9178.20000108.7H12V10-H12 PolarHBondContact O-N 3.01Å
11S41.8Very low41.3Very low112 Ų112166 Ų16678%0.78381%0.808SS**  trans-80.197.9-178.9-56.70000111.7K13S11-K13 PolarHBondContact O-N 3.4Å; S11-K13 VanDerWaalsContact O-N 3.17Å
12H41.7Very low41.3Very low159 Ų159160.1 Ų160.174%0.73679%0.789SS**  trans-78.993.9169.7-80.5-86.1000111.2V10 L14V10-H12 PolarHBondContact O-N 3.01Å; H12-L14 PolarHBondContact O-N 3.01Å
13K36.6Very low41.5Very low165 Ų165158.2 Ų158.272%0.71779%0.789SS**  trans-77.2101.3169.3-170.6-166.7-171.2-167.30109.6S11 E15S11-K13 PolarHBondContact O-N 3.4Å; S11-K13 VanDerWaalsContact O-N 3.17Å; K13-E15 HydrophobicContact CD-CG 4.24Å; K13-E15 WeakPolarHBondContact CE-OE1 3.4Å; K13-E15 HydrophobicContact CG-CG 4.4Å; K13-E15 IonicContact NZ-OE1 3.83Å; K13-E15 PolarHBondContact NZ-OE1 3.08Å; K13-E15 PolarHBondContact O-N 3.06Å
14L46.6Very low41.8Very low152 Ų152161 Ų16180%0.79680%0.797SS**  trans-8699.6172-68.6176.6000110.3H12 I16H12-L14 PolarHBondContact O-N 3.01Å; L14-I16 PolarHBondContact O-N 3.26Å
15E43.3Very low42.1Very low128 Ų128157 Ų15760%0.59879%0.791SS**  trans-81.398.1167.8-72-175.6179.800110.2K13 R17K13-E15 HydrophobicContact CD-CG 4.24Å; K13-E15 WeakPolarHBondContact CE-OE1 3.4Å; K13-E15 HydrophobicContact CG-CG 4.4Å; K13-E15 IonicContact NZ-OE1 3.83Å; K13-E15 PolarHBondContact NZ-OE1 3.08Å; K13-E15 PolarHBondContact O-N 3.06Å; E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 3.12Å
16I46.5Very low42.1Very low161 Ų161155.1 Ų155.183%0.82679%0.79SS**  trans-75.188.9171.9-57.1178.1000108.5L14 G18L14-I16 PolarHBondContact O-N 3.26Å; I16-G18 PolarHBondContact O-N 3.47Å
17R41.1Very low42.1Very low231 Ų231153.7 Ų153.787%0.87278%0.779SS**  trans-88.581.4-173-166174.4-175.9168.60.9112.9E15E15-R17 VanDerWaalsContact C-N 3.34Å; E15-R17 PolarHBondContact O-N 3.12Å
18G37.4Very low41.7Very low65 Ų65148 Ų14867%0.6777%0.774SS**  trans72.1103.6154.100000117.4I16I16-G18 PolarHBondContact O-N 3.47Å
19L35.1Very low41.8Very low173 Ų173144.2 Ų144.291%0.90677%0.77SS**PPolyproline II helixtrans-84.1121153.8-67.3175.2000108.5
20S37.1Very low41.6Very low123 Ų123144 Ų14486%0.8677%0.769SS**PPolyproline II helixtrans-69.3143.2175.2-71.10000111.5
21R43.6Very low41.9Very low249 Ų249147.7 Ų147.794%0.9478%0.778SS**PPolyproline II helixtrans-82.2133.1176.3-62.4165.764.9178.31.6110.2
22S35.4Very low41.9Very low106 Ų106151.2 Ų151.274%0.74178%0.782SS**  trans-154.1113.7163.355.90000111.2
23S38.7Very low41.8Very low108 Ų108148.2 Ų148.276%0.75579%0.785SS**  trans34.7102.6160.158.80000118.4
24L41.9Very low41.9Very low144 Ų144147.5 Ų147.575%0.75479%0.789SS**  trans-131.535.8154.9-139169.8000110.4H27L24-H27 PolarHBondContact O-CE1 3.37Å
25D49Very low41.8Very low131 Ų131148.6 Ų148.670%0.70180%0.796SS**  trans-81.9161.4168.8-65.8-71.8000110.5
26H46.7Very low41.7Very low198 Ų198149.3 Ų149.392%0.91780%0.802SS**  trans73.154.1179.5-43.9-38.4000116.1
27H42.5Very low41.2Very low114 Ų114150.3 Ų150.353%0.52880%0.804SS.*  trans-123.4132.3144.250-70.1000107.3L24L24-H27 PolarHBondContact O-CE1 3.37Å
28P42.5Very low40.9Very low126 Ų126146.4 Ų146.482%0.81881%0.805SS**PPolyproline II helixtrans-66.8138.217428.6-33000109.2
29L44.3Very low40.7Very low148 Ų148147.9 Ų147.978%0.77581%0.805SS**PPolyproline II helixtrans-69.9149.1173.4-69.5168.9000110
30P42.8Very low41.2Very low115 Ų115144.9 Ų144.975%0.74780%0.796SS**PPolyproline II helixtrans-56.2145.2158.7-19.432.7000110.2E32P30-E32 PolarHBondContact O-N 2.83Å
31E45.8Very low41.5Very low193 Ų193146.6 Ų146.690%0.90279%0.79SS**PPolyproline II helixtrans-59.7130.6174.6-166.2164.5-165.800110A33E31-A33 PolarHBondContact O-N 3.31Å
32E40.3Very low41.5Very low186 Ų186144 Ų14487%0.86978%0.782SS**PPolyproline II helixtrans-69.1129.9173.7-67.9-171.214400108.4P30 D34P30-E32 PolarHBondContact O-N 2.83Å; E32-D34 PolarHBondContact O-N 2.97Å
33A41.5Very low42.1Very low97 Ų97145.1 Ų145.180%0.80278%0.779SS**  trans-76115.4179.900000109.8E31 D35E31-A33 PolarHBondContact O-N 3.31Å; A33-D35 PolarHBondContact O-N 3.34Å
34D38.5Very low42.4Very low149 Ų149146.5 Ų146.580%0.79777%0.773SS**  trans-56.3126.6173-81.3-47.9000111.1E32 I36E32-D34 PolarHBondContact O-N 2.97Å; D34-I36 HydrophobicContact CB-CG1 4.41Å; D34-I36 PolarHBondContact O-N 3.33Å
35D44.2Very low42.6Very low176 Ų176145.7 Ų145.794%0.94177%0.77SS**  trans-68.886.8173.6-88.1-44.2000110.7A33A33-D35 PolarHBondContact O-N 3.34Å
36I39.9Very low42.7Very low142 Ų142144.1 Ų144.173%0.72876%0.761SS**  trans-124.6106.4171.5-55.4-177.4000111.7D34D34-I36 HydrophobicContact CB-CG1 4.41Å; D34-I36 PolarHBondContact O-N 3.33Å
37E36.2Very low42.7Very low183 Ų183141.2 Ų141.286%0.85575%0.748SS**  trans1.8128160.6-55.3-173.3143.300119.7S39E37-S39 PolarHBondContact O-N 2.99Å
38T35.1Very low43Very low148 Ų148142.2 Ų142.291%0.90875%0.753SS**  trans-61.7124.717548.90000114
39S32.6Very low43.2Very low96 Ų96139.2 Ų139.267%0.67174%0.738SS**  trans-95.1141.3176.1-172.50000112.9E37 H41E37-S39 PolarHBondContact O-N 2.99Å; S39-H41 PolarHBondContact O-N 2.97Å
40P46.9Very low43.5Very low110 Ų110136.8 Ų136.871%0.71473%0.73SS**SBendtrans-92.548.3-152.138.1-39.8000116
41H43.3Very low43.7Very low159 Ų159135.1 Ų135.174%0.73672%0.721SS**  trans-90.6-16.3-179.8-83.5-81.3000115.8S39 L43S39-H41 PolarHBondContact O-N 2.97Å; H41-L43 VanDerWaalsContact C-N 3.29Å; H41-L43 PolarHBondContact O-N 2.87Å
42Y43.9Very low43.6Very low195 Ų195129.3 Ų129.377%0.76571%0.706SS**THydrogen-bonded Turntrans-76.6-5.6-174-163.1-106.3000115.4L46Y42-L46 HydrophobicContact CE1-CD1 4.49Å
43L47.3Very low43.8Very low130 Ų130128.1 Ų128.168%0.68170%0.7SS**THydrogen-bonded Turntrans-102.6-4.5-171.9-66.7-179.1000115.5H41H41-L43 VanDerWaalsContact C-N 3.29Å; H41-L43 PolarHBondContact O-N 2.87Å
44H45.9Very low44Very low137 Ų137130.3 Ų130.363%0.63470%0.698SS**SBendtrans-85.7-44.7179.6-155.3-83.7000112.6L46 Q47 E48H44-L46 VanDerWaalsContact C-N 3.26Å; H44-L46 PolarHBondContact O-N 3.36Å; H44-Q47 WeakPolarHBondContact O-CB 3.48Å; H44-Q47 PolarHBondContact O-N 2.94Å; H44-E48 PolarHBondContact O-N 3.43Å
45D46.3Very low43.9Very low126 Ų126133.9 Ų133.967%0.67470%0.7SS**Hα-helixtrans-60.6-33.5-176.5-63.34.2000112.9Q47 E48 A49D45-Q47 VanDerWaalsContact C-N 3.31Å; D45-Q47 PolarHBondContact O-N 3.27Å; D45-E48 PolarHBondContact O-N 3.08Å; D45-A49 WeakPolarHBondContact O-CB 3.09Å; D45-A49 PolarHBondContact O-N 3.14Å; D45-A49 VanDerWaalsContact O-N 3.14Å
46L50.4Low43.6Very low98 Ų98135.1 Ų135.151%0.51370%0.697SS.*Hα-helixtrans-66.2-30.4176.4-71.8170.8000112.9Y42 H44 V50Y42-L46 HydrophobicContact CE1-CD1 4.49Å; H44-L46 VanDerWaalsContact C-N 3.26Å; H44-L46 PolarHBondContact O-N 3.36Å; L46-V50 WeakPolarHBondContact O-CG2 3.28Å; L46-V50 PolarHBondContact O-N 3.26Å
47Q47.2Very low43.7Very low138 Ų138135.4 Ų135.465%0.64570%0.699SS**Hα-helixtrans-75.1-35.9-179.9-165.871.32700111.6H44 D45 S51H44-Q47 WeakPolarHBondContact O-CB 3.48Å; H44-Q47 PolarHBondContact O-N 2.94Å; D45-Q47 VanDerWaalsContact C-N 3.31Å; D45-Q47 PolarHBondContact O-N 3.27Å; Q47-S51 PolarHBondContact O-OG 3.38Å
48E48.3Very low43.6Very low135 Ų135132.4 Ų132.463%0.63170%0.697SS**Hα-helixtrans-76.2-39.5179.3-167.8162.6177.700111.8H44 D45 V50 S51 A52H44-E48 PolarHBondContact O-N 3.43Å; D45-E48 PolarHBondContact O-N 3.08Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 PolarHBondContact O-N 2.98Å; E48-S51 WeakPolarHBondContact O-CB 3.46Å; E48-S51 PolarHBondContact O-N 3.3Å; E48-A52 PolarHBondContact O-N 2.86Å; E48-A52 VanDerWaalsContact O-N 3.16Å
49A47.5Very low43.3Very low63 Ų63132.7 Ų132.752%0.52170%0.698SS.*Hα-helixtrans-57.8-42.3175.500000113.2D45 S51 A52D45-A49 WeakPolarHBondContact O-CB 3.09Å; D45-A49 PolarHBondContact O-N 3.14Å; D45-A49 VanDerWaalsContact O-N 3.14Å; A49-S51 VanDerWaalsContact C-N 3.27Å; A49-S51 PolarHBondContact O-N 3.3Å; A49-A52 PolarHBondContact O-N 3.49Å
50V49.5Very low43.2Very low97 Ų97138.2 Ų138.259%0.58871%0.711SS**Hα-helixtrans-65.1-31.7176.3171.30000112L46 E48L46-V50 WeakPolarHBondContact O-CG2 3.28Å; L46-V50 PolarHBondContact O-N 3.26Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 PolarHBondContact O-N 2.98Å
51S46.6Very low42.4Very low80 Ų80143.3 Ų143.356%0.55972%0.716SS**Hα-helixtrans-74.3-32.8-179.8-58.50000112.6Q47 E48 A49Q47-S51 PolarHBondContact O-OG 3.38Å; E48-S51 WeakPolarHBondContact O-CB 3.46Å; E48-S51 PolarHBondContact O-N 3.3Å; A49-S51 VanDerWaalsContact C-N 3.27Å; A49-S51 PolarHBondContact O-N 3.3Å
52A45.2Very low41.7Very low71 Ų71141.3 Ų141.359%0.58771%0.71SS**Hα-helixtrans-71-30.9179.800000113.9E48 A49 N54E48-A52 PolarHBondContact O-N 2.86Å; E48-A52 VanDerWaalsContact O-N 3.16Å; A49-A52 PolarHBondContact O-N 3.49Å; A52-N54 PolarHBondContact O-N 2.91Å
53H44.3Very low40.9Very low160 Ų160138.1 Ų138.174%0.74172%0.717SS**Hα-helixtrans-70.2-33-170.9-161.870.3000113.7R55H53-R55 VanDerWaalsContact C-N 3.26Å; H53-R55 PolarHBondContact O-N 2.82Å
54N44.4Very low40.2Very low144 Ų144142 Ų14277%0.7773%0.728SS**THydrogen-bonded Turntrans-74.7-1.9-175.5-84.8-63.7000115.5A52A52-N54 PolarHBondContact O-N 2.91Å
55R37.4Very low39.4Very low224 Ų224141.2 Ų141.285%0.84574%0.738SS**THydrogen-bonded Turntrans-103.92.6-170.8-169.9164.7171.8-175.9-3.3115.5H53H53-R55 VanDerWaalsContact C-N 3.26Å; H53-R55 PolarHBondContact O-N 2.82Å
56K36.9Very low38.5Very low201 Ų201144.1 Ų144.187%0.87475%0.747SS**SBendtrans-126.928-174.9-70.5-170.7177.5179.60115.9
57I42.8Very low37.3Very low149 Ų149144.6 Ų144.676%0.76476%0.759SS**SBendtrans-107.1142159.3-60.5178.5000107.3
58C33.2Very low36.4Very low120 Ų120143.3 Ų143.381%0.81177%0.765SS**  trans79.785.1-175.1-590000117.9
59T29.7Very low35.3Very low153 Ų153142.6 Ų142.694%0.93978%0.775SS**  -160.6118.9124.420.30000110.8
60F31.2Very low34.7Very low213 Ų213146.3 Ų146.393%0.93479%0.792SS**  trans-120.2119.9175-139.6-82.7000107.2
61R28.6Very low33.9Very low217 Ų217146.9 Ų146.982%0.81980%0.8SS**  trans-179.1132.5151.4-106.8-170.4121.7151.85.7115.7
62D29.8Very low33.2Very low116 Ų116151 Ų15162%0.6281%0.814SS**  trans32.8114.4138.2-47.5-20.1000121
63S26.1Very low32.7Very low129 Ų129152.5 Ų152.590%0.90282%0.82SS**  -173.4162.7113.533.40000112.5
64K32.3Very low32.3Very low211 Ų211153.4 Ų153.492%0.91782%0.824SS**  trans-104.5143.6-171.5-60.7174.2178.91770113
65S30.1Very low31.6Very low120 Ų120151.1 Ų151.184%0.83982%0.82SS**  trans-159.7159.1143.459.50000111.8
66Q27.9Very low31.7Very low187 Ų187152.1 Ų152.187%0.87482%0.824SS**  trans-73.7168.9170.3-62.7149.2-42.600109.3
67S25.2Very low31.8Very low108 Ų108147.5 Ų147.576%0.75582%0.817SS**  cis-164.9161.833.751.90000114.2
68S26.9Very low31.2Very low112 Ų112143 Ų14378%0.78381%0.807SS**  trans-25137.8166.654.50000120.4
69S25.5Very low31.2Very low120 Ų120144.9 Ų144.984%0.83981%0.808SS**  -162164110.770.90000111.9
70T35.8Very low31.4Very low141 Ų141145.5 Ų145.587%0.86580%0.8SS**  trans-104.2115.9-178.246.90000112.7
71S33.1Very low31.6Very low108 Ų108140.1 Ų140.176%0.75579%0.788SS**  trans-171.9125.4146.452.30000111.6
72I31.7Very low32.1Very low167 Ų167134.8 Ų134.886%0.85678%0.784SS**  trans-138.7108.3157.8-60.1-173.6000107.7
73S33.2Very low32.7Very low102 Ų102135.4 Ų135.471%0.71379%0.793SS**  trans-65.3138.8167.8-53.50000109.8S75S73-S75 VanDerWaalsContact C-N 3.29Å; S73-S75 PolarHBondContact O-N 3.49Å
74Q35.7Very low33.8Very low179 Ų179132.8 Ų132.884%0.83679%0.786SS**  trans-76.481175.4-65.8-175.87.200110.3W76Q74-W76 PolarHBondContact O-N 3.38Å
75S29.8Very low34.3Very low96 Ų96128.7 Ų128.767%0.67178%0.779SS**  trans-70.9120.5174.8-68.50000111.3S73 S77S73-S75 VanDerWaalsContact C-N 3.29Å; S73-S75 PolarHBondContact O-N 3.49Å; S75-S77 VanDerWaalsContact C-N 3.29Å; S75-S77 PolarHBondContact O-N 3.39Å
76W39.6Very low34.9Very low245 Ų245125.6 Ų125.693%0.92877%0.765SS**SBendtrans-76.873.2178-77.359.4000111.6Q74Q74-W76 PolarHBondContact O-N 3.38Å
77S39.6Very low35.8Very low104 Ų104125.3 Ų125.373%0.72777%0.768SS**  trans-155.381.9178.159.60000112.2S75S75-S77 VanDerWaalsContact C-N 3.29Å; S75-S77 PolarHBondContact O-N 3.39Å
78G30.5Very low36.6Very low55 Ų55125.3 Ų125.357%0.56777%0.768SS**  trans-175.779.7-179.300000113.6H80G78-H80 PolarHBondContact O-CD2 3.3Å; G78-H80 PolarHBondContact O-N 2.85Å
79I33.8Very low37.8Very low159 Ų159125.5 Ų125.582%0.81577%0.765SS**  trans-73.994170.8-55.9176.5000108S81I79-S81 VanDerWaalsContact C-N 3.28Å; I79-S81 PolarHBondContact O-N 3.37Å
80H33.3Very low39Very low167 Ų167127.7 Ų127.777%0.77376%0.761SS**  trans-77.379.1174.8-73.7-79.7000110.5G78 S82G78-H80 PolarHBondContact O-CD2 3.3Å; G78-H80 PolarHBondContact O-N 2.85Å; H80-S82 PolarHBondContact O-N 3.39Å
81S35.4Very low39.8Very low99 Ų99133.1 Ų133.169%0.69277%0.766SS**  trans-68.268.7173.7-60.60000111.9I79 T83I79-S81 VanDerWaalsContact C-N 3.28Å; I79-S81 PolarHBondContact O-N 3.37Å; S81-T83 PolarHBondContact O-N 3.19Å
82S38Very low40.4Very low105 Ų105133 Ų13373%0.73477%0.765SS**  trans-7746-176.5-63.50000113.8H80 G84H80-S82 PolarHBondContact O-N 3.39Å; S82-G84 PolarHBondContact O-N 3.1Å
83T42.5Very low41.2Very low130 Ų130129.2 Ų129.280%0.79875%0.754SS**  trans-8051.7172.3-45.60000110.7S81 T85S81-T83 PolarHBondContact O-N 3.19Å; T83-T85 VanDerWaalsContact C-N 3.33Å; T83-T85 PolarHBondContact O-N 3.02Å
84G50.6Low42Very low74 Ų74131 Ų13176%0.76376%0.76SS**  trans-92.237.3-178.500000113.7S82S82-G84 PolarHBondContact O-N 3.1Å
85T42.7Very low42.6Very low125 Ų125130.2 Ų130.277%0.76775%0.754SS**  trans-91.2106.4-178.9-47.90000110.1T83T83-T85 VanDerWaalsContact C-N 3.33Å; T83-T85 PolarHBondContact O-N 3.02Å
86G42.6Very low43.8Very low54 Ų54130.5 Ų130.556%0.55776%0.756SS**  trans-63.7160.517600000113.4S88G86-S88 PolarHBondContact O-N 2.87Å; G86-S88 PolarHBondContact O-OG 3.49Å
87I47.1Very low44.3Very low181 Ų181128.6 Ų128.693%0.92875%0.749SS**  trans-46.391.7179.945.4163.5000114.1
88S42.1Very low45.2Very low108 Ų108127.1 Ų127.176%0.75575%0.75SS**  trans-111.9115.1166.4-59.50000108G86G86-S88 PolarHBondContact O-N 2.87Å; G86-S88 PolarHBondContact O-OG 3.49Å
89T51.7Low46.5Very low117 Ų117133.7 Ų133.772%0.71876%0.759SS**  trans-71.4171.7178.142.50000111.7
90E49.5Very low48.4Very low165 Ų165130.1 Ų130.177%0.77174%0.742SS**SBendtrans75.282.4164.7-63.1141.2-92.600118.3
91R53.9Low50.8Low255 Ų255129.4 Ų129.496%0.96274%0.739SS**  trans70.442.9138.8-63178.8156.2-175.1-6.1118.6
92S45.6Very low53.2Low106 Ų106132.1 Ų132.174%0.74174%0.739SS**  trans-92.2130.8162.4-160.90000113.1V94S92-V94 PolarHBondContact O-N 2.95Å
93S47.9Very low55.7Low87 Ų87132 Ų13261%0.60873%0.73SS**  trans-3.790.517359.20000119.9F95S93-F95 VanDerWaalsContact C-N 3.27Å; S93-F95 PolarHBondContact O-N 3.3Å
94V51Low57.9Low140 Ų140130.2 Ų130.285%0.84871%0.711SS**THydrogen-bonded Turntrans-80.673.8159.2-174.40000109.6S92S92-V94 PolarHBondContact O-N 2.95Å
95F48.1Very low59.7Low163 Ų163129 Ų12972%0.71569%0.694SS**THydrogen-bonded Turntrans-172.738.3156.8-110.5-61.6000113.9S93 W97S93-F95 VanDerWaalsContact C-N 3.27Å; S93-F95 PolarHBondContact O-N 3.3Å; F95-W97 HydrophobicContact CD1-CZ2 4.47Å; F95-W97 AromaticContact CD1-NE1 3.54Å; F95-W97 HydrophobicContact CE1-CZ2 4.03Å; F95-W97 AromaticContact CE1-NE1 3.96Å; F95-W97 PolarHBondContact O-N 2.99Å
96S54.4Low62Low101 Ų101124.7 Ų124.771%0.70667%0.67SS**  trans-72106.7167.1-62.50000109.6G98S96-G98 PolarHBondContact O-N 2.67Å; S96-G98 VanDerWaalsContact O-N 3.13Å
97W49.8Very low64.4Low205 Ų205125.7 Ų125.778%0.77767%0.669SS**  trans-70.2106.2173.3-73.680000109.1F95 Y99F95-W97 HydrophobicContact CD1-CZ2 4.47Å; F95-W97 AromaticContact CD1-NE1 3.54Å; F95-W97 HydrophobicContact CE1-CZ2 4.03Å; F95-W97 AromaticContact CE1-NE1 3.96Å; F95-W97 PolarHBondContact O-N 2.99Å; W97-Y99 PolarHBondContact O-N 2.92Å
98G59.5Low66.4Low74 Ų74124.8 Ų124.876%0.76365%0.654SS**THydrogen-bonded Turntrans-72.654.1-17300000115.1S96S96-G98 PolarHBondContact O-N 2.67Å; S96-G98 VanDerWaalsContact O-N 3.13Å
99Y56.3Low68.7Low192 Ų192124 Ų12475%0.75364%0.638SS**THydrogen-bonded Turntrans-122.2-5.1174-97.2-86.7000113.2W97 E101W97-Y99 PolarHBondContact O-N 2.92Å; Y99-E101 VanDerWaalsContact C-N 3.28Å; Y99-E101 PolarHBondContact O-N 3.37Å
100D74.9Confident70.6Confident85 Ų85122 Ų12246%0.45563%0.626SS.*Hα-helixtrans-75.4-10.9-175.977.35.2000114.3K104D100-K104 VanDerWaalsContact O-CB 3.23Å; D100-K104 WeakPolarHBondContact O-CB 3.29Å; D100-K104 VanDerWaalsContact O-CD 3.25Å; D100-K104 WeakPolarHBondContact O-CD 3.35Å; D100-K104 WeakPolarHBondContact O-CG 3.32Å; D100-K104 PolarHBondContact O-N 3.41Å; D100-K104 WeakPolarHBondContact OD1-CE 3.11Å; D100-K104 IonicContact OD1-NZ 3.39Å; D100-K104 PolarHBondContact OD1-NZ 3.37Å; D100-K104 VanDerWaalsContact OD2-CE 3.24Å; D100-K104 WeakPolarHBondContact OD2-CE 3.4Å; D100-K104 IonicContact OD2-NZ 3.04Å; D100-K104 PolarHBondContact OD2-NZ 3.03Å
101E82.6Confident72.5Confident151 Ų151119.1 Ų119.171%0.70661%0.613SS**Hα-helixtrans-70.3-42.2178.8-177.4164.2-141.100112.7Y99 K104 A105Y99-E101 VanDerWaalsContact C-N 3.28Å; Y99-E101 PolarHBondContact O-N 3.37Å; E101-K104 PolarHBondContact O-N 3.44Å; E101-A105 WeakPolarHBondContact O-CB 3.43Å; E101-A105 PolarHBondContact O-N 2.89Å
102F86.4Confident74.1Confident156 Ų156111.8 Ų111.868%0.68459%0.589SS**Hα-helixtrans-64.6-46.6174.8-178.2-93.1000110.8K104 A105 A106F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 3.19Å; F102-A105 WeakPolarHBondContact O-CB 3.25Å; F102-A105 PolarHBondContact O-N 3.28Å; F102-A105 VanDerWaalsContact O-N 3.08Å; F102-A106 WeakPolarHBondContact O-CB 3.37Å; F102-A106 PolarHBondContact O-N 3.43Å
103D90.9Very high76.1Confident102 Ų102109.4 Ų109.455%0.54557%0.567SS.*Hα-helixtrans-63-36.6177.3-74.3-1.6000111.9S107D103-S107 WeakPolarHBondContact O-CB 3.28Å; D103-S107 PolarHBondContact O-N 2.91Å; D103-S107 PolarHBondContact O-OG 3.02Å
104K89.2Confident78Confident94 Ų94110.8 Ų110.841%0.40956%0.562SS.*Hα-helixtrans-65.1-41.2170.8-76.6161.9-170.1164.10112.1D100 E101 F102 S107 R108D100-K104 VanDerWaalsContact O-CB 3.23Å; D100-K104 WeakPolarHBondContact O-CB 3.29Å; D100-K104 VanDerWaalsContact O-CD 3.25Å; D100-K104 WeakPolarHBondContact O-CD 3.35Å; D100-K104 WeakPolarHBondContact O-CG 3.32Å; D100-K104 PolarHBondContact O-N 3.41Å; D100-K104 WeakPolarHBondContact OD1-CE 3.11Å; D100-K104 IonicContact OD1-NZ 3.39Å; D100-K104 PolarHBondContact OD1-NZ 3.37Å; D100-K104 VanDerWaalsContact OD2-CE 3.24Å; D100-K104 WeakPolarHBondContact OD2-CE 3.4Å; D100-K104 IonicContact OD2-NZ 3.04Å; D100-K104 PolarHBondContact OD2-NZ 3.03Å; E101-K104 PolarHBondContact O-N 3.44Å; F102-K104 VanDerWaalsContact C-N 3.31Å; F102-K104 PolarHBondContact O-N 3.19Å; K104-S107 PolarHBondContact O-N 3.03Å; K104-R108 WeakPolarHBondContact O-CB 3.24Å; K104-R108 VanDerWaalsContact O-CG 3.22Å; K104-R108 WeakPolarHBondContact O-CG 3.41Å; K104-R108 PolarHBondContact O-N 2.82Å
105A87.8Confident79.6Confident48 Ų48107.3 Ų107.340%0.39754%0.539SS..Hα-helixtrans-65.8-47.7178.400000111.2E101 F102 S107 R108 Q109E101-A105 WeakPolarHBondContact O-CB 3.43Å; E101-A105 PolarHBondContact O-N 2.89Å; F102-A105 WeakPolarHBondContact O-CB 3.25Å; F102-A105 PolarHBondContact O-N 3.28Å; F102-A105 VanDerWaalsContact O-N 3.08Å; A105-S107 PolarHBondContact O-N 3.26Å; A105-R108 PolarHBondContact O-N 2.77Å; A105-Q109 PolarHBondContact O-N 2.97Å
106A89.8Confident81.4Confident34 Ų34100.8 Ų100.828%0.28151%0.51SS..Hα-helixtrans-60.9-42.6173.900000111.9F102 R108 Q109 V110F102-A106 WeakPolarHBondContact O-CB 3.37Å; F102-A106 PolarHBondContact O-N 3.43Å; A106-R108 PolarHBondContact O-N 3.41Å; A106-Q109 PolarHBondContact O-N 3.48Å; A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.47Å
107S93.6Very high82.8Confident76 Ų7697.2 Ų97.253%0.53148%0.483SS..Hα-helixtrans-62.9-38.9176.2-61.30000112.5D103 K104 A105 Q111D103-S107 WeakPolarHBondContact O-CB 3.28Å; D103-S107 PolarHBondContact O-N 2.91Å; D103-S107 PolarHBondContact O-OG 3.02Å; K104-S107 PolarHBondContact O-N 3.03Å; A105-S107 PolarHBondContact O-N 3.26Å; S107-Q111 WeakPolarHBondContact O-CB 3.18Å; S107-Q111 PolarHBondContact O-N 2.86Å
108R90.4Very high84.4Confident161 Ų16191.2 Ų91.261%0.60847%0.466SS*.Hα-helixtrans-64.8-43.2173.5-72.7165.8-172.51601.6111.5K104 A105 A106 Q111 Q112K104-R108 WeakPolarHBondContact O-CB 3.24Å; K104-R108 VanDerWaalsContact O-CG 3.22Å; K104-R108 WeakPolarHBondContact O-CG 3.41Å; K104-R108 PolarHBondContact O-N 2.82Å; A105-R108 PolarHBondContact O-N 2.77Å; A106-R108 PolarHBondContact O-N 3.41Å; R108-Q111 PolarHBondContact O-N 3.3Å; R108-Q112 WeakPolarHBondContact O-CB 3.4Å; R108-Q112 VanDerWaalsContact O-CG 3.27Å; R108-Q112 WeakPolarHBondContact O-CG 3.5Å; R108-Q112 PolarHBondContact O-N 2.9Å
109Q89.4Confident85.4Confident92 Ų9292.2 Ų92.243%0.4345%0.45SS..Hα-helixtrans-61.9-45.2177.3-174.9-178.510.100111.3A105 A106 Q112 M113A105-Q109 PolarHBondContact O-N 2.97Å; A106-Q109 PolarHBondContact O-N 3.48Å; Q109-Q112 PolarHBondContact O-N 3.1Å; Q109-M113 WeakPolarHBondContact O-CG 3.34Å; Q109-M113 PolarHBondContact O-N 2.91Å
110V91Very high86.6Confident74 Ų7484.8 Ų84.845%0.44842%0.422SS..Hα-helixtrans-64.3-40.5176.4170.70000111.4A106 M113 F114A106-V110 WeakPolarHBondContact O-CG2 3.45Å; A106-V110 PolarHBondContact O-N 3.47Å; V110-M113 PolarHBondContact O-N 2.85Å; V110-F114 HydrophobicContact CG1-CD2 3.91Å; V110-F114 HydrophobicContact CG1-CE2 3.52Å; V110-F114 VanDerWaalsContact O-CD2 3.22Å; V110-F114 WeakPolarHBondContact O-CD2 3.5Å; V110-F114 PolarHBondContact O-N 3.49Å; V110-F114 VanDerWaalsContact O-N 3.09Å
111Q89.8Confident86.7Confident106 Ų10681.2 Ų81.250%0.49540%0.403SS..Hα-helixtrans-62.6-44.6173.5-172.862.556.900111.5S107 R108 M113 F114 D115S107-Q111 WeakPolarHBondContact O-CB 3.18Å; S107-Q111 PolarHBondContact O-N 2.86Å; R108-Q111 PolarHBondContact O-N 3.3Å; Q111-M113 VanDerWaalsContact C-N 3.29Å; Q111-M113 PolarHBondContact O-N 3.41Å; Q111-F114 PolarHBondContact O-N 2.88Å; Q111-F114 VanDerWaalsContact O-N 3.14Å; Q111-D115 PolarHBondContact NE2-OD1 2.91Å; Q111-D115 WeakPolarHBondContact O-CB 3.41Å; Q111-D115 PolarHBondContact O-N 3.28Å
112Q88.1Confident86.4Confident100 Ų10076.6 Ų76.647%0.46738%0.379SS..Hα-helixtrans-60.1-37.8176.2-73.9169-23.100112.2R108 Q109 D115 E116 I131R108-Q112 WeakPolarHBondContact O-CB 3.4Å; R108-Q112 VanDerWaalsContact O-CG 3.27Å; R108-Q112 WeakPolarHBondContact O-CG 3.5Å; R108-Q112 PolarHBondContact O-N 2.9Å; Q109-Q112 PolarHBondContact O-N 3.1Å; Q112-D115 PolarHBondContact O-N 3.43Å; Q112-E116 VanDerWaalsContact O-CB 3.3Å; Q112-E116 WeakPolarHBondContact O-CB 3.4Å; Q112-E116 PolarHBondContact O-N 3.35Å; Q112-I131 HydrophobicContact CB-CD1 3.72Å; Q112-I131 HydrophobicContact CG-CD1 4.43Å
113M87.1Confident85.6Confident57 Ų5775.9 Ų75.928%0.28138%0.378SS..Hα-helixtrans-64.3-41.7173.8-71.8171.357.400112.4Q109 V110 Q111 E116 I117 L132Q109-M113 WeakPolarHBondContact O-CG 3.34Å; Q109-M113 PolarHBondContact O-N 2.91Å; V110-M113 PolarHBondContact O-N 2.85Å; Q111-M113 VanDerWaalsContact C-N 3.29Å; Q111-M113 PolarHBondContact O-N 3.41Å; M113-E116 PolarHBondContact O-N 2.95Å; M113-I117 VanDerWaalsContact O-CG1 3.28Å; M113-I117 WeakPolarHBondContact O-CG1 3.26Å; M113-I117 PolarHBondContact O-N 3.46Å; M113-L132 HydrophobicContact CE-CD1 3.63Å; M113-L132 HydrophobicContact CG-CD1 4.15Å; M113-L132 HydrophobicContact SD-CD1 3.88Å
114F87.3Confident84.2Confident116 Ų11673.5 Ų73.551%0.50938%0.378SS..Hα-helixtrans-66.1-43.8173.4-73-58.2000111.9V110 Q111 E116 I117 D118V110-F114 HydrophobicContact CG1-CD2 3.91Å; V110-F114 HydrophobicContact CG1-CE2 3.52Å; V110-F114 VanDerWaalsContact O-CD2 3.22Å; V110-F114 WeakPolarHBondContact O-CD2 3.5Å; V110-F114 PolarHBondContact O-N 3.49Å; V110-F114 VanDerWaalsContact O-N 3.09Å; Q111-F114 PolarHBondContact O-N 2.88Å; Q111-F114 VanDerWaalsContact O-N 3.14Å; F114-E116 PolarHBondContact O-N 3.27Å; F114-I117 HydrophobicContact CD1-CD1 4.32Å; F114-I117 PolarHBondContact O-N 2.92Å; F114-D118 PolarHBondContact O-N 3.22Å
115D84.9Confident82.9Confident67 Ų6778.3 Ų78.336%0.35839%0.393SS..Hα-helixtrans-61.5-24.5175.1-63.4-4.8000112.2Q111 Q112 K119Q111-D115 PolarHBondContact NE2-OD1 2.91Å; Q111-D115 WeakPolarHBondContact O-CB 3.41Å; Q111-D115 PolarHBondContact O-N 3.28Å; Q112-D115 PolarHBondContact O-N 3.43Å; D115-K119 VanDerWaalsContact O-CG 3.25Å; D115-K119 WeakPolarHBondContact O-CG 3.42Å; D115-K119 PolarHBondContact O-NZ 2.79Å
116E85.6Confident81.6Confident25 Ų2577.9 Ų77.912%0.11739%0.394CS..Hα-helixtrans-82.9-45.9176.1-171.2170.5130.800111.5Q112 M113 F114 D118 K119 E120 G130 I131 L135Q112-E116 VanDerWaalsContact O-CB 3.3Å; Q112-E116 WeakPolarHBondContact O-CB 3.4Å; Q112-E116 PolarHBondContact O-N 3.35Å; M113-E116 PolarHBondContact O-N 2.95Å; F114-E116 PolarHBondContact O-N 3.27Å; E116-D118 VanDerWaalsContact C-N 3.31Å; E116-D118 PolarHBondContact O-N 2.87Å; E116-K119 PolarHBondContact O-N 2.77Å; E116-E120 PolarHBondContact O-N 3.15Å; E116-G130 VanDerWaalsContact CD-CA 3.42Å; E116-G130 WeakPolarHBondContact OE1-CA 3.4Å; E116-G130 WeakPolarHBondContact OE2-CA 3.46Å; E116-I131 PolarHBondContact OE1-N 2.91Å; E116-I131 VanDerWaalsContact OE1-N 3.11Å; E116-I131 PolarHBondContact OE2-N 3.26Å; E116-L135 HydrophobicContact CB-CD2 4.37Å; E116-L135 HydrophobicContact CG-CD2 4.17Å
117I84.9Confident79.7Confident26 Ų2680.7 Ų80.713%0.13341%0.41CS..Hα-helixtrans-53.7-48.2172.1-71.2164000110.7M113 F114 K119 E120 L121 L135 W142M113-I117 VanDerWaalsContact O-CG1 3.28Å; M113-I117 WeakPolarHBondContact O-CG1 3.26Å; M113-I117 PolarHBondContact O-N 3.46Å; F114-I117 HydrophobicContact CD1-CD1 4.32Å; F114-I117 PolarHBondContact O-N 2.92Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 2.85Å; I117-E120 PolarHBondContact O-N 3.38Å; I117-L121 HydrophobicContact CG2-CD1 3.56Å; I117-L121 HydrophobicContact CG2-CG 4.16Å; I117-L121 WeakPolarHBondContact O-CB 3.23Å; I117-L121 VanDerWaalsContact O-CG 3.31Å; I117-L121 WeakPolarHBondContact O-CG 3.3Å; I117-L121 PolarHBondContact O-N 3.01Å; I117-L135 HydrophobicContact CD1-CD1 4.19Å; I117-L135 HydrophobicContact CG1-CD1 3.83Å; I117-L135 HydrophobicContact CG1-CD2 4.06Å; I117-L135 HydrophobicContact CG1-CG 4.21Å; I117-W142 HydrophobicContact CG2-CZ3 4.39Å
118D82.9Confident77.9Confident79 Ų7980.4 Ų80.442%0.42242%0.419SS..Hα-helixtrans-64.7-34.2-178.1-77.4-5.2000112F114 E116 Y122F114-D118 PolarHBondContact O-N 3.22Å; E116-D118 VanDerWaalsContact C-N 3.31Å; E116-D118 PolarHBondContact O-N 2.87Å; D118-Y122 HydrophobicContact CB-CD2 3.93Å; D118-Y122 HydrophobicContact CB-CE2 4.17Å; D118-Y122 VanDerWaalsContact O-CB 3.28Å; D118-Y122 WeakPolarHBondContact O-CB 3.43Å; D118-Y122 WeakPolarHBondContact O-CD2 3.3Å; D118-Y122 PolarHBondContact O-N 2.88Å; D118-Y122 WeakPolarHBondContact OD1-CE2 3.49Å
119K80.8Confident76.3Confident95 Ų9576.2 Ų76.241%0.41343%0.426SS..Iπ-helixtrans-70-45.1175.8-71.7177.8-165.7860112.3D115 E116 I117 E123 G124D115-K119 VanDerWaalsContact O-CG 3.25Å; D115-K119 WeakPolarHBondContact O-CG 3.42Å; D115-K119 PolarHBondContact O-NZ 2.79Å; E116-K119 PolarHBondContact O-N 2.77Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 2.85Å; K119-E123 WeakPolarHBondContact O-CA 3.22Å; K119-E123 WeakPolarHBondContact O-CB 3.39Å; K119-E123 PolarHBondContact O-N 2.8Å; K119-E123 VanDerWaalsContact O-N 3.09Å; K119-G124 PolarHBondContact O-N 2.8Å
120E80.5Confident75Confident37 Ų3773.5 Ų73.517%0.17342%0.423CS..Iπ-helixtrans-64.7-45.8177.7-68.6-67.3174.900111.4E116 I117 G126 Q136 C139E116-E120 PolarHBondContact O-N 3.15Å; I117-E120 PolarHBondContact O-N 3.38Å; E120-G126 VanDerWaalsContact OE1-CA 3.25Å; E120-G126 WeakPolarHBondContact OE1-CA 3.2Å; E120-G126 VanDerWaalsContact OE2-CA 3.24Å; E120-G126 WeakPolarHBondContact OE2-CA 3.31Å; E120-Q136 PolarHBondContact OE1-NE2 3.37Å; E120-C139 HydrophobicContact CB-CB 3.86Å
121L78.3Confident73.6Confident9 Ų974 Ų745%0.04742%0.422CS..Iπ-helixtrans-74.1-42-177.6-65.6-178.7000114I117 C139 W142 T143 L149 R150I117-L121 HydrophobicContact CG2-CD1 3.56Å; I117-L121 HydrophobicContact CG2-CG 4.16Å; I117-L121 WeakPolarHBondContact O-CB 3.23Å; I117-L121 VanDerWaalsContact O-CG 3.31Å; I117-L121 WeakPolarHBondContact O-CG 3.3Å; I117-L121 PolarHBondContact O-N 3.01Å; L121-C139 HydrophobicContact CD2-CB 3.9Å; L121-C139 HydrophobicContact CG-CB 4.41Å; L121-W142 HydrophobicContact CD1-CE3 4.3Å; L121-W142 HydrophobicContact CD2-CB 4.43Å; L121-T143 WeakPolarHBondContact CD2-OG1 3.48Å; L121-L149 HydrophobicContact CD1-CD2 3.84Å; L121-L149 HydrophobicContact CD1-CG 4.4Å; L121-L149 HydrophobicContact CD2-CD2 4.1Å; L121-R150 VanDerWaalsContact O-CD 3.25Å; L121-R150 WeakPolarHBondContact O-CD 3.44Å; L121-R150 VanDerWaalsContact O-CG 3.31Å; L121-R150 WeakPolarHBondContact O-CG 3.43Å; L121-R150 PolarHBondContact O-NE 3.31Å
122Y74.9Confident72.5Confident54 Ų5472.6 Ų72.621%0.21242%0.417CS..Iπ-helixtrans-99.2-55.4-173.8-56.1-62.3000112.6D118 G124 L149 R150 I151 V152D118-Y122 HydrophobicContact CB-CD2 3.93Å; D118-Y122 HydrophobicContact CB-CE2 4.17Å; D118-Y122 VanDerWaalsContact O-CB 3.28Å; D118-Y122 WeakPolarHBondContact O-CB 3.43Å; D118-Y122 WeakPolarHBondContact O-CD2 3.3Å; D118-Y122 PolarHBondContact O-N 2.88Å; D118-Y122 WeakPolarHBondContact OD1-CE2 3.49Å; Y122-G124 VanDerWaalsContact C-N 3.33Å; Y122-G124 PolarHBondContact O-N 3.33Å; Y122-L149 WeakPolarHBondContact CE1-O 3.41Å; Y122-R150 HydrophobicContact CD1-CG 4.38Å; Y122-R150 PolarHBondContact O-NE 3.37Å; Y122-R150 VanDerWaalsContact O-NE 3.11Å; Y122-R150 PolarHBondContact O-NH2 2.92Å; Y122-I151 HydrophobicContact CE1-CB 4.49Å; Y122-V152 HydrophobicContact CD1-CB 3.96Å; Y122-V152 HydrophobicContact CD1-CG2 4.33Å; Y122-V152 HydrophobicContact CE1-CG2 4.5Å; Y122-V152 HydrophobicContact CG-CB 4.17Å
123E70.8Confident71.5Confident141 Ų14176.9 Ų76.966%0.65944%0.437SS*.Iπ-helixtrans-71.4-28.3-175.7-56.9-170.1168.700112.4K119 R125K119-E123 WeakPolarHBondContact O-CA 3.22Å; K119-E123 WeakPolarHBondContact O-CB 3.39Å; K119-E123 PolarHBondContact O-N 2.8Å; K119-E123 VanDerWaalsContact O-N 3.09Å; E123-R125 PolarHBondContact O-N 3.19Å
124G61.2Low70.8Confident53 Ų5376.4 Ų76.455%0.54645%0.448SS..  trans66.117.617300000114K119 Y122K119-G124 PolarHBondContact O-N 2.8Å; Y122-G124 VanDerWaalsContact C-N 3.33Å; Y122-G124 PolarHBondContact O-N 3.33Å
125R62.7Low70.5Confident194 Ų19471.7 Ų71.773%0.73243%0.427SS*.  trans-109.882.3173179.2176.8-80.4-87-0.8108.1E123 C127E123-R125 PolarHBondContact O-N 3.19Å; R125-C127 PolarHBondContact O-N 3.03Å
126G58.8Low70.3Confident39 Ų3972 Ų7240%0.40243%0.427SS..  trans-6680.8171.300000111.6E120 G128E120-G126 VanDerWaalsContact OE1-CA 3.25Å; E120-G126 WeakPolarHBondContact OE1-CA 3.2Å; E120-G126 VanDerWaalsContact OE2-CA 3.24Å; E120-G126 WeakPolarHBondContact OE2-CA 3.31Å; G126-G128 VanDerWaalsContact C-N 3.29Å; G126-G128 PolarHBondContact O-N 3.27Å
127C50.3Low70.2Confident94 Ų9476 Ų7664%0.63545%0.449SS*.  trans-6991.9164.8-81.20000107.4R125 G129R125-C127 PolarHBondContact O-N 3.03Å; C127-G129 PolarHBondContact O-N 3.45Å
128G55.4Low70.3Confident69 Ų6979.1 Ų79.171%0.71146%0.463SS*.SBendtrans-63.858.4-17200000116.2G126G126-G128 VanDerWaalsContact C-N 3.29Å; G126-G128 PolarHBondContact O-N 3.27Å
129G57.9Low70.3Confident73 Ų7375.5 Ų75.575%0.75344%0.444SS*.  trans-138.335.2168.900000109.9C127C127-G129 PolarHBondContact O-N 3.45Å
130G60.9Low70.3Confident35 Ų3576.6 Ų76.636%0.36145%0.45SS..  trans-65.5158.4172.300000112.1E116 L132E116-G130 VanDerWaalsContact CD-CA 3.42Å; E116-G130 WeakPolarHBondContact OE1-CA 3.4Å; E116-G130 WeakPolarHBondContact OE2-CA 3.46Å; G130-L132 PolarHBondContact O-N 3.27Å
131I61.6Low70.5Confident86 Ų8679.2 Ų79.244%0.44146%0.463SS..SBendtrans-68.7-26.5-174.9-61.4174.5000111.1Q112 E116Q112-I131 HydrophobicContact CB-CD1 3.72Å; Q112-I131 HydrophobicContact CG-CD1 4.43Å; E116-I131 PolarHBondContact OE1-N 2.91Å; E116-I131 VanDerWaalsContact OE1-N 3.11Å; E116-I131 PolarHBondContact OE2-N 3.26Å
132L66.9Low70.9Confident75 Ų7582.8 Ų82.839%0.39348%0.475SS..  trans-128.4107.6-177.5-68.3174000111.3M113 G130 G134 L135M113-L132 HydrophobicContact CE-CD1 3.63Å; M113-L132 HydrophobicContact CG-CD1 4.15Å; M113-L132 HydrophobicContact SD-CD1 3.88Å; G130-L132 PolarHBondContact O-N 3.27Å; L132-G134 PolarHBondContact O-N 3.3Å; L132-L135 HydrophobicContact CB-CB 3.91Å; L132-L135 HydrophobicContact CB-CD2 4.49Å; L132-L135 VanDerWaalsContact O-CB 3.25Å; L132-L135 WeakPolarHBondContact O-CB 3.36Å; L132-L135 PolarHBondContact O-N 2.71Å
133Q67.9Low71.1Confident190 Ų19082.5 Ų82.589%0.88848%0.479SS*.THydrogen-bonded Turntrans-58.5-24.1-173.9-165.9169.917.500114.9
134G72.4Confident71.5Confident48 Ų4880.1 Ų80.150%0.49548%0.475SS..THydrogen-bonded Turntrans-88.4-10.7174.700000115.4L132 D137 E138L132-G134 PolarHBondContact O-N 3.3Å; G134-D137 PolarHBondContact O-N 2.72Å; G134-E138 PolarHBondContact O-N 3.07Å; G134-E138 VanDerWaalsContact O-N 3.11Å
135L80.6Confident72.5Confident16 Ų1685.3 Ų85.38%0.08448%0.478CS..Hα-helixtrans-70.7-34.9-176.2-173.659000111.8E116 I117 L132 E138 C139E116-L135 HydrophobicContact CB-CD2 4.37Å; E116-L135 HydrophobicContact CG-CD2 4.17Å; I117-L135 HydrophobicContact CD1-CD1 4.19Å; I117-L135 HydrophobicContact CG1-CD1 3.83Å; I117-L135 HydrophobicContact CG1-CD2 4.06Å; I117-L135 HydrophobicContact CG1-CG 4.21Å; L132-L135 HydrophobicContact CB-CB 3.91Å; L132-L135 HydrophobicContact CB-CD2 4.49Å; L132-L135 VanDerWaalsContact O-CB 3.25Å; L132-L135 WeakPolarHBondContact O-CB 3.36Å; L132-L135 PolarHBondContact O-N 2.71Å; L135-E138 PolarHBondContact O-N 2.87Å; L135-C139 WeakPolarHBondContact O-CB 3.01Å; L135-C139 PolarHBondContact O-N 3.45Å; L135-C139 PolarHBondContact O-SG 3.13Å
136Q80.8Confident73.2Confident74 Ų7480.5 Ų80.535%0.34646%0.463SS..Hα-helixtrans-64.6-43.9174.2-175169.180.400111.6E120 E138 C139 Q140E120-Q136 PolarHBondContact OE1-NE2 3.37Å; Q136-E138 VanDerWaalsContact C-N 3.33Å; Q136-E138 PolarHBondContact O-N 3.01Å; Q136-C139 PolarHBondContact O-N 3.41Å; Q136-Q140 WeakPolarHBondContact O-CB 3.38Å; Q136-Q140 PolarHBondContact O-N 2.84Å
137D83.4Confident73.8Confident109 Ų10983.3 Ų83.358%0.58347%0.473SS*.Hα-helixtrans-63.6-36.6175.5-76.2-26.1000112.4G134 Q141G134-D137 PolarHBondContact O-N 2.72Å; D137-Q141 WeakPolarHBondContact O-CG 3.33Å; D137-Q141 PolarHBondContact O-N 3.3Å; D137-Q141 PolarHBondContact O-NE2 3.06Å
138E87.1Confident74.7Confident92 Ų9285.6 Ų85.643%0.4347%0.474SS..Hα-helixtrans-71.2-45175-179.3155.9-142.700111.9G134 L135 Q136 Q140 Q141 W142G134-E138 PolarHBondContact O-N 3.07Å; G134-E138 VanDerWaalsContact O-N 3.11Å; L135-E138 PolarHBondContact O-N 2.87Å; Q136-E138 VanDerWaalsContact C-N 3.33Å; Q136-E138 PolarHBondContact O-N 3.01Å; E138-Q140 VanDerWaalsContact C-N 3.29Å; E138-Q140 PolarHBondContact O-N 2.86Å; E138-Q141 CarbonylContact O-C 3.58Å; E138-Q141 WeakPolarHBondContact O-CB 3.4Å; E138-Q141 PolarHBondContact O-N 3.13Å; E138-Q141 VanDerWaalsContact O-N 3.1Å; E138-W142 VanDerWaalsContact CD-CZ2 3.41Å; E138-W142 HydrophobicContact CG-CD2 4.08Å; E138-W142 HydrophobicContact CG-CG 4.46Å; E138-W142 HydrophobicContact CG-CH2 4.32Å; E138-W142 HydrophobicContact CG-CZ2 3.54Å; E138-W142 VanDerWaalsContact CG-NE1 3.3Å; E138-W142 PolarHBondContact O-N 3.03Å; E138-W142 WeakPolarHBondContact OE1-CZ2 3.41Å; E138-W142 PolarHBondContact OE1-NE1 3.41Å
139C83.5Confident75.4Confident2 Ų284.9 Ų84.91%0.01445%0.454CS..Hα-helixtrans-61.7-35.6175.2-68.80000112.2E120 L121 L135 Q136 W142 T143E120-C139 HydrophobicContact CB-CB 3.86Å; L121-C139 HydrophobicContact CD2-CB 3.9Å; L121-C139 HydrophobicContact CG-CB 4.41Å; L135-C139 WeakPolarHBondContact O-CB 3.01Å; L135-C139 PolarHBondContact O-N 3.45Å; L135-C139 PolarHBondContact O-SG 3.13Å; Q136-C139 PolarHBondContact O-N 3.41Å; C139-W142 PolarHBondContact O-N 3.13Å; C139-T143 WeakPolarHBondContact O-CB 3.4Å; C139-T143 PolarHBondContact O-N 3.12Å; C139-T143 PolarHBondContact O-OG1 3.12Å
140Q80.5Confident75.7Confident118 Ų11884.7 Ų84.755%0.55143%0.431SS*.Hα-helixtrans-68.5-38.3173.6-177.162.17.600112Q136 E138 T144Q136-Q140 WeakPolarHBondContact O-CB 3.38Å; Q136-Q140 PolarHBondContact O-N 2.84Å; E138-Q140 VanDerWaalsContact C-N 3.29Å; E138-Q140 PolarHBondContact O-N 2.86Å; Q140-T144 WeakPolarHBondContact O-CB 3.09Å; Q140-T144 WeakPolarHBondContact O-CG2 3.17Å; Q140-T144 PolarHBondContact O-N 2.99Å; Q140-T144 PolarHBondContact O-OG1 2.75Å
141Q85.8Confident75.6Confident93 Ų9389.7 Ų89.744%0.43545%0.448SS..Hα-helixtrans-66.8-36.4171.6-79.8-177.577.100113D137 E138 T144 R145D137-Q141 WeakPolarHBondContact O-CG 3.33Å; D137-Q141 PolarHBondContact O-N 3.3Å; D137-Q141 PolarHBondContact O-NE2 3.06Å; E138-Q141 CarbonylContact O-C 3.58Å; E138-Q141 WeakPolarHBondContact O-CB 3.4Å; E138-Q141 PolarHBondContact O-N 3.13Å; E138-Q141 VanDerWaalsContact O-N 3.1Å; Q141-T144 WeakPolarHBondContact CA-OG1 3.27Å; Q141-T144 PolarHBondContact O-OG1 3.45Å; Q141-R145 WeakPolarHBondContact O-CB 3.36Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.45Å
142W86.2Confident75.3Confident83 Ų8390.7 Ų90.731%0.31446%0.458SS..Hα-helixtrans-69.5-44175.2-65.9-2.8000111.1I117 L121 E138 C139 T144 R145 F146 L149I117-W142 HydrophobicContact CG2-CZ3 4.39Å; L121-W142 HydrophobicContact CD1-CE3 4.3Å; L121-W142 HydrophobicContact CD2-CB 4.43Å; E138-W142 VanDerWaalsContact CD-CZ2 3.41Å; E138-W142 HydrophobicContact CG-CD2 4.08Å; E138-W142 HydrophobicContact CG-CG 4.46Å; E138-W142 HydrophobicContact CG-CH2 4.32Å; E138-W142 HydrophobicContact CG-CZ2 3.54Å; E138-W142 VanDerWaalsContact CG-NE1 3.3Å; E138-W142 PolarHBondContact O-N 3.03Å; E138-W142 WeakPolarHBondContact OE1-CZ2 3.41Å; E138-W142 PolarHBondContact OE1-NE1 3.41Å; C139-W142 PolarHBondContact O-N 3.13Å; W142-T144 VanDerWaalsContact C-N 3.3Å; W142-T144 PolarHBondContact O-N 3.46Å; W142-R145 PolarHBondContact O-N 2.85Å; W142-F146 HydrophobicContact CB-CD2 4.49Å; W142-F146 WeakPolarHBondContact O-CA 3.44Å; W142-F146 WeakPolarHBondContact O-CB 3.32Å; W142-F146 PolarHBondContact O-N 3.29Å; W142-L149 HydrophobicContact CB-CD2 3.99Å
143T78.8Confident74.8Confident48 Ų4888.6 Ų88.629%0.29445%0.454SS..Hα-helixtrans-59.8-39176.6-60.40000112L121 C139L121-T143 WeakPolarHBondContact CD2-OG1 3.48Å; C139-T143 WeakPolarHBondContact O-CB 3.4Å; C139-T143 PolarHBondContact O-N 3.12Å; C139-T143 PolarHBondContact O-OG1 3.12Å
144T79.1Confident74.2Confident92 Ų9284.7 Ų84.756%0.56444%0.443SS*.Hα-helixtrans-78.8-33.2178.249.40000114Q140 Q141 W142Q140-T144 WeakPolarHBondContact O-CB 3.09Å; Q140-T144 WeakPolarHBondContact O-CG2 3.17Å; Q140-T144 PolarHBondContact O-N 2.99Å; Q140-T144 PolarHBondContact O-OG1 2.75Å; Q141-T144 WeakPolarHBondContact CA-OG1 3.27Å; Q141-T144 PolarHBondContact O-OG1 3.45Å; W142-T144 VanDerWaalsContact C-N 3.3Å; W142-T144 PolarHBondContact O-N 3.46Å
145R82.3Confident73.4Confident161 Ų16187.2 Ų87.261%0.60844%0.442SS*.Hα-helixtrans-81.7-29.7175.6-74.6-171.9174.7106.6-0.8114.1Q141 W142Q141-R145 WeakPolarHBondContact O-CB 3.36Å; Q141-R145 WeakPolarHBondContact O-CG 3.37Å; Q141-R145 PolarHBondContact O-N 3.45Å; W142-R145 PolarHBondContact O-N 2.85Å
146F78Confident72.3Confident94 Ų9493.4 Ų93.441%0.41248%0.475SS..  trans-128.673.3-173.4-53.3-72.4000111.5W142 H148 L149W142-F146 HydrophobicContact CB-CD2 4.49Å; W142-F146 WeakPolarHBondContact O-CA 3.44Å; W142-F146 WeakPolarHBondContact O-CB 3.32Å; W142-F146 PolarHBondContact O-N 3.29Å; F146-H148 AromaticContact CD1-CE1 3.9Å; F146-H148 AromaticContact CD1-NE2 3.93Å; F146-H148 PolarHBondContact O-N 3.02Å; F146-L149 HydrophobicContact CB-CB 4.09Å; F146-L149 WeakPolarHBondContact O-CB 3.44Å; F146-L149 PolarHBondContact O-N 2.82Å
147P70.3Confident71.1Confident97 Ų9796.7 Ų96.763%0.6349%0.494SS*.THydrogen-bonded Turntrans-59-16.9-179-26.135.6000115.2
148H70.3Confident69.7Low142 Ų14296.5 Ų96.566%0.65750%0.5SS*.THydrogen-bonded Turntrans-84.5-917654.6-100.2000114F146 R150F146-H148 AromaticContact CD1-CE1 3.9Å; F146-H148 AromaticContact CD1-NE2 3.93Å; F146-H148 PolarHBondContact O-N 3.02Å; H148-R150 PolarHBondContact O-N 3.36Å
149L69.8Low68.5Low55 Ų5594.1 Ų94.129%0.28849%0.493SS..SBendtrans-66.8-29179.4-16667.3000111.5L121 Y122 W142 F146 I151L121-L149 HydrophobicContact CD1-CD2 3.84Å; L121-L149 HydrophobicContact CD1-CG 4.4Å; L121-L149 HydrophobicContact CD2-CD2 4.1Å; Y122-L149 WeakPolarHBondContact CE1-O 3.41Å; W142-L149 HydrophobicContact CB-CD2 3.99Å; F146-L149 HydrophobicContact CB-CB 4.09Å; F146-L149 WeakPolarHBondContact O-CB 3.44Å; F146-L149 PolarHBondContact O-N 2.82Å; L149-I151 VanDerWaalsContact C-N 3.28Å; L149-I151 PolarHBondContact O-N 2.92Å
150R64.4Low67.3Low68 Ų68100.6 Ų100.626%0.25753%0.532SS..  trans-80.465.6-177.4-168.2166.9-172.5-120.10.8112.7L121 Y122 H148 V152 T154L121-R150 VanDerWaalsContact O-CD 3.25Å; L121-R150 WeakPolarHBondContact O-CD 3.44Å; L121-R150 VanDerWaalsContact O-CG 3.31Å; L121-R150 WeakPolarHBondContact O-CG 3.43Å; L121-R150 PolarHBondContact O-NE 3.31Å; Y122-R150 HydrophobicContact CD1-CG 4.38Å; Y122-R150 PolarHBondContact O-NE 3.37Å; Y122-R150 VanDerWaalsContact O-NE 3.11Å; Y122-R150 PolarHBondContact O-NH2 2.92Å; H148-R150 PolarHBondContact O-N 3.36Å; R150-V152 VanDerWaalsContact C-N 3.3Å; R150-V152 PolarHBondContact O-N 3.38Å; R150-T154 PolarHBondContact NH1-O 3.23Å; R150-T154 PolarHBondContact NH1-OG1 2.94Å
151I57.4Low66.6Low140 Ų140100.4 Ų100.472%0.71854%0.535SS*.THydrogen-bonded Turntrans-65.1-30.2-179.7-61.7174.5000112.5Y122 L149Y122-I151 HydrophobicContact CE1-CB 4.49Å; L149-I151 VanDerWaalsContact C-N 3.28Å; L149-I151 PolarHBondContact O-N 2.92Å
152V55Low65.3Low108 Ų108106 Ų10666%0.65556%0.561SS**THydrogen-bonded Turntrans-113.449.4-178.2-160.30000111.7Y122 R150Y122-V152 HydrophobicContact CD1-CB 3.96Å; Y122-V152 HydrophobicContact CD1-CG2 4.33Å; Y122-V152 HydrophobicContact CE1-CG2 4.5Å; Y122-V152 HydrophobicContact CG-CB 4.17Å; R150-V152 VanDerWaalsContact C-N 3.3Å; R150-V152 PolarHBondContact O-N 3.38Å
153G57Low63.6Low31 Ų31105.6 Ų105.632%0.3258%0.583SS.*SBendtrans-139.7174.1178.900000114.2Q155G153-Q155 PolarHBondContact O-N 3.4Å; G153-Q155 VanDerWaalsContact O-N 3.13Å
154T56.3Low62.4Low107 Ų107110 Ų11066%0.65660%0.599SS**  trans-58.9115.5173.540.90000110.5R150 L156R150-T154 PolarHBondContact NH1-O 3.23Å; R150-T154 PolarHBondContact NH1-OG1 2.94Å; T154-L156 PolarHBondContact O-N 3.41Å
155Q55.8Low61.2Low102 Ų102112.2 Ų112.248%0.47760%0.602SS.*  trans-64118.9-177.9178.2179.769.300110.8G153 L157G153-Q155 PolarHBondContact O-N 3.4Å; G153-Q155 VanDerWaalsContact O-N 3.13Å; Q155-L157 WeakPolarHBondContact CG-O 3.48Å; Q155-L157 PolarHBondContact NE2-O 2.9Å
156L56.9Low59.6Low145 Ų145113.1 Ų113.176%0.75961%0.606SS**SBendtrans-84-19.6-177.7-57.6179.3000113.6T154T154-L156 PolarHBondContact O-N 3.41Å
157L54.4Low58Low144 Ų144116.7 Ų116.775%0.75462%0.618SS**SBendtrans-136123.5179.7-65.5173.8000109.4Q155Q155-L157 WeakPolarHBondContact CG-O 3.48Å; Q155-L157 PolarHBondContact NE2-O 2.9Å
158C54.9Low56.5Low104 Ų104116.7 Ų116.770%0.70363%0.626SS**  trans-60.3146.7174.5-66.70000110.7T160C158-T160 PolarHBondContact O-N 2.95Å
159P62.6Low54.9Low43 Ų43115.9 Ų115.928%0.27963%0.631SS.*  trans-68.9120.7173.8-7.624.2000109D161 F164 W166P159-D161 VanDerWaalsContact C-N 3.32Å; P159-F164 HydrophobicContact CB-CB 4.13Å; P159-F164 HydrophobicContact CB-CD2 3.93Å; P159-F164 HydrophobicContact CB-CG 4.06Å; P159-F164 HydrophobicContact CG-CB 4.31Å; P159-F164 HydrophobicContact CG-CG 4.45Å; P159-W166 HydrophobicContact CG-CZ2 3.94Å
160T58.1Low53.6Low138 Ų138118.9 Ų118.985%0.84765%0.654SS**  trans-86-7.6176.8-37.50000112.3C158C158-T160 PolarHBondContact O-N 2.95Å
161D65.8Low52.3Low114 Ų114118.5 Ų118.561%0.6167%0.671SS**SBendtrans-79.8134.4-172.8-59.6-35.6000112.6P159 G163 F164P159-D161 VanDerWaalsContact C-N 3.32Å; D161-G163 PolarHBondContact O-N 3.18Å; D161-F164 HydrophobicContact CB-CD2 3.94Å; D161-F164 HydrophobicContact CB-CE2 3.84Å
162E56.9Low51.3Low209 Ų209118.3 Ų118.398%0.97768%0.677SS**THydrogen-bonded Turntrans-6898.2175.6-66.5-170.8170.100111.1
163G52.5Low50.2Low76 Ų76118.8 Ų118.878%0.78468%0.68SS**THydrogen-bonded Turntrans159.1-19.6176.600000115D161D161-G163 PolarHBondContact O-N 3.18Å
164F51.9Low48.9Very low141 Ų141122.5 Ų122.562%0.61870%0.701SS**  trans-86.6123.1-179.2-66.2-84.4000112.4P159 D161P159-F164 HydrophobicContact CB-CB 4.13Å; P159-F164 HydrophobicContact CB-CD2 3.93Å; P159-F164 HydrophobicContact CB-CG 4.06Å; P159-F164 HydrophobicContact CG-CB 4.31Å; P159-F164 HydrophobicContact CG-CG 4.45Å; D161-F164 HydrophobicContact CB-CD2 3.94Å; D161-F164 HydrophobicContact CB-CE2 3.84Å
165Q53.7Low48Very low138 Ų138125 Ų12565%0.64571%0.709SS**  trans-115.2124.6172.6-176.3179.66.800110.3Y167Q165-Y167 HydrophobicContact CB-CE2 4.05Å; Q165-Y167 HydrophobicContact CG-CD2 4.49Å; Q165-Y167 HydrophobicContact CG-CE2 3.92Å; Q165-Y167 WeakPolarHBondContact O-CD2 3.31Å; Q165-Y167 PolarHBondContact O-N 2.87Å; Q165-Y167 PolarHBondContact OE1-OH 3.42Å
166W49.3Very low47Very low179 Ų179124.3 Ų124.368%0.67872%0.721SS**  trans-76.7115.9175.8-72.797.5000111.6P159P159-W166 HydrophobicContact CG-CZ2 3.94Å
167Y44Very low45.7Very low169 Ų169122.8 Ų122.866%0.66372%0.722SS**  trans-94.9105.3165.8-69.8-92.1000108.4Q165 T169Q165-Y167 HydrophobicContact CB-CE2 4.05Å; Q165-Y167 HydrophobicContact CG-CD2 4.49Å; Q165-Y167 HydrophobicContact CG-CE2 3.92Å; Q165-Y167 WeakPolarHBondContact O-CD2 3.31Å; Q165-Y167 PolarHBondContact O-N 2.87Å; Q165-Y167 PolarHBondContact OE1-OH 3.42Å; Y167-T169 PolarHBondContact O-N 2.88Å
168A39.9Very low44.5Very low98 Ų98121.1 Ų121.181%0.8172%0.723SS**  trans-73.292.8172.600000109.4P170A168-P170 WeakPolarHBondContact O-CD 3.47Å
169T36.7Very low43.5Very low124 Ų124122 Ų12276%0.76173%0.727SS**  trans-55123.9166.7-53.10000108.4Y167 G171Y167-T169 PolarHBondContact O-N 2.88Å; T169-G171 PolarHBondContact O-N 3.03Å
170P42.3Very low42Very low119 Ų119125.5 Ų125.577%0.77375%0.752SS**  trans-64.699.7176.1-21.434000109.5A168 T172A168-P170 WeakPolarHBondContact O-CD 3.47Å; P170-T172 PolarHBondContact O-N 3.07Å
171G36Very low40.8Very low59 Ų59125.5 Ų125.561%0.60875%0.753SS**  trans-63128.2177.600000110.1T169 V173T169-G171 PolarHBondContact O-N 3.03Å; G171-V173 VanDerWaalsContact C-N 3.3Å; G171-V173 PolarHBondContact O-N 3.25Å
172T36.6Very low38.9Very low137 Ų137127.3 Ų127.384%0.8476%0.762SS**  trans-63.891.9173.2-52.40000109.1P170 S174P170-T172 PolarHBondContact O-N 3.07Å; T172-S174 PolarHBondContact O-N 3.42Å
173V32.9Very low37.8Very low118 Ų118128.8 Ų128.872%0.71576%0.759SS**  trans-68.1100.8177.3-810000109.8G171 L175G171-V173 VanDerWaalsContact C-N 3.3Å; G171-V173 PolarHBondContact O-N 3.25Å; V173-L175 HydrophobicContact CG2-CD1 4.45Å; V173-L175 PolarHBondContact O-N 3.13Å
174S29.4Very low36.9Very low109 Ų109133.6 Ų133.676%0.76276%0.758SS**  trans-63.7101.6166.4-64.40000109.3T172 A176T172-S174 PolarHBondContact O-N 3.42Å; S174-A176 VanDerWaalsContact C-N 3.33Å; S174-A176 PolarHBondContact O-N 2.78Å
175L37.1Very low35.8Very low160 Ų160133.7 Ų133.784%0.83877%0.77SS**  trans-6889.5173.7-83.294.4000110.1V173V173-L175 HydrophobicContact CG2-CD1 4.45Å; V173-L175 PolarHBondContact O-N 3.13Å
176A35Very low34.7Very low86 Ų86133 Ų13371%0.71178%0.776SS**  trans-140.436.1-177.900000113.8S174S174-A176 VanDerWaalsContact C-N 3.33Å; S174-A176 PolarHBondContact O-N 2.78Å
177S30.7Very low33.8Very low114 Ų114131.1 Ų131.180%0.79778%0.784SS**  trans-17284.6162.942.10000112.9
178S29.1Very low33.1Very low109 Ų109132.6 Ų132.676%0.76279%0.794SS**  trans-112.3108.7162.4-64.10000109S180S178-S180 PolarHBondContact O-N 3.11Å
179P33.2Very low32.6Very low123 Ų123134.1 Ų134.180%0.79980%0.798SS**  trans-70.2126.5178.128.2-32.9000110.2
180S30.4Very low32.2Very low115 Ų115137.6 Ų137.680%0.80481%0.806SS**  trans-89.3112.1-176.757.10000112.3S178S178-S180 PolarHBondContact O-N 3.11Å
181T32.7Very low31.5Very low139 Ų139135.6 Ų135.685%0.85381%0.807SS**  trans-147.479.9167.918.30000111.8
182D27Very low31.2Very low151 Ų151141.8 Ų141.881%0.80782%0.817SS**  trans-88.8109.7156.4-179.88.9000109.4K184D182-K184 PolarHBondContact OD1-N 2.93Å
183R34.3Very low31Very low240 Ų240142.5 Ų142.591%0.90681%0.811SS**  trans-151.677.2152.3-140.4171.6-179.2173.9-0.4114.1T185R183-T185 PolarHBondContact O-N 3.33Å
184K33.3Very low31.1Very low178 Ų178145.6 Ų145.677%0.77482%0.815SS**  trans-26.3118.3161.2176.6-174.5-179.3177.90116.8D182D182-K184 PolarHBondContact OD1-N 2.93Å
185T28.4Very low30.9Very low142 Ų142144.2 Ų144.287%0.87182%0.818SS**  trans-143.3149.5146.547.30000110.8R183R183-T185 PolarHBondContact O-N 3.33Å
186T30Very low30.6Very low123 Ų123141.8 Ų141.876%0.75582%0.821SS**  trans-118.9124.6-169.9-52.60000111.9
187V30Very low30.7Very low141 Ų141142.1 Ų142.186%0.85582%0.824SS**  trans-146.4147.8157.4175.60000109.3
188K29.7Very low30.8Very low200 Ų200143.9 Ų143.987%0.8782%0.824SS**  trans-101.4144.4169.9-66.7175.9179.6179.60110.7
189S29.5Very low30.8Very low129 Ų129144.5 Ų144.590%0.90282%0.824SS**  trans-153.7167.815159.40000111.2
190Q28Very low30.9Very low197 Ų197148.4 Ų148.492%0.92183%0.828SS**  trans-134.9128.2-159163.9-171.9-21.600109.5
191G27.9Very low30.9Very low77 Ų77151.4 Ų151.479%0.79483%0.829SS**  trans-175.772.5-17400000118
192K30.5Very low30.9Very low189 Ų189153.3 Ų153.382%0.82283%0.833SS**  trans22.9117.2144.9-157.1174-173.5-175.30120.7
193E32.1Very low31Very low152 Ų152149.4 Ų149.471%0.7183%0.828SS**  trans25.6137.5130.4-97.4-163.812600120.5
194K34.8Very low30.8Very low183 Ų183147.6 Ų147.680%0.79683%0.827SS**  cis-148.9173.513.5-66.3-178.1170.3173.90110
195G25.9Very low30.9Very low80 Ų80148.4 Ų148.483%0.82583%0.83SS**  trans157.57.5143.500000124.4
196A30.1Very low30.9Very low109 Ų109146.7 Ų146.790%0.90182%0.82SS**  trans-156.7145.2167.500000110.5
197A36.8Very low30.9Very low94 Ų94146.2 Ų146.278%0.77782%0.817SS**  trans-123.8108-175.800000111.5
198D32.8Very low30.7Very low151 Ų151150 Ų15081%0.80782%0.817SS**  trans-145.6108.1159.9-102.7-39.5000107.6
199T30.2Very low30.5Very low122 Ų122149.9 Ų149.975%0.74882%0.817SS**  trans-137.197.6-17650.80000111.2E201T199-E201 PolarHBondContact O-N 3.36Å; T199-E201 VanDerWaalsContact O-N 3.15Å
200F34.8Very low30.4Very low204 Ų204153.4 Ų153.490%0.89582%0.816SS**  trans-80.481.8170-75.2-88.2000110.9
201E31.1Very low30.4Very low178 Ų178148.7 Ų148.783%0.83281%0.811SS**  trans-104.686.1172.6-72.9-159.1164.600112.7T199T199-E201 PolarHBondContact O-N 3.36Å; T199-E201 VanDerWaalsContact O-N 3.15Å
202I32.2Very low30.7Very low179 Ų179149.4 Ų149.492%0.91881%0.809SS**  trans-131.9128.5162.4-60.3-178.9000108
203G28.5Very low30.6Very low70 Ų70147.8 Ų147.872%0.72281%0.808SS**  cis-154.3172.33.300000114
204K31.3Very low30.5Very low201 Ų201147 Ų14787%0.87481%0.808SS**  trans-75.2134.1-168.4-68.6172.1-179.5170.30112.8V206K204-V206 PolarHBondContact O-N 3.05Å; K204-V206 VanDerWaalsContact O-N 3.08Å
205K34.7Very low30.2Very low195 Ų195148.5 Ų148.585%0.84881%0.814SS**  trans-62.4102.4167.1178.2-179179.3176.30110.5
206V27.3Very low30.4Very low107 Ų107152.6 Ų152.665%0.64881%0.812SS**  trans-96.4115.2171.5179.10000109.6K204 Y208K204-V206 PolarHBondContact O-N 3.05Å; K204-V206 VanDerWaalsContact O-N 3.08Å; V206-Y208 PolarHBondContact O-N 2.79Å
207T30.5Very low30.4Very low113 Ų113153.4 Ų153.469%0.69381%0.81SS**  trans-80.3109.2172.627.70000110.6K209T207-K209 PolarHBondContact O-N 2.86Å; T207-K209 VanDerWaalsContact O-N 3.12Å
208Y26.2Very low30.1Very low219 Ų219157.1 Ų157.186%0.85982%0.816SS**  trans-66.6109.2173.7-81.9-86.2000111.3V206V206-Y208 PolarHBondContact O-N 2.79Å
209K25.8Very low30.1Very low199 Ų199153 Ų15387%0.86581%0.81SS**  trans-76.5121.4160.9-69.1-175.2177.9-177.60108.2T207 A211T207-K209 PolarHBondContact O-N 2.86Å; T207-K209 VanDerWaalsContact O-N 3.12Å; K209-A211 PolarHBondContact O-N 3.33Å; K209-A211 VanDerWaalsContact O-N 3.08Å
210K27.6Very low30.6Very low202 Ų202153.5 Ų153.588%0.87882%0.816SS**  trans-64.3108.3172.8-177.5177.4-179.2178.20109.1A212K210-A212 PolarHBondContact O-N 2.79Å
211A28Very low30.8Very low98 Ų98149.5 Ų149.581%0.8181%0.81SS**  trans-69.4101.6171.400000109.1K209K209-A211 PolarHBondContact O-N 3.33Å; K209-A211 VanDerWaalsContact O-N 3.08Å
212A33.5Very low30.8Very low92 Ų92148.6 Ų148.676%0.7681%0.811SS**  trans-80.4124.8164.700000108.3K210K210-A212 PolarHBondContact O-N 2.79Å
213L29.1Very low30.9Very low155 Ų155145 Ų14581%0.81280%0.801SS**  trans-127.4101.1168.8-163.374.3000110
214I30.7Very low31.3Very low136 Ų136150.3 Ų150.370%0.69781%0.807SS**  trans49.8104.4148.4-51.3170.4000116.1E216I214-E216 HydrophobicContact CG2-CB 4.15Å
215K28.4Very low31.6Very low215 Ų215146.2 Ų146.294%0.93580%0.801SS**  trans-121.1113.3134.9-155.3177.4-173.3-175.30107.5
216E28.3Very low31.5Very low165 Ų165141.5 Ų141.577%0.77179%0.793SS**  trans-87.8127.7-173.6179.8175.7-152.900110.4I214I214-E216 HydrophobicContact CG2-CB 4.15Å
217C30.4Very low32Very low126 Ų126142 Ų14285%0.85180%0.801SS**  trans-174.5138.8161.3-96.40000108.9
218D30.9Very low32.2Very low172 Ų172146.1 Ų146.192%0.9281%0.805SS**  trans-80.1150.1-169.6-58.3-83.4000115.5
219G33.4Very low32.5Very low66 Ų66143.5 Ų143.568%0.6881%0.806SS**  trans178.1136.2169.700000112.1
220P39.8Very low32.9Very low132 Ų132141.9 Ų141.986%0.85780%0.802SS**  trans-75.8154.2-175.130.6-35.2000113.3
221P40.2Very low33.4Very low119 Ų119138.1 Ų138.177%0.77380%0.798SS**  trans-87.1149.5-168.434.6-36.5000114.2
222N31.1Very low33.9Very low160 Ų160144.7 Ų144.786%0.85680%0.802SS**  trans-157.1135.7153.5-98.6-43.3000112.6
223S34.1Very low34.1Very low103 Ų103146.9 Ų146.972%0.7281%0.806SS**  trans44.7103.8156.460.60000121.4
224E36.6Very low34.8Very low181 Ų181146.7 Ų146.785%0.84680%0.804SS**  trans53.7145.6136.1-68-61.5106.700122.8
225P37.5Very low35.3Very low115 Ų115149.3 Ų149.375%0.74781%0.813SS**  trans-89.7118.8-173.434.8-32.3000113.6
226S31.6Very low36.4Very low96 Ų96145.6 Ų145.667%0.67181%0.808SS**  trans-96.6121166.6-165.90000111Y228S226-Y228 PolarHBondContact O-N 3.38Å; S226-Y228 WeakPolarHBondContact OG-CD2 3.21Å; S226-Y228 VanDerWaalsContact OG-CE2 3.28Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.37Å
227S38.4Very low37.3Very low117 Ų117146.8 Ų146.882%0.81881%0.813SS**  trans-84.992.8-177.358.20000112.1
228Y35.8Very low38.1Very low200 Ų200144.4 Ų144.478%0.78481%0.81SS**  trans-122.7101.7167-73-72.4000110.5S226 Q230S226-Y228 PolarHBondContact O-N 3.38Å; S226-Y228 WeakPolarHBondContact OG-CD2 3.21Å; S226-Y228 VanDerWaalsContact OG-CE2 3.28Å; S226-Y228 WeakPolarHBondContact OG-CE2 3.37Å; Y228-Q230 PolarHBondContact O-N 2.83Å
229D32.6Very low38.2Very low164 Ų164142.5 Ų142.588%0.87780%0.804SS**  trans-77.7103.1173.4-160.78.8000108.6P231D229-P231 WeakPolarHBondContact O-CD 3.43Å
230Q33Very low38.6Very low166 Ų166146.8 Ų146.878%0.77681%0.809SS**PPolyproline II helixtrans-77.8120.3-179.2-80.1-171.1-18.700110.3Y228 R232Y228-Q230 PolarHBondContact O-N 2.83Å; Q230-R232 PolarHBondContact O-N 2.8Å; Q230-R232 VanDerWaalsContact O-N 3.14Å
231P37.9Very low38.8Very low122 Ų122146.9 Ų146.979%0.79280%0.798SS**PPolyproline II helixtrans-63.7119.2171.427.3-33000108.8D229 V233D229-P231 WeakPolarHBondContact O-CD 3.43Å; P231-V233 PolarHBondContact O-N 3Å
232R39.1Very low38.8Very low236 Ų236148.9 Ų148.989%0.89180%0.797SS**PPolyproline II helixtrans-67.2124.3174.4-71.2-173.6178.1-169.5-0.7109.1Q230 I234Q230-R232 PolarHBondContact O-N 2.8Å; Q230-R232 VanDerWaalsContact O-N 3.14Å; R232-I234 PolarHBondContact O-N 3.17Å
233V38Very low39.5Very low139 Ų139150.3 Ų150.384%0.84279%0.791SS**PPolyproline II helixtrans-55.1123.8173.6178.30000109.1P231P231-V233 PolarHBondContact O-N 3Å
234I42.7Very low40.4Very low151 Ų151153 Ų15377%0.77480%0.797SS**PPolyproline II helixtrans-81.6132166.4-61.6177.8000107.1R232R232-I234 PolarHBondContact O-N 3.17Å
235E41.3Very low41Very low190 Ų190149.4 Ų149.489%0.88880%0.798SS**PPolyproline II helixtrans-66.2138.2-177.3-159.3161.9-15700110.8E237E235-E237 PolarHBondContact O-N 3.04Å
236V51Low41.2Very low137 Ų137152.5 Ų152.583%0.8380%0.8SS**  trans-84.6114.9-161.5175.30000112.4
237E48Very low42.3Very low190 Ų190153.3 Ų153.389%0.88880%0.797SS**SBendtrans-143.1102155.3-165.8169.6-16200111.4E235E235-E237 PolarHBondContact O-N 3.04Å
238G46.6Very low42.4Very low76 Ų76152.2 Ų152.278%0.78479%0.79SS**  trans69.854.7156.600000119.1
239V33.6Very low42.9Very low132 Ų132151.7 Ų151.780%0.879%0.786SS**  trans-79.9127.9168-177.60000110.9E241V239-E241 HydrophobicContact CG1-CG 4.1Å
240M41.7Very low43.2Very low156 Ų156151.6 Ų151.677%0.76879%0.786SS**  trans-98.6120161.2-178.4-167.7-61.700108.3E242M240-E242 PolarHBondContact O-N 3.39Å; M240-E242 HydrophobicContact SD-CG 4.15Å
241E43.8Very low43.7Very low135 Ų135151.6 Ų151.663%0.63179%0.79SS**  trans-89.597.5174.9-65.8-176138.400110.5V239 Y243V239-E241 HydrophobicContact CG1-CG 4.1Å; E241-Y243 HydrophobicContact CB-CD2 4.1Å; E241-Y243 HydrophobicContact CB-CE2 3.65Å; E241-Y243 WeakPolarHBondContact O-CD2 3.28Å; E241-Y243 PolarHBondContact O-N 3.09Å; E241-Y243 PolarHBondContact OE2-OH 3.2Å; E241-Y243 VanDerWaalsContact OE2-OH 3.07Å
242E41.1Very low43.8Very low160 Ų160156.6 Ų156.675%0.74879%0.793SS**  trans-79.6100.5165.4-73.2-165.2140.500110M240 L244M240-E242 PolarHBondContact O-N 3.39Å; M240-E242 HydrophobicContact SD-CG 4.15Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 2.99Å
243Y45.4Very low43.8Very low190 Ų190153.1 Ų153.175%0.74579%0.792SS**  trans-72.581.5175.7-74.5-92.3000111.8E241 A245E241-Y243 HydrophobicContact CB-CD2 4.1Å; E241-Y243 HydrophobicContact CB-CE2 3.65Å; E241-Y243 WeakPolarHBondContact O-CD2 3.28Å; E241-Y243 PolarHBondContact O-N 3.09Å; E241-Y243 PolarHBondContact OE2-OH 3.2Å; E241-Y243 VanDerWaalsContact OE2-OH 3.07Å; Y243-A245 PolarHBondContact O-N 3.02Å; Y243-A245 VanDerWaalsContact O-N 3.13Å
244L52.3Low43.7Very low159 Ų159155.7 Ų155.783%0.83280%0.795SS**  trans-69.6102.4166.3-74171.3000109.9E242 F246E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 2.99Å; L244-F246 PolarHBondContact O-N 3.44Å
245A50.8Low43Very low106 Ų106154.3 Ų154.388%0.87680%0.798SS**  trans-67115.7176.800000111.1Y243Y243-A245 PolarHBondContact O-N 3.02Å; Y243-A245 VanDerWaalsContact O-N 3.13Å
246F41.1Very low43.1Very low180 Ų180153.7 Ų153.779%0.78979%0.794SS**  trans-103105177.9-170.7-89.9000109.3L244 S248L244-F246 PolarHBondContact O-N 3.44Å; F246-S248 PolarHBondContact O-N 3.09Å; F246-S248 VanDerWaalsContact O-N 3.07Å
247D53.5Low42.5Very low114 Ų114156 Ų15661%0.6180%0.796SS**  trans-77.593175.9-161.4-14000109.6R249D247-R249 PolarHBondContact O-N 3.17Å; D247-R249 VanDerWaalsContact O-N 3.09Å; D247-R249 IonicContact OD1-CZ 3.17Å; D247-R249 IonicContact OD1-NE 3.65Å; D247-R249 PolarHBondContact OD1-NE 3.37Å; D247-R249 IonicContact OD1-NH2 3.42Å; D247-R249 PolarHBondContact OD1-NH2 2.92Å; D247-R249 IonicContact OD2-CZ 2.71Å; D247-R249 IonicContact OD2-NE 3.89Å; D247-R249 IonicContact OD2-NH2 2.72Å; D247-R249 PolarHBondContact OD2-NH2 3.05Å
248S41.5Very low41.8Very low94 Ų94155.3 Ų155.366%0.65779%0.793SS**  trans-83.347.3179.447.80000113.1F246F246-S248 PolarHBondContact O-N 3.09Å; F246-S248 VanDerWaalsContact O-N 3.07Å
249R45.3Very low41Very low189 Ų189157 Ų15771%0.71379%0.791SS**  trans-106.493.3167.2-78.7179.3-72.3-169.12.4110.7D247D247-R249 PolarHBondContact O-N 3.17Å; D247-R249 VanDerWaalsContact O-N 3.09Å; D247-R249 IonicContact OD1-CZ 3.17Å; D247-R249 IonicContact OD1-NE 3.65Å; D247-R249 PolarHBondContact OD1-NE 3.37Å; D247-R249 IonicContact OD1-NH2 3.42Å; D247-R249 PolarHBondContact OD1-NH2 2.92Å; D247-R249 IonicContact OD2-CZ 2.71Å; D247-R249 IonicContact OD2-NE 3.89Å; D247-R249 IonicContact OD2-NH2 2.72Å; D247-R249 PolarHBondContact OD2-NH2 3.05Å
250D38.9Very low41.3Very low161 Ų161156 Ų15686%0.86179%0.787SS**  -176.378.9124.5-88.9-14.4000110.4
251L44.8Very low40.9Very low167 Ų167156.5 Ų156.587%0.87479%0.788SS**  trans-100.1109.3162.6-87.8171.4000109
252R38.7Very low40.7Very low227 Ų227155.1 Ų155.186%0.85779%0.793SS**  trans74104.8179.7-53.6168.4172.8-92.1-1.4115.1
253N38.9Very low40.7Very low162 Ų162153 Ų15387%0.86679%0.791SS**  -149.9167.395.2-90.9-19000110.6
254E36.3Very low40.6Very low194 Ų194154.2 Ų154.291%0.90779%0.794SS**  trans-83.4132.9-175.7-60.915712000111.4
255C29.5Very low40.1Very low122 Ų122157.1 Ų157.182%0.82479%0.794SS**  -174.7173.1111.5-152.50000110.9
256H41.4Very low40.1Very low177 Ų177159.1 Ų159.182%0.81979%0.785SS**  trans-70.3141.7171.8-67.6-106.5000112.3
257E39.3Very low40.4Very low185 Ų185159.6 Ų159.686%0.86479%0.789SS**  -152156.3129.8-102.8-51.315400109.1
258E32.8Very low40.3Very low176 Ų176159.3 Ų159.382%0.82280%0.795SS**  trans-107.2115.1-170.3-175173.7-165.200112.2
259C31.2Very low41.1Very low111 Ų111162 Ų16275%0.7580%0.801SS**  trans-146105.6171.4-159.50000112.9E261C259-E261 PolarHBondContact O-N 3.35Å; C259-E261 VanDerWaalsContact O-N 3.16Å
260P39.3Very low41.7Very low110 Ų110157.8 Ų157.871%0.71480%0.798SS**  trans-89.763.2-177.936.3-35.8000112.3S262P260-S262 PolarHBondContact O-N 2.72Å
261E33.4Very low43Very low168 Ų168156.5 Ų156.579%0.78580%0.799SS**  trans-68.584.4165.2-75.9-143.8135.400110.2C259 V263C259-E261 PolarHBondContact O-N 3.35Å; C259-E261 VanDerWaalsContact O-N 3.16Å; E261-V263 PolarHBondContact O-N 2.95Å
262S40.2Very low44.5Very low105 Ų105153 Ų15373%0.73478%0.784SS**  trans-68.976.1169.648.50000109.9P260 R264P260-S262 PolarHBondContact O-N 2.72Å; S262-R264 PolarHBondContact O-N 3.17Å
263V40.7Very low46.6Very low117 Ų117145 Ų14571%0.70976%0.763SS**  trans-45.1112.1165.6174.80000107E261 R265E261-V263 PolarHBondContact O-N 2.95Å; V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.37Å
264R43.5Very low48.8Very low214 Ų214141.9 Ų141.981%0.80875%0.752SS**  trans-64.396.1-177.2-63.6-174.9-168.3-176.35.3107.4S262 H266S262-R264 PolarHBondContact O-N 3.17Å; R264-H266 PolarHBondContact O-CD2 2.89Å; R264-H266 VanDerWaalsContact O-CD2 3.28Å; R264-H266 PolarHBondContact O-N 3.35Å
265R41.8Very low51.2Low220 Ų220139.6 Ų139.683%0.8374%0.736SS**  trans-6584.4167.7-63.9-176.1-169.4168.74.5106.4V263 H267V263-R265 VanDerWaalsContact C-N 3.3Å; V263-R265 PolarHBondContact O-N 3.37Å; R265-H267 PolarHBondContact O-N 2.87Å; R265-H267 VanDerWaalsContact O-N 3.16Å
266H49.1Very low53.7Low149 Ų149137 Ų13769%0.6972%0.718SS**  trans-47.5126.3165.8-76.5-93.9000106.5R264 C268R264-H266 PolarHBondContact O-CD2 2.89Å; R264-H266 VanDerWaalsContact O-CD2 3.28Å; R264-H266 PolarHBondContact O-N 3.35Å; H266-C268 PolarHBondContact O-N 3.1Å
267H48.5Very low55.9Low189 Ų189131.7 Ų131.788%0.87570%0.7SS**  trans-73.462.4177.5-64.4-75.2000109.5R265 L269R265-H267 PolarHBondContact O-N 2.87Å; R265-H267 VanDerWaalsContact O-N 3.16Å; H267-L269 PolarHBondContact O-N 3.07Å
268C50.3Low58.3Low108 Ų108131.4 Ų131.473%0.7369%0.691SS**  trans-60.2108.4167.5-64.30000106.7H266H266-C268 PolarHBondContact O-N 3.1Å
269L60.2Low61.3Low151 Ų151130.4 Ų130.479%0.79168%0.68SS**  trans-50.7137.5168.4-63.7172.2000108.1H267H267-L269 PolarHBondContact O-N 3.07Å
270P57.6Low64.1Low101 Ų101130 Ų13066%0.65667%0.667SS**  trans-55.1139-177.123.2-33.8000109.7V272P270-V272 WeakPolarHBondContact O-CG2 3.25Å; P270-V272 PolarHBondContact O-N 3.5Å
271P66.2Low66.7Low134 Ų134127.1 Ų127.187%0.8765%0.653SS**  trans-60.7103.6-167.522.8-33.8000111.2S273P271-S273 PolarHBondContact O-N 3.06Å
272V75.4Confident69.6Low94 Ų94121.6 Ų121.657%0.5764%0.635SS**  trans-73.4113.6-175.7-167.30000108.9P270 C276 C277P270-V272 WeakPolarHBondContact O-CG2 3.25Å; P270-V272 PolarHBondContact O-N 3.5Å; V272-C276 HydrophobicContact CG1-CB 4.07Å; V272-C277 WeakPolarHBondContact CG1-SG 3.33Å
273S83.1Confident72.2Confident59 Ų59120.4 Ų120.441%0.41362%0.621SS.*  trans-54.1134.2176.7173.30000110.8P271 Y275 C276 C277P271-S273 PolarHBondContact O-N 3.06Å; S273-Y275 PolarHBondContact O-N 2.8Å; S273-Y275 PolarHBondContact OG-N 3.27Å; S273-C276 WeakPolarHBondContact O-CA 3.35Å; S273-C276 WeakPolarHBondContact O-CB 3.4Å; S273-C276 PolarHBondContact O-N 3.28Å; S273-C277 PolarHBondContact O-N 3.39Å; S273-C277 VanDerWaalsContact O-N 3.13Å
274P85.1Confident74.9Confident96 Ų96118.4 Ų118.462%0.62361%0.606SS**Hα-helixtrans-56-24.2176.5-27.735.5000114.1R278P274-R278 WeakPolarHBondContact O-CB 3.31Å; P274-R278 PolarHBondContact O-N 3.13Å; P274-R278 VanDerWaalsContact O-N 3.13Å
275Y86.6Confident77.3Confident146 Ų146113.7 Ų113.757%0.57360%0.596SS**Hα-helixtrans-66.5-44.9170.8175.8-94.5000111.8S273 R278 R279S273-Y275 PolarHBondContact O-N 2.8Å; S273-Y275 PolarHBondContact OG-N 3.27Å; Y275-R278 PolarHBondContact O-N 2.98Å; Y275-R279 WeakPolarHBondContact O-CB 3.4Å; Y275-R279 PolarHBondContact O-N 2.76Å
276C82.7Confident79.9Confident67 Ų67108.4 Ų108.445%0.45358%0.583SS.*Hα-helixtrans-63.7-44177.4-62.80000111.3V272 S273 R278 R279 Q280V272-C276 HydrophobicContact CG1-CB 4.07Å; S273-C276 WeakPolarHBondContact O-CA 3.35Å; S273-C276 WeakPolarHBondContact O-CB 3.4Å; S273-C276 PolarHBondContact O-N 3.28Å; C276-R278 VanDerWaalsContact C-N 3.33Å; C276-R278 PolarHBondContact O-N 2.75Å; C276-R279 PolarHBondContact O-N 2.71Å; C276-Q280 WeakPolarHBondContact O-CB 3.44Å; C276-Q280 PolarHBondContact O-N 2.76Å
277C88.1Confident82.2Confident66 Ų66107 Ų10745%0.44658%0.576SS.*Hα-helixtrans-57.5-45174.1-60.20000112.1V272 S273 Q280 A281V272-C277 WeakPolarHBondContact CG1-SG 3.33Å; S273-C277 PolarHBondContact O-N 3.39Å; S273-C277 VanDerWaalsContact O-N 3.13Å; C277-Q280 PolarHBondContact O-N 3.28Å; C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 2.96Å
278R89.6Confident84.5Confident178 Ų178102.6 Ų102.667%0.67256%0.558SS**Hα-helixtrans-68.2-39.2179.2-167.3-171.9-56.2150.54.9112.2P274 Y275 C276 A282P274-R278 WeakPolarHBondContact O-CB 3.31Å; P274-R278 PolarHBondContact O-N 3.13Å; P274-R278 VanDerWaalsContact O-N 3.13Å; Y275-R278 PolarHBondContact O-N 2.98Å; C276-R278 VanDerWaalsContact C-N 3.33Å; C276-R278 PolarHBondContact O-N 2.75Å; R278-A282 WeakPolarHBondContact O-CB 3.42Å; R278-A282 PolarHBondContact O-N 3.16Å; R278-A282 VanDerWaalsContact O-N 3.12Å
279R94Very high86.6Confident156 Ų156101.1 Ų101.159%0.58954%0.544SS*.Hα-helixtrans-64.6-44.1175.2-179.3177.9173.7-171.9-2.9110.9Y275 C276 A282 L283Y275-R279 WeakPolarHBondContact O-CB 3.4Å; Y275-R279 PolarHBondContact O-N 2.76Å; C276-R279 PolarHBondContact O-N 2.71Å; R279-A282 PolarHBondContact O-N 2.77Å; R279-L283 HydrophobicContact CG-CD1 4.14Å; R279-L283 WeakPolarHBondContact O-CG 3.34Å; R279-L283 PolarHBondContact O-N 2.91Å
280Q91.8Very high88.4Confident102 Ų10298.8 Ų98.848%0.47754%0.535SS..Hα-helixtrans-63.2-52178-168.958.943.700110.8C276 C277 A282 L283 D284C276-Q280 WeakPolarHBondContact O-CB 3.44Å; C276-Q280 PolarHBondContact O-N 2.76Å; C277-Q280 PolarHBondContact O-N 3.28Å; Q280-A282 PolarHBondContact O-N 3.2Å; Q280-A282 VanDerWaalsContact O-N 3.12Å; Q280-L283 CarbonylContact O-C 3.53Å; Q280-L283 WeakPolarHBondContact O-CA 3.41Å; Q280-L283 WeakPolarHBondContact O-CB 3.5Å; Q280-L283 PolarHBondContact O-N 3.41Å; Q280-D284 PolarHBondContact NE2-OD1 3.4Å; Q280-D284 PolarHBondContact O-N 3.14Å
281A92.7Very high90.3Very high50 Ų50100.2 Ų100.241%0.41353%0.528SS..Hα-helixtrans-57.9-31.5178.100000113.7C277 L285C277-A281 WeakPolarHBondContact O-CB 3.45Å; C277-A281 PolarHBondContact O-N 2.96Å; A281-L285 WeakPolarHBondContact O-CD1 3.19Å; A281-L285 VanDerWaalsContact O-CG 3.31Å; A281-L285 WeakPolarHBondContact O-CG 3.47Å; A281-L285 PolarHBondContact O-N 3.11Å
282A94.4Very high91.8Very high51 Ų51100 Ų10042%0.42151%0.509SS..Hα-helixtrans-73.1-36.3172.600000112.9R278 R279 Q280 L286R278-A282 WeakPolarHBondContact O-CB 3.42Å; R278-A282 PolarHBondContact O-N 3.16Å; R278-A282 VanDerWaalsContact O-N 3.12Å; R279-A282 PolarHBondContact O-N 2.77Å; Q280-A282 PolarHBondContact O-N 3.2Å; Q280-A282 VanDerWaalsContact O-N 3.12Å; A282-L286 WeakPolarHBondContact O-CD1 3.44Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.39Å; A282-L286 PolarHBondContact O-N 3.3Å
283L96Very high92.8Very high81 Ų8199.9 Ų99.942%0.42450%0.503SS..Hα-helixtrans-69.5-38.6173.6-70.5169.7000111.8R279 Q280 L286 F287R279-L283 HydrophobicContact CG-CD1 4.14Å; R279-L283 WeakPolarHBondContact O-CG 3.34Å; R279-L283 PolarHBondContact O-N 2.91Å; Q280-L283 CarbonylContact O-C 3.53Å; Q280-L283 WeakPolarHBondContact O-CA 3.41Å; Q280-L283 WeakPolarHBondContact O-CB 3.5Å; Q280-L283 PolarHBondContact O-N 3.41Å; L283-L286 PolarHBondContact O-N 2.83Å; L283-F287 WeakPolarHBondContact O-CB 3.41Å; L283-F287 PolarHBondContact O-N 3.09Å
284D95.9Very high93.5Very high74 Ų74100.2 Ų100.240%0.39650%0.5SS..Hα-helixtrans-62.3-45.6177.9-57.1-32.4000110.8Q280 F287 D288Q280-D284 PolarHBondContact NE2-OD1 3.4Å; Q280-D284 PolarHBondContact O-N 3.14Å; D284-F287 WeakPolarHBondContact O-CB 3.38Å; D284-F287 PolarHBondContact O-N 2.8Å; D284-D288 PolarHBondContact O-N 3.44Å
285L94.8Very high94Very high116 Ų11698.9 Ų98.961%0.60749%0.489SS*.Hα-helixtrans-64.1-41.4175.7-69.9167.5000112.5A281 F287 D288 D289A281-L285 WeakPolarHBondContact O-CD1 3.19Å; A281-L285 VanDerWaalsContact O-CG 3.31Å; A281-L285 WeakPolarHBondContact O-CG 3.47Å; A281-L285 PolarHBondContact O-N 3.11Å; L285-F287 VanDerWaalsContact C-N 3.32Å; L285-D288 PolarHBondContact O-N 3.42Å; L285-D289 PolarHBondContact O-N 3.34Å
286L96.6Very high94.4Very high108 Ų10893.3 Ų93.357%0.56548%0.476SS*.Hα-helixtrans-67.6-33.6175.6-72.3170.3000112.1A282 L283 V290A282-L286 WeakPolarHBondContact O-CD1 3.44Å; A282-L286 VanDerWaalsContact O-CG 3.26Å; A282-L286 WeakPolarHBondContact O-CG 3.39Å; A282-L286 PolarHBondContact O-N 3.3Å; L283-L286 PolarHBondContact O-N 2.83Å; L286-V290 WeakPolarHBondContact O-CB 3.31Å; L286-V290 WeakPolarHBondContact O-CG2 3.37Å; L286-V290 PolarHBondContact O-N 3.16Å
287F96.8Very high95.1Very high121 Ų12197.9 Ų97.953%0.53148%0.484SS..Hα-helixtrans-65.6-50.2173.1177.6-90.6000110.7L283 D284 L285 D289 V290 W291L283-F287 WeakPolarHBondContact O-CB 3.41Å; L283-F287 PolarHBondContact O-N 3.09Å; D284-F287 WeakPolarHBondContact O-CB 3.38Å; D284-F287 PolarHBondContact O-N 2.8Å; L285-F287 VanDerWaalsContact C-N 3.32Å; F287-D289 VanDerWaalsContact C-N 3.25Å; F287-D289 PolarHBondContact O-N 2.79Å; F287-V290 PolarHBondContact O-N 2.69Å; F287-W291 HydrophobicContact CD1-CB 4.37Å; F287-W291 HydrophobicContact CE1-CB 4.07Å; F287-W291 HydrophobicContact CE1-CD2 4.4Å; F287-W291 HydrophobicContact CE1-CG 4.08Å; F287-W291 HydrophobicContact CE2-CE3 4.36Å; F287-W291 HydrophobicContact CZ-CB 4.27Å; F287-W291 HydrophobicContact CZ-CD2 4.02Å; F287-W291 AromaticContact CZ-CE3 3.97Å; F287-W291 HydrophobicContact CZ-CE3 3.97Å; F287-W291 HydrophobicContact CZ-CG 4.15Å; F287-W291 WeakPolarHBondContact O-CB 3.32Å; F287-W291 PolarHBondContact O-N 3.28Å
288D96.1Very high95.5Very high95 Ų9599.8 Ų99.851%0.50849%0.488SS..Hα-helixtrans-58.5-36.7177-84.7-13.1000112.4D284 L285 R292D284-D288 PolarHBondContact O-N 3.44Å; L285-D288 PolarHBondContact O-N 3.42Å; D288-R292 WeakPolarHBondContact O-CB 3.33Å; D288-R292 PolarHBondContact O-N 3.36Å
289D95.8Very high95.7Very high78 Ų7898.1 Ų98.142%0.41749%0.485SS..Hα-helixtrans-66.5-51.7174.6-81.8-17.2000112.5L285 F287 R292 E293L285-D289 PolarHBondContact O-N 3.34Å; F287-D289 VanDerWaalsContact C-N 3.25Å; F287-D289 PolarHBondContact O-N 2.79Å; D289-R292 PolarHBondContact O-N 2.92Å; D289-R292 IonicContact OD1-CZ 2.67Å; D289-R292 IonicContact OD1-NH1 2.68Å; D289-R292 PolarHBondContact OD1-NH1 2.82Å; D289-R292 IonicContact OD1-NH2 2.99Å; D289-R292 PolarHBondContact OD1-NH2 3.11Å; D289-E293 PolarHBondContact O-N 2.95Å
290V97.6Very high95.7Very high102 Ų10296.3 Ų96.362%0.61848%0.483SS*.Hα-helixtrans-66-40179.2171.40000111.7L286 F287 E293 L294L286-V290 WeakPolarHBondContact O-CB 3.31Å; L286-V290 WeakPolarHBondContact O-CG2 3.37Å; L286-V290 PolarHBondContact O-N 3.16Å; F287-V290 PolarHBondContact O-N 2.69Å; V290-E293 PolarHBondContact O-N 2.89Å; V290-L294 WeakPolarHBondContact O-CB 3.38Å; V290-L294 PolarHBondContact O-N 2.87Å
291W97.3Very high95.8Very high131 Ų13197.3 Ų97.350%0.49649%0.492SS..Hα-helixtrans-66.8-39-179.8-171.2-108.3000111.7F287 L294 V295F287-W291 HydrophobicContact CD1-CB 4.37Å; F287-W291 HydrophobicContact CE1-CB 4.07Å; F287-W291 HydrophobicContact CE1-CD2 4.4Å; F287-W291 HydrophobicContact CE1-CG 4.08Å; F287-W291 HydrophobicContact CE2-CE3 4.36Å; F287-W291 HydrophobicContact CZ-CB 4.27Å; F287-W291 HydrophobicContact CZ-CD2 4.02Å; F287-W291 AromaticContact CZ-CE3 3.97Å; F287-W291 HydrophobicContact CZ-CE3 3.97Å; F287-W291 HydrophobicContact CZ-CG 4.15Å; F287-W291 WeakPolarHBondContact O-CB 3.32Å; F287-W291 PolarHBondContact O-N 3.28Å; W291-L294 HydrophobicContact CE3-CD2 3.9Å; W291-L294 HydrophobicContact CZ3-CD2 3.83Å; W291-L294 PolarHBondContact O-N 2.92Å; W291-V295 HydrophobicContact CD2-CG2 4.38Å; W291-V295 HydrophobicContact CG-CG2 4.45Å; W291-V295 HydrophobicContact CZ2-CG2 4.39Å; W291-V295 WeakPolarHBondContact O-CB 3.25Å; W291-V295 VanDerWaalsContact O-CG2 3.27Å; W291-V295 WeakPolarHBondContact O-CG2 3.48Å; W291-V295 PolarHBondContact O-N 2.94Å
292R96.7Very high95.9Very high129 Ų12999.7 Ų99.749%0.48750%0.501SS..Hα-helixtrans-62-44.4174.6179.5-176.963.7-113.62.4112.3D288 D289 G296D288-R292 WeakPolarHBondContact O-CB 3.33Å; D288-R292 PolarHBondContact O-N 3.36Å; D289-R292 PolarHBondContact O-N 2.92Å; D289-R292 IonicContact OD1-CZ 2.67Å; D289-R292 IonicContact OD1-NH1 2.68Å; D289-R292 PolarHBondContact OD1-NH1 2.82Å; D289-R292 IonicContact OD1-NH2 2.99Å; D289-R292 PolarHBondContact OD1-NH2 3.11Å; R292-G296 PolarHBondContact O-N 3.32Å
293E96.9Very high95.8Very high92 Ų92101.6 Ų101.643%0.4350%0.501SS..Hα-helixtrans-66.3-43.6176.5-62.7-54.7126.700111.4D289 V290 V295 G296 W297D289-E293 PolarHBondContact O-N 2.95Å; V290-E293 PolarHBondContact O-N 2.89Å; E293-V295 PolarHBondContact O-N 3.48Å; E293-G296 WeakPolarHBondContact O-CA 3.24Å; E293-G296 PolarHBondContact O-N 3.03Å; E293-G296 VanDerWaalsContact O-N 3.1Å; E293-W297 HydrophobicContact CB-CH2 4.25Å; E293-W297 HydrophobicContact CB-CZ2 3.91Å; E293-W297 VanDerWaalsContact O-CG 3.31Å; E293-W297 PolarHBondContact O-N 2.94Å
294L97.6Very high95.6Very high66 Ų66105.6 Ų105.635%0.34651%0.51SS..Hα-helixtrans-58.5-47.8175.5177.562.1000112V290 W291 G296 W297 M298V290-L294 WeakPolarHBondContact O-CB 3.38Å; V290-L294 PolarHBondContact O-N 2.87Å; W291-L294 HydrophobicContact CE3-CD2 3.9Å; W291-L294 HydrophobicContact CZ3-CD2 3.83Å; W291-L294 PolarHBondContact O-N 2.92Å; L294-G296 VanDerWaalsContact C-N 3.27Å; L294-G296 PolarHBondContact O-N 3.36Å; L294-W297 PolarHBondContact O-N 3.33Å; L294-M298 HydrophobicContact CD1-CG 4.33Å; L294-M298 HydrophobicContact CD1-SD 4.29Å; L294-M298 HydrophobicContact CG-SD 4.09Å; L294-M298 WeakPolarHBondContact O-CB 3.3Å; L294-M298 VanDerWaalsContact O-CG 3.3Å; L294-M298 WeakPolarHBondContact O-CG 3.25Å; L294-M298 PolarHBondContact O-N 3.27Å
295V96.3Very high95.1Very high67 Ų67108 Ų10841%0.40652%0.519SS..Hα-helixtrans-64.5-33.4175.9170.20000111.2W291 E293 K299W291-V295 HydrophobicContact CD2-CG2 4.38Å; W291-V295 HydrophobicContact CG-CG2 4.45Å; W291-V295 HydrophobicContact CZ2-CG2 4.39Å; W291-V295 WeakPolarHBondContact O-CB 3.25Å; W291-V295 VanDerWaalsContact O-CG2 3.27Å; W291-V295 WeakPolarHBondContact O-CG2 3.48Å; W291-V295 PolarHBondContact O-N 2.94Å; E293-V295 PolarHBondContact O-N 3.48Å; V295-K299 VanDerWaalsContact O-CB 3.23Å; V295-K299 WeakPolarHBondContact O-CB 3.25Å; V295-K299 PolarHBondContact O-N 3.24Å
296G95.8Very high94.9Very high29 Ų29111.3 Ų111.330%0.29952%0.523SS..Hα-helixtrans-58.5-54.217000000112.3R292 E293 L294 M298 K299 E300R292-G296 PolarHBondContact O-N 3.32Å; E293-G296 WeakPolarHBondContact O-CA 3.24Å; E293-G296 PolarHBondContact O-N 3.03Å; E293-G296 VanDerWaalsContact O-N 3.1Å; L294-G296 VanDerWaalsContact C-N 3.27Å; L294-G296 PolarHBondContact O-N 3.36Å; G296-M298 PolarHBondContact O-N 3.48Å; G296-K299 WeakPolarHBondContact O-CB 3.22Å; G296-K299 PolarHBondContact O-N 2.66Å; G296-E300 PolarHBondContact O-N 3.37Å
297W96.3Very high94.4Very high164 Ų164110.5 Ų110.562%0.62152%0.517SS*.Hα-helixtrans-65.1-39178.7-53.4-27.9000112.5E293 L294 E300 L301E293-W297 HydrophobicContact CB-CH2 4.25Å; E293-W297 HydrophobicContact CB-CZ2 3.91Å; E293-W297 VanDerWaalsContact O-CG 3.31Å; E293-W297 PolarHBondContact O-N 2.94Å; L294-W297 PolarHBondContact O-N 3.33Å; W297-E300 PolarHBondContact O-N 2.97Å; W297-L301 VanDerWaalsContact O-CB 3.29Å; W297-L301 WeakPolarHBondContact O-CB 3.27Å; W297-L301 PolarHBondContact O-N 3.45Å
298M96.3Very high93Very high105 Ų105108.6 Ų108.652%0.51752%0.518SS..Hα-helixtrans-62.6-43174-74.217868.100111.6L294 G296 L301 V302L294-M298 HydrophobicContact CD1-CG 4.33Å; L294-M298 HydrophobicContact CD1-SD 4.29Å; L294-M298 HydrophobicContact CG-SD 4.09Å; L294-M298 WeakPolarHBondContact O-CB 3.3Å; L294-M298 VanDerWaalsContact O-CG 3.3Å; L294-M298 WeakPolarHBondContact O-CG 3.25Å; L294-M298 PolarHBondContact O-N 3.27Å; G296-M298 PolarHBondContact O-N 3.48Å; M298-L301 PolarHBondContact O-N 2.86Å; M298-V302 WeakPolarHBondContact O-CB 3.28Å; M298-V302 VanDerWaalsContact O-CG2 3.3Å; M298-V302 WeakPolarHBondContact O-CG2 3.46Å; M298-V302 PolarHBondContact O-N 2.85Å
299K95Very high91.2Very high143 Ų143106.3 Ų106.362%0.62251%0.509SS*.Hα-helixtrans-61.3-47.4175179.7-169.6171.6-167.90111.1V295 G296 L301 V302 Q303V295-K299 VanDerWaalsContact O-CB 3.23Å; V295-K299 WeakPolarHBondContact O-CB 3.25Å; V295-K299 PolarHBondContact O-N 3.24Å; G296-K299 WeakPolarHBondContact O-CB 3.22Å; G296-K299 PolarHBondContact O-N 2.66Å; K299-L301 PolarHBondContact O-N 2.68Å; K299-V302 PolarHBondContact O-N 2.88Å; K299-Q303 VanDerWaalsContact O-CB 3.22Å; K299-Q303 WeakPolarHBondContact O-CB 3.36Å; K299-Q303 PolarHBondContact O-N 3.08Å
300E92.8Very high89.5Confident118 Ų118105.9 Ų105.955%0.55151%0.509SS*.Hα-helixtrans-61.6-42.1176.3-75.1-167.1-164.400112.1G296 W297 Q303 R304G296-E300 PolarHBondContact O-N 3.37Å; W297-E300 PolarHBondContact O-N 2.97Å; E300-Q303 PolarHBondContact O-N 2.67Å; E300-R304 WeakPolarHBondContact O-CB 3.39Å; E300-R304 WeakPolarHBondContact O-CG 3.2Å; E300-R304 PolarHBondContact O-N 2.86Å
301L94.4Very high87.5Confident124 Ų124104.5 Ų104.565%0.64950%0.504SS*.Hα-helixtrans-64-45.3178.3-177.663.3000112.1W297 M298 K299 R304 H305W297-L301 VanDerWaalsContact O-CB 3.29Å; W297-L301 WeakPolarHBondContact O-CB 3.27Å; W297-L301 PolarHBondContact O-N 3.45Å; M298-L301 PolarHBondContact O-N 2.86Å; K299-L301 PolarHBondContact O-N 2.68Å; L301-R304 PolarHBondContact O-N 3.39Å; L301-H305 WeakPolarHBondContact O-CB 3.43Å; L301-H305 PolarHBondContact O-N 3.4Å
302V93.9Very high85.4Confident99 Ų99106 Ų10660%0.651%0.509SS*.Hα-helixtrans-65.2-41.8176.1170.40000111M298 K299 H305 W306M298-V302 WeakPolarHBondContact O-CB 3.28Å; M298-V302 VanDerWaalsContact O-CG2 3.3Å; M298-V302 WeakPolarHBondContact O-CG2 3.46Å; M298-V302 PolarHBondContact O-N 2.85Å; K299-V302 PolarHBondContact O-N 2.88Å; V302-H305 PolarHBondContact O-N 3.32Å; V302-W306 WeakPolarHBondContact O-CB 3.49Å; V302-W306 PolarHBondContact O-N 3.26Å
303Q93.8Very high83.4Confident92 Ų92103.6 Ų103.643%0.4351%0.506SS..Hα-helixtrans-62.8-48.8175.9-179.7170.1-10.900111.3K299 E300 H305 W306 E307K299-Q303 VanDerWaalsContact O-CB 3.22Å; K299-Q303 WeakPolarHBondContact O-CB 3.36Å; K299-Q303 PolarHBondContact O-N 3.08Å; E300-Q303 PolarHBondContact O-N 2.67Å; Q303-H305 VanDerWaalsContact C-N 3.33Å; Q303-H305 PolarHBondContact O-N 2.9Å; Q303-W306 PolarHBondContact O-N 3.06Å; Q303-E307 HydrophobicContact CG-CG 4.31Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.43Å; Q303-E307 PolarHBondContact NE2-OE1 2.8Å; Q303-E307 WeakPolarHBondContact O-CB 3.39Å; Q303-E307 VanDerWaalsContact O-CG 3.31Å; Q303-E307 WeakPolarHBondContact O-CG 3.24Å; Q303-E307 PolarHBondContact O-N 3.18Å
304R90Very high81.3Confident164 Ų164103 Ų10362%0.61952%0.517SS*.Hα-helixtrans-56.8-44.8174.4-71.1-79.6-170.9106.213.6111.6E300 L301 C308E300-R304 WeakPolarHBondContact O-CB 3.39Å; E300-R304 WeakPolarHBondContact O-CG 3.2Å; E300-R304 PolarHBondContact O-N 2.86Å; L301-R304 PolarHBondContact O-N 3.39Å; R304-C308 VanDerWaalsContact O-CB 3.25Å; R304-C308 WeakPolarHBondContact O-CB 3.25Å; R304-C308 PolarHBondContact O-N 3.28Å; R304-C308 PolarHBondContact O-SG 3.02Å; R304-C308 VanDerWaalsContact O-SG 3.34Å
305H87.4Confident79.3Confident126 Ų126108.4 Ų108.458%0.58354%0.538SS*.Hα-helixtrans-61.1-47.9177.4-177.5-96.5000111.3L301 V302 Q303 C308 C309L301-H305 WeakPolarHBondContact O-CB 3.43Å; L301-H305 PolarHBondContact O-N 3.4Å; V302-H305 PolarHBondContact O-N 3.32Å; Q303-H305 VanDerWaalsContact C-N 3.33Å; Q303-H305 PolarHBondContact O-N 2.9Å; H305-C308 PolarHBondContact O-N 3.38Å; H305-C309 WeakPolarHBondContact O-CB 3.22Å; H305-C309 PolarHBondContact O-N 3.43Å; H305-C309 PolarHBondContact O-SG 2.93Å
306W88.9Confident77.1Confident184 Ų184108.2 Ų108.270%0.69753%0.532SS*.Hα-helixtrans-64.3-42.9179.1-170.3-103000113.1V302 Q303 C309 T310V302-W306 WeakPolarHBondContact O-CB 3.49Å; V302-W306 PolarHBondContact O-N 3.26Å; Q303-W306 PolarHBondContact O-N 3.06Å; W306-C309 PolarHBondContact O-N 3.45Å; W306-T310 WeakPolarHBondContact O-CB 3.23Å; W306-T310 WeakPolarHBondContact O-CG2 3.42Å; W306-T310 PolarHBondContact O-N 2.89Å; W306-T310 PolarHBondContact O-OG1 2.97Å
307E86.9Confident75Confident92 Ų92111.9 Ų111.943%0.4354%0.544SS..Hα-helixtrans-65.9-39.6175.4-72.1171.9179.600112Q303 T310 S311Q303-E307 HydrophobicContact CG-CG 4.31Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.43Å; Q303-E307 PolarHBondContact NE2-OE1 2.8Å; Q303-E307 WeakPolarHBondContact O-CB 3.39Å; Q303-E307 VanDerWaalsContact O-CG 3.31Å; Q303-E307 WeakPolarHBondContact O-CG 3.24Å; Q303-E307 PolarHBondContact O-N 3.18Å; E307-T310 WeakPolarHBondContact CA-OG1 3.19Å; E307-T310 PolarHBondContact O-OG1 3.13Å; E307-S311 VanDerWaalsContact O-CB 3.24Å; E307-S311 WeakPolarHBondContact O-CB 3.48Å; E307-S311 PolarHBondContact O-N 3.23Å; E307-S311 PolarHBondContact O-OG 3.17Å
308C67.1Low72.8Confident81 Ų81109.3 Ų109.355%0.54755%0.551SS.*Hα-helixtrans-67.5-41.6173-76.50000112.4R304 H305 S311 R312R304-C308 VanDerWaalsContact O-CB 3.25Å; R304-C308 WeakPolarHBondContact O-CB 3.25Å; R304-C308 PolarHBondContact O-N 3.28Å; R304-C308 PolarHBondContact O-SG 3.02Å; R304-C308 VanDerWaalsContact O-SG 3.34Å; H305-C308 PolarHBondContact O-N 3.38Å; C308-S311 PolarHBondContact O-OG 3.3Å; C308-R312 WeakPolarHBondContact O-CB 3.5Å; C308-R312 PolarHBondContact O-N 3.32Å
309C59.2Low70.7Confident47 Ų47106.8 Ų106.832%0.31855%0.547SS..Hα-helixtrans-62.9-48.8175.7-75.10000111.8H305 W306 R312 N313H305-C309 WeakPolarHBondContact O-CB 3.22Å; H305-C309 PolarHBondContact O-N 3.43Å; H305-C309 PolarHBondContact O-SG 2.93Å; W306-C309 PolarHBondContact O-N 3.45Å; C309-R312 PolarHBondContact O-N 3.42Å; C309-N313 VanDerWaalsContact O-CB 3.28Å; C309-N313 WeakPolarHBondContact O-CB 3.06Å; C309-N313 PolarHBondContact O-N 2.82Å; C309-N313 PolarHBondContact O-ND2 3.39Å; C309-N313 PolarHBondContact O-OD1 2.92Å
310T58.9Low68.8Low69 Ų69102.9 Ų102.942%0.42353%0.532SS..Hα-helixtrans-66-45.3-179.448.90000112.4W306 E307 N313 A314W306-T310 WeakPolarHBondContact O-CB 3.23Å; W306-T310 WeakPolarHBondContact O-CG2 3.42Å; W306-T310 PolarHBondContact O-N 2.89Å; W306-T310 PolarHBondContact O-OG1 2.97Å; E307-T310 WeakPolarHBondContact CA-OG1 3.19Å; E307-T310 PolarHBondContact O-OG1 3.13Å; T310-N313 PolarHBondContact O-N 3.2Å; T310-A314 PolarHBondContact O-N 2.78Å
311S57.1Low66.8Low72 Ų72102.2 Ų102.250%0.50353%0.532SS..Hα-helixtrans-68-33.8177.461.20000113.6E307 C308E307-S311 VanDerWaalsContact O-CB 3.24Å; E307-S311 WeakPolarHBondContact O-CB 3.48Å; E307-S311 PolarHBondContact O-N 3.23Å; E307-S311 PolarHBondContact O-OG 3.17Å; C308-S311 PolarHBondContact O-OG 3.3Å
312R53.1Low64.9Low162 Ų162104.2 Ų104.261%0.61154%0.543SS*.Hα-helixtrans-68.9-45.7172.2-177.9168.6172.1138.8-11.9111C308 C309 A314 K315 Q316C308-R312 WeakPolarHBondContact O-CB 3.5Å; C308-R312 PolarHBondContact O-N 3.32Å; C309-R312 PolarHBondContact O-N 3.42Å; R312-A314 VanDerWaalsContact C-N 3.29Å; R312-A314 PolarHBondContact O-N 2.99Å; R312-K315 CarbonylContact O-C 3.52Å; R312-K315 PolarHBondContact O-N 3.17Å; R312-Q316 WeakPolarHBondContact O-CB 3.41Å; R312-Q316 PolarHBondContact O-N 2.62Å
313N52.8Low62.8Low80 Ų80108.6 Ų108.643%0.42855%0.548SS..Hα-helixtrans-57.5-41.5177-73.1-10.3000111.4C309 T310 K315 Q316 I317C309-N313 VanDerWaalsContact O-CB 3.28Å; C309-N313 WeakPolarHBondContact O-CB 3.06Å; C309-N313 PolarHBondContact O-N 2.82Å; C309-N313 PolarHBondContact O-ND2 3.39Å; C309-N313 PolarHBondContact O-OD1 2.92Å; T310-N313 PolarHBondContact O-N 3.2Å; N313-K315 PolarHBondContact O-N 3.44Å; N313-Q316 PolarHBondContact O-N 3.41Å; N313-I317 HydrophobicContact CB-CD1 4.13Å; N313-I317 HydrophobicContact CB-CG1 4.38Å; N313-I317 WeakPolarHBondContact O-CB 3.21Å; N313-I317 WeakPolarHBondContact O-CD1 3.4Å; N313-I317 WeakPolarHBondContact O-CG1 3.49Å; N313-I317 PolarHBondContact O-N 3.48Å
314A54.1Low60.6Low79 Ų79107.7 Ų107.765%0.65355%0.55SS*.Hα-helixtrans-56.1-2417500000114.5T310 R312T310-A314 PolarHBondContact O-N 2.78Å; R312-A314 VanDerWaalsContact C-N 3.29Å; R312-A314 PolarHBondContact O-N 2.99Å
315K54.8Low58.8Low180 Ų180106.8 Ų106.878%0.78356%0.556SS**Hα-helixtrans-106.6-3.6175.2-66-177.9179.8177.70114.3R312 N313R312-K315 CarbonylContact O-C 3.52Å; R312-K315 PolarHBondContact O-N 3.17Å; N313-K315 PolarHBondContact O-N 3.44Å
316Q50.1Low56.8Low63 Ų63103.3 Ų103.329%0.29456%0.555SS.*Hα-helixtrans-117.3-15.4-178.8-117.9177.5-13.600114.3R312 N313 S318 A319 I320R312-Q316 WeakPolarHBondContact O-CB 3.41Å; R312-Q316 PolarHBondContact O-N 2.62Å; N313-Q316 PolarHBondContact O-N 3.41Å; Q316-S318 PolarHBondContact O-N 3.36Å; Q316-A319 PolarHBondContact O-N 3.19Å; Q316-I320 HydrophobicContact CB-CD1 3.77Å; Q316-I320 HydrophobicContact CB-CG1 4.2Å; Q316-I320 HydrophobicContact CG-CD1 3.87Å; Q316-I320 HydrophobicContact CG-CG1 4.07Å; Q316-I320 WeakPolarHBondContact O-CG1 3.37Å; Q316-I320 PolarHBondContact O-N 3.16Å
317I52.4Low55.1Low105 Ų105101.1 Ų101.154%0.53856%0.556SS.*Hα-helixtrans-57.8-35174.5-78.2162.2000111.9N313 A319N313-I317 HydrophobicContact CB-CD1 4.13Å; N313-I317 HydrophobicContact CB-CG1 4.38Å; N313-I317 WeakPolarHBondContact O-CB 3.21Å; N313-I317 WeakPolarHBondContact O-CD1 3.4Å; N313-I317 WeakPolarHBondContact O-CG1 3.49Å; N313-I317 PolarHBondContact O-N 3.48Å; I317-A319 VanDerWaalsContact C-N 3.26Å; I317-A319 PolarHBondContact O-N 3.4Å
318S50.8Low53Low110 Ų110104.3 Ų104.377%0.76958%0.575SS**Hα-helixtrans-71.5-13.6174.554.20000114.7Q316Q316-S318 PolarHBondContact O-N 3.36Å
319A51.9Low51.9Low52 Ų52105.8 Ų105.843%0.4359%0.586SS.*Hα-helixtrans-119.5-21.2-173.100000114.4Q316 I317Q316-A319 PolarHBondContact O-N 3.19Å; I317-A319 VanDerWaalsContact C-N 3.26Å; I317-A319 PolarHBondContact O-N 3.4Å
320I54.8Low50.8Low61 Ų61107.6 Ų107.631%0.31360%0.599SS.*Hα-helixtrans-88.3-37.4-178.2-67.8177.9000112.1Q316 L322 R323 T324Q316-I320 HydrophobicContact CB-CD1 3.77Å; Q316-I320 HydrophobicContact CB-CG1 4.2Å; Q316-I320 HydrophobicContact CG-CD1 3.87Å; Q316-I320 HydrophobicContact CG-CG1 4.07Å; Q316-I320 WeakPolarHBondContact O-CG1 3.37Å; Q316-I320 PolarHBondContact O-N 3.16Å; I320-L322 PolarHBondContact O-N 2.97Å; I320-R323 PolarHBondContact O-N 3.05Å; I320-T324 HydrophobicContact CG2-CG2 3.81Å; I320-T324 PolarHBondContact O-N 3.37Å; I320-T324 VanDerWaalsContact O-N 3.1Å; I320-T324 PolarHBondContact O-OG1 3.48Å
321N50.8Low49.8Very low105 Ų105112.4 Ų112.456%0.56162%0.621SS**THydrogen-bonded Turntrans-59.1-22.4-175.2-77.2-6.2000114.2
322L53.6Low48.9Very low165 Ų165114.5 Ų114.586%0.86463%0.633SS**THydrogen-bonded Turntrans-92.20.6175.5-134.776.2000114.2I320I320-L322 PolarHBondContact O-N 2.97Å
323R51.5Low48.3Very low191 Ų191111.7 Ų111.772%0.72165%0.645SS**THydrogen-bonded Turntrans-122.4-34.6-175.1-72.2-175.6173.1-178.7-1114.3I320 G326I320-R323 PolarHBondContact O-N 3.05Å; R323-G326 PolarHBondContact O-N 3.48Å
324T47.3Very low47.4Very low74 Ų74112.5 Ų112.545%0.45466%0.663SS.*G310 helixtrans-66.7-36.1175.831.90000112.8I320 G326 L327I320-T324 HydrophobicContact CG2-CG2 3.81Å; I320-T324 PolarHBondContact O-N 3.37Å; I320-T324 VanDerWaalsContact O-N 3.1Å; I320-T324 PolarHBondContact O-OG1 3.48Å; T324-G326 PolarHBondContact O-N 3.46Å; T324-L327 PolarHBondContact O-N 3.14Å
325L50.9Low46.7Very low144 Ų144116.1 Ų116.175%0.75467%0.671SS**G310 helixtrans-66.8-21.5176.5-64.4176.9000113.5
326G46.9Very low45.8Very low54 Ų54113 Ų11356%0.55767%0.669SS**G310 helixtrans-87.5-10.1179.400000115.3R323 T324R323-G326 PolarHBondContact O-N 3.48Å; T324-G326 PolarHBondContact O-N 3.46Å
327L51.7Low45.1Very low137 Ų137119 Ų11972%0.71769%0.693SS**THydrogen-bonded Turntrans-111.3-7.1-171.5-74.5169.3000114.6T324T324-L327 PolarHBondContact O-N 3.14Å
328L42.7Very low44.6Very low160 Ų160120 Ų12084%0.83871%0.707SS**SBendtrans-92.24177.3-65.7174.1000113.6
329S43.8Very low43.6Very low111 Ų111118.5 Ų118.578%0.77671%0.709SS**SBendtrans-110.37.6-171.8-149.60000114.6
330S37.6Very low42.8Very low86 Ų86125.6 Ų125.660%0.60173%0.733SS**  trans-146.883.5-175.248.40000113.2
331L36.3Very low41.6Very low169 Ų169128 Ų12889%0.88576%0.756SS**  trans-114.799.6170.8-169.678.2000110.8
332P38.3Very low40.7Very low116 Ų116134.6 Ų134.675%0.75377%0.772SS**  trans-83.2121.4169.4-2.621.4000109.9A334P332-A334 PolarHBondContact O-N 3.01Å
333A40.3Very low39.8Very low103 Ų103132.9 Ų132.985%0.85177%0.768SS**  trans-84.5109.4174.400000111
334A34.8Very low39.1Very low98 Ų98129 Ų12981%0.8177%0.768SS**  trans-154.7124.1166.700000111.8P332P332-A334 PolarHBondContact O-N 3.01Å
335L39.3Very low38.9Very low155 Ų155131.6 Ų131.681%0.81279%0.786SS**  trans-105.2127173.9171.869.7000110.1
336P36.8Very low38Very low114 Ų114132.9 Ų132.974%0.7479%0.793SS**PPolyproline II helixtrans-99.2139.7162.433.8-28.3000112.2
337K34.1Very low37.2Very low188 Ų188136.3 Ų136.382%0.81780%0.803SS**PPolyproline II helixtrans-97.7167.9169.8-104.3-178.9178.6178.20110.7
338P42.6Very low36Very low128 Ų128135 Ų13583%0.83181%0.805SS**PPolyproline II helixtrans-79.3149.6-153.530-37000116.1
339G29.7Very low35.3Very low77 Ų77130.7 Ų130.779%0.79480%0.799SS**PPolyproline II helixtrans-101.5162.1168.500000112.9
340Q34.4Very low34.8Very low201 Ų201134.3 Ų134.394%0.93980%0.804SS**PPolyproline II helixtrans-93161.2-163.8-65.3-179.3-6.700115.5
341S29.6Very low34.5Very low113 Ų113137.5 Ų137.579%0.7981%0.809SS**PPolyproline II helixtrans-67.1134.6176.7176.30000113.7
342R32.1Very low34.1Very low243 Ų243135.8 Ų135.892%0.91780%0.8SS**  trans-157152.7145.2-114.7171-169.61695.1112.1
343V35.7Very low33.7Very low128 Ų128137.8 Ų137.878%0.77680%0.8SS**PPolyproline II helixtrans-93.4141-172.7-1790000110.8
344P36.8Very low33.1Very low111 Ų111139 Ų13972%0.72180%0.796SS**PPolyproline II helixtrans-88.5144.2174.834.6-34.1000113.1
345P42.1Very low32.8Very low127 Ų127139.5 Ų139.583%0.82579%0.794SS**PPolyproline II helixtrans-88154.2167.634.8-32.9000112.7
346L31.7Very low32.3Very low172 Ų172135.2 Ų135.290%0.90179%0.788SS**  trans-109.3144.8171.8-67.1164.7000110
347T30.3Very low31.9Very low126 Ų126136.3 Ų136.377%0.77379%0.792SS**  trans-175.7149.2143.6-178.20000113.1
348S27.6Very low31.8Very low109 Ų109139 Ų13976%0.76280%0.797SS**  trans41.9137.1149.457.20000122.2
349G27.9Very low31.3Very low69 Ų69144.3 Ų144.371%0.71180%0.8SS**  cis138.4146.3-5.800000114.2
350Q32.1Very low31.3Very low188 Ų188146.7 Ų146.788%0.87980%0.799SS**  trans66.7155.3164.8-76.2173.8-8.900117.3
351Q31Very low31.2Very low152 Ų152141.5 Ų141.571%0.7179%0.786SS**  cis-165.7135.2-10.1159.8176.3-30.100113.9
352L28.4Very low31.4Very low133 Ų133143.9 Ų143.970%0.69679%0.789SS**  trans67.3155.1150.6-151.166000122.8
353Q31.1Very low31.2Very low158 Ų158137.9 Ų137.974%0.73878%0.784SS**  trans84.4146.9172.9-46.8-62.912.100115.5
354V27Very low31.6Very low129 Ų129139.1 Ų139.178%0.78279%0.786SS**  cis-149.2-177.9-3.189.90000112.5
355S27.6Very low31.4Very low108 Ų108142.8 Ų142.876%0.75579%0.79SS**  trans-59.2150.9172.8-172.80000114.8
356G28.8Very low31.2Very low66 Ų66144.8 Ų144.868%0.6879%0.788SS**  cis164.8-174.9-4.100000114.6
357V30.2Very low31.5Very low136 Ų136144.8 Ų144.882%0.82478%0.784SS**  trans61.288.4164.2-165.30000119.2
358R32Very low31.4Very low245 Ų245142.1 Ų142.193%0.92578%0.781SS**  -165.6163.6115-106.6172.2-172.3-165.61.6112.3
359R30.3Very low31.9Very low239 Ų239143.2 Ų143.290%0.90278%0.783SS**  trans-78.8156.9-178.3-46.8172.6-156.61405.6108.6
360T31.6Very low32.4Very low127 Ų127145.2 Ų145.278%0.77978%0.783SS**  -156.1171.463.450.80000115.3
361S31.9Very low32.6Very low93 Ų93144.3 Ų144.365%0.6578%0.783SS**  trans69.9115.6148.349.60000121.2
362N32.9Very low32.7Very low163 Ų163141.9 Ų141.987%0.87278%0.783SS**  trans78.775.2136.9-55.73.5000118.7
363S28.5Very low33.1Very low116 Ų116144 Ų14481%0.81179%0.794SS**  trans-101112.3162.257.80000112.2
364L43Very low32.9Very low155 Ų155144.9 Ų144.981%0.81280%0.798SS**  trans-153.595.8137.3-15370.9000110.6
365K32.8Very low33.2Very low187 Ų187149.8 Ų149.881%0.81380%0.802SS**  trans-100.4135.7160.9-67.2-178.3179.6-179.70107.5
366H38.1Very low33.2Very low169 Ų169149.9 Ų149.978%0.78280%0.803SS**  trans-122.4128.3151.9-80.196.4000107.6
367Q37.4Very low33.3Very low173 Ų173152.7 Ų152.781%0.80881%0.807SS**  trans-75.1146.8-175.9-150.587.1-13.600109.5
368G30.3Very low33.4Very low69 Ų69153.3 Ų153.371%0.71181%0.805SS**  trans-78.2169.5178.900000114.2
369V36.3Very low33.2Very low132 Ų132149 Ų14980%0.880%0.795SS**  trans-123128.8167.51780000107.9
370P39.7Very low33.2Very low111 Ų111147 Ų14772%0.72179%0.793SS**  trans-78.2137.6175.831.9-33.2000110.7
371I35Very low33.1Very low170 Ų170148.4 Ų148.487%0.87279%0.789SS**  trans-96.6103168.4-59.8179.6000107.8
372S33.7Very low32.8Very low100 Ų100154.7 Ų154.770%0.69980%0.798SS**  trans-69.8142.8171-650000110.8E374S372-E374 PolarHBondContact O-N 3.43Å
373L36.8Very low32.5Very low179 Ų179159.1 Ų159.194%0.93780%0.802SS**  trans-77.183.7175.8-173.176.6000110.4
374E28Very low32.6Very low175 Ų175160.5 Ų160.582%0.81880%0.801SS**  trans-80.4123-177-168.6163.6-123.800112.6S372 S376S372-E374 PolarHBondContact O-N 3.43Å; E374-S376 PolarHBondContact O-N 3.23Å
375R31.6Very low32.4Very low232 Ų232158.2 Ų158.288%0.87580%0.795SS**  trans-82.8100.4168.8-79-178.6169.1132.7-7.2109.5V377R375-V377 VanDerWaalsContact C-N 3.34Å; R375-V377 PolarHBondContact O-N 3.48Å
376S28.2Very low32.4Very low110 Ų110157.6 Ų157.677%0.76980%0.795SS**  trans-7879.4171.243.70000112.1E374 L378E374-S376 PolarHBondContact O-N 3.23Å; S376-L378 PolarHBondContact O-N 3.26Å
377V32.1Very low32.1Very low126 Ų126156 Ų15676%0.76479%0.788SS**  trans-73.3114.3156.4175.70000107.3R375R375-V377 VanDerWaalsContact C-N 3.34Å; R375-V377 PolarHBondContact O-N 3.48Å
378L31.7Very low32Very low149 Ų149157.8 Ų157.878%0.7879%0.788SS**  trans-106.788.6177.3-154.283.2000110.6S376S376-L378 PolarHBondContact O-N 3.26Å
379E27.9Very low32.4Very low155 Ų155159.9 Ų159.972%0.72479%0.788SS**  trans-67.3139.3155-72.7-163.9167.600109.1
380F30.2Very low31.9Very low197 Ų197158 Ų15886%0.86478%0.782SS**  trans-135141.6154.9-125.6-87.6000110.4
381K28.4Very low31.5Very low156 Ų156161.6 Ų161.668%0.67879%0.788SS**  trans-121.3120-147.7-170.6168.1-174.4162.60113.2
382R26.2Very low31.7Very low225 Ų225164.4 Ų164.485%0.84979%0.788SS**  trans52123.2163.6-62.3-175.4-173.7179.11.3118.5
383R26.3Very low32Very low255 Ų255165.3 Ų165.396%0.96279%0.791SS**  -148133.9127.2-129.2174.3-172.5154.72.4110.5
384D30.4Very low31.6Very low146 Ų146162.5 Ų162.578%0.78178%0.781SS**  trans-125.5162.7168.3-117.8-36.5000105.1
385P39.5Very low31.8Very low106 Ų106159.5 Ų159.569%0.68878%0.78SS**  cis-140.7170.737.442.4-24.9000117.8
386E33.3Very low31.6Very low175 Ų175154.2 Ų154.282%0.81878%0.778SS**  trans59.9151.7156.2-71.3-174.6131.200118.6
387E30.7Very low31.6Very low135 Ų135153.4 Ų153.463%0.63178%0.778SS**  cis-151.3136.77.4-153.8-153.2141.300112
388R35.3Very low32Very low211 Ų211155.3 Ų155.380%0.79678%0.782SS**  trans57166.9154.9-80.3-172.8-179.191.75.4120.4
389P38Very low32.6Very low112 Ų112154.2 Ų154.273%0.72778%0.784SS**  trans-117168.1-150.942.7-34.9000116.4
390S27.1Very low32.8Very low94 Ų94152.1 Ų152.166%0.65779%0.787SS**  167.2156.9106.259.40000116.9
391H31.4Very low32.6Very low185 Ų185148.5 Ų148.586%0.85679%0.786SS**  trans68.5159.4156-61.2-52.2000122.7
392R39.1Very low33.1Very low230 Ų230150.9 Ų150.987%0.86879%0.791SS**  trans-81.7156.9-177.6-60.4171.8173.5157.9-5.5111.5
393P39.6Very low33.8Very low119 Ų119146.2 Ų146.277%0.77379%0.789SS**  -135.5164.4101.939.6-29.3000111.4
394V28.1Very low34.2Very low120 Ų120144.1 Ų144.173%0.72778%0.781SS**  cis76.3104.535.5-175.60000114.3
395S31.6Very low34.9Very low112 Ų112142.2 Ų142.278%0.78378%0.777SS**  trans23.3133.5152.6-52.10000122.1
396S28.6Very low34.6Very low121 Ų121148.3 Ų148.385%0.84679%0.786SS**  178.9171.4120.349.20000115.1
397A28.7Very low34.9Very low93 Ų93151.2 Ų151.277%0.76979%0.79SS**  trans78.194.1149.900000121.4
398I39.8Very low34.8Very low166 Ų166148.5 Ų148.585%0.85179%0.791SS**  trans-74.9142.6149.5-68.9155.9000107.9
399P43.6Very low34.6Very low125 Ų125146.2 Ų146.281%0.81279%0.793SS**  -148.5157.69937.1-17.9000118.3
400S32.5Very low34.4Very low112 Ų112148.6 Ų148.678%0.78380%0.795SS**  trans-82151174.6171.90000112.7
401S27.2Very low34.6Very low121 Ų121153.1 Ų153.185%0.84681%0.806SS**  trans-139.1149.9153.366.60000110.8
402R38.2Very low34.5Very low206 Ų206149.9 Ų149.978%0.77780%0.803SS**  trans-126.9147.6-174.9-145.4-174-159.5178.19.6108.8
403P40.4Very low33.9Very low126 Ų126145.2 Ų145.282%0.81881%0.806SS**  -137.6172.6123.723.9-4.8000114.4
404R35Very low33.5Very low211 Ų211144.9 Ų144.980%0.79681%0.807SS**  trans-141.4158.5173.8-124.1-177.6-174-175.42.1105.9
405P45.8Very low33.5Very low107 Ų107145.1 Ų145.170%0.69581%0.814SS**  -162.7175.298.743.1-24.1000118.2
406R33.1Very low33.7Very low233 Ų233147.9 Ų147.988%0.87982%0.819SS**  trans69146.3162.5-66.3170.4-176.3-177.10.8116.6
407R38.8Very low33.8Very low236 Ų236146 Ų14689%0.89181%0.806SS**  cis-154.9166.4-9.9-129.4-170.5167.3175.4-3.7107.1
408A28.4Very low34Very low79 Ų79152.2 Ų152.265%0.65381%0.809SS**  cis-123.5-116.2-600000110.3
409L30.6Very low33.6Very low163 Ų163152.5 Ų152.585%0.85381%0.807SS**  cis-152.1166.7-4.9-171.453.7000109.3
410E35.1Very low33Very low161 Ų161153.2 Ų153.275%0.75280%0.803SS**  trans-93.1136.9-174-66.4-65.313900114
411Q31.6Very low33.1Very low190 Ų190156 Ų15689%0.88880%0.804SS**  176.8148.4100.1-91.2-172.3-7.300111.1
412S29.1Very low33.4Very low116 Ų116155.4 Ų155.481%0.81180%0.8SS**  trans-116.9148.3-177-63.70000112.3
413S27.2Very low33.2Very low132 Ų132150.8 Ų150.892%0.92381%0.805SS**  trans-165.5145.5142.2-86.50000112
414S30.2Very low33Very low113 Ų113155.4 Ų155.479%0.7981%0.806SS**  trans-130.6152.3177.759.30000110.3
415S27.4Very low33.4Very low124 Ų124156.8 Ų156.887%0.86781%0.812SS**  trans-159.7143.1161.1-84.70000111.6
416L36.4Very low33.2Very low171 Ų171162.5 Ų162.590%0.89582%0.819SS**  trans-89.3172.4175.9-67.5128.5000109
417S31Very low33.4Very low81 Ų81158.7 Ų158.757%0.56682%0.817SS**  cis-174.8145.542.150.50000114
418R32.3Very low34.4Very low224 Ų224153 Ų15385%0.84581%0.81SS**  166.5136.2117.8-94.7179.3-80.1-94.92.2111.8
419Q32.8Very low35.4Very low171 Ų171154.5 Ų154.580%0.79981%0.813SS**  trans-71.4151.1158-67.598.3-60.100110.7
420L30.6Very low36Very low140 Ų140152.3 Ų152.373%0.73381%0.809SS**  -165.2143108.9-140.564000115.4
421Q34.8Very low37Very low172 Ų172155.9 Ų155.980%0.80482%0.815SS**  trans69.2143.2145.7-92.6161.11500123.6
422S32.4Very low37.3Very low108 Ų108154.3 Ų154.376%0.75581%0.813SS**  trans-74.1141.117951.20000113.7R424S422-R424 PolarHBondContact O-N 3.35Å; S422-R424 VanDerWaalsContact O-N 3.13Å
423A33.4Very low37.9Very low108 Ų108156.7 Ų156.789%0.89382%0.816SS**  trans-70.2104.217600000112.9
424R37.1Very low38.9Very low224 Ų224158.1 Ų158.185%0.84581%0.812SS**  trans-85.4118.1164.7-171.1179.2-173.5-140.31.1109.2S422 R426S422-R424 PolarHBondContact O-N 3.35Å; S422-R424 VanDerWaalsContact O-N 3.13Å; R424-R426 PolarHBondContact O-N 3.49Å
425R42.9Very low39.1Very low240 Ų240158.3 Ų158.391%0.90681%0.811SS**  trans-54.8127.3-178.9-68.2179.9177.7-111.33.4112
426R42.3Very low39.4Very low226 Ų226160.7 Ų160.785%0.85381%0.813SS**  trans-144.5135.3160.1-96.8-174.7166173-5.8108.1R424R424-R426 PolarHBondContact O-N 3.49Å
427N36.7Very low39.5Very low154 Ų154158.5 Ų158.582%0.82481%0.806SS**PPolyproline II helixtrans-80.1145.8178.2-59.1-15.2000109.8
428P59.7Low39.8Very low115 Ų115160.7 Ų160.775%0.74782%0.818SS**PPolyproline II helixtrans-72.4151.316831.8-34.1000110.8
429P50.4Low39.7Very low111 Ų111155.5 Ų155.572%0.72182%0.817SS**PPolyproline II helixtrans-70.6156.7172.130.8-34.9000111.6
430P43.7Very low39.9Very low118 Ų118156 Ų15677%0.76682%0.824SS**PPolyproline II helixtrans-66.1143.7-178.327.7-35.1000112.3
431R54.8Low39.9Very low236 Ų236154.6 Ų154.689%0.89183%0.826SS**PPolyproline II helixtrans-97.5116.8168.4-79.6179.5165.8169.8-5.5109.1
432N37.8Very low39.9Very low157 Ų157156.1 Ų156.184%0.8483%0.833SS**PPolyproline II helixtrans-66.5135169.8-63.5-19.1000109.6
433L41.9Very low39.8Very low165 Ų165155.9 Ų155.986%0.86484%0.837SS**PPolyproline II helixtrans-95.2145.6171.9-63.8176.7000109.5
434L48.8Very low39.7Very low162 Ų162154.5 Ų154.585%0.84883%0.834SS**PPolyproline II helixtrans-87.9143173-66.2173.2000110
435P33.2Very low39.3Very low117 Ų117151 Ų15176%0.7684%0.838SS**PPolyproline II helixtrans-70.5142.4179.129.2-34.6000111.8
436L33.7Very low38.7Very low175 Ų175143.2 Ų143.292%0.91683%0.832SS**  trans-85.1111.7174-69.2167.8000109.7
437V38.6Very low38.2Very low125 Ų125136.2 Ų136.276%0.75883%0.829SS**  trans-87.7124.7169.6179.10000108.9
438P37.2Very low37.9Very low126 Ų126138.8 Ų138.882%0.81883%0.829SS**  trans-81.8127.117128.5-24.5000110.2
439S31.5Very low37.1Very low116 Ų116139.6 Ų139.681%0.81183%0.827SS**  trans-127.3132.1168.4550000110.7
440L36Very low36.4Very low181 Ų181140.3 Ų140.395%0.94882%0.824SS**  trans-91.9144.3-172.3-170.967.1000110.7
441S31.1Very low36.1Very low111 Ų111142.2 Ų142.278%0.77682%0.823SS**  trans-78.7127178-52.60000112.7
442Q35.1Very low35.3Very low204 Ų204137 Ų13795%0.95382%0.817SS**  trans-158.5171.2138.7-120170.8-3.400112.3
443A30.8Very low35.6Very low103 Ų103136.7 Ų136.785%0.85181%0.814SS**  trans-120.2158.5-17300000111.3
444G30.8Very low35.4Very low79 Ų79140.2 Ų140.281%0.81482%0.816SS**  trans176.1120.9174.900000114
445T29Very low34.7Very low151 Ų151135.8 Ų135.893%0.92681%0.809SS**  trans-93.1128.4-173.5-56.90000113.5
446G29.5Very low34.9Very low76 Ų76137.4 Ų137.478%0.78482%0.817SS**  trans85151.4136.200000121.3
447G32.1Very low35.2Very low78 Ų78138.2 Ų138.280%0.80481%0.808SS**  trans88.6119.117600000113.2
448Y30.7Very low35.1Very low208 Ų208140.5 Ų140.582%0.81682%0.815SS**  cis8390.919.9-164.4-96.6000117.3
449L42Very low34.9Very low133 Ų133138.5 Ų138.570%0.69680%0.801SS**  trans159.5126.4142.2-82.6170.1000105.5
450D35.3Very low35.1Very low125 Ų125139.7 Ų139.767%0.66880%0.803SS**  cis78.113247.5-15352.5000111.6
451E37.7Very low35Very low158 Ų158135.2 Ų135.274%0.73879%0.792SS**  cis-147.9-160.413.4-155.2-174.8-163.200111.5
452V38.3Very low35.1Very low126 Ų126134.4 Ų134.476%0.76479%0.786SS**  trans69.3133.8169.5-106.90000117.6
453I44.1Very low34.9Very low151 Ų151129.9 Ų129.977%0.77477%0.769SS**  cis-140116.925.5-62175.9000114.6
454R37.8Very low35.1Very low240 Ų240135.1 Ų135.191%0.90677%0.767SS**  trans49.3121137.2-175.5-175.9-82.5-113.2-2.1123.4
455G34.3Very low35.4Very low69 Ų69139 Ų13971%0.71177%0.768SS**  trans116.4141.7136.600000116.9
456T38.4Very low35.3Very low151 Ų151137.6 Ų137.693%0.92676%0.759SS**  cis-151.4156.7-7.6-59.70000109.4
457R39.3Very low35.2Very low191 Ų191139 Ų13972%0.72176%0.757SS**  trans-108.3142.4-165171.2-169.3170.5-159.7-1.1114.7T459R457-T459 HydrophobicContact CG-CG2 4.06Å; R457-T459 PolarHBondContact NE-OG1 3.07Å; R457-T459 PolarHBondContact NH2-OG1 3.43Å
458L35.2Very low35.9Very low174 Ų174140.6 Ų140.691%0.91175%0.753SS**  trans-143.6159.3140.6-79.7-172000111.1
459T34.2Very low36Very low84 Ų84137.7 Ų137.752%0.51575%0.751SS.*  trans-154.3175.2-163.548.60000114.9R457R457-T459 HydrophobicContact CG-CG2 4.06Å; R457-T459 PolarHBondContact NE-OG1 3.07Å; R457-T459 PolarHBondContact NH2-OG1 3.43Å
460T35.4Very low35.7Very low141 Ų141137.1 Ų137.187%0.86575%0.753SS**  trans79.9154.4-168.779.70000112
461A33.2Very low35.5Very low87 Ų87135.8 Ų135.872%0.71976%0.759SS**  cis-157.9171.94.200000108.3
462S34.8Very low35.3Very low93 Ų93136.2 Ų136.265%0.6577%0.766SS**  cis178.9149.4-22.5-890000107.3
463D30.2Very low35.3Very low109 Ų109136.1 Ų136.158%0.58377%0.771SS**  cis-168.4138.8-14.9-111.8-68.6000109.9
464R35.3Very low34.9Very low213 Ų213139.3 Ų139.380%0.80477%0.773SS**  trans83.5171.8136.2-70.3166.7-165.4-126.1-4123.8
465L36.5Very low34.7Very low161 Ų161134.4 Ų134.484%0.84377%0.765SS**  trans82.1134.7177-47.1-177.7000115.2
466T28Very low34.9Very low121 Ų121137.2 Ų137.274%0.74277%0.768SS**  cis-160.9147.2-18.9-81.50000108.3
467S26.5Very low35.3Very low106 Ų106135.4 Ų135.474%0.74176%0.759SS**  trans-114.3-179.4171.4-39.10000110.1
468P47.3Very low35.5Very low111 Ų111133.9 Ų133.972%0.72176%0.764SS**  cis-142.6-154.1127.31.4000114
469L33.4Very low35.9Very low148 Ų148130.9 Ų130.978%0.77576%0.755SS**  trans96.3103.7149-65.7165.2000122.9
470V34.5Very low36.4Very low121 Ų121133 Ų13373%0.73377%0.771SS**  46.3125.11121780000121
471A31Very low36.7Very low97 Ų97134.7 Ų134.780%0.80277%0.773SS**  -153.4143.1129.600000111.9
472L34Very low36.9Very low166 Ų166133.3 Ų133.387%0.86977%0.767SS**  trans-87151.4169.7-80.565.7000110.4
473S37.2Very low37Very low125 Ų125135.8 Ų135.887%0.87478%0.778SS**  trans-158.1162.7133.6-162.90000111.3
474R37Very low37.1Very low218 Ų218134.2 Ų134.282%0.82379%0.787SS**  trans-143.5148.3-172.7-143.5-172.9-173.9178.30.9110.1
475N33.8Very low37.1Very low137 Ų137132.3 Ų132.373%0.73379%0.793SS**  trans89132.5162.8-45.6-32.5000119.6
476T38.1Very low37.1Very low128 Ų128127.7 Ų127.779%0.78579%0.785SS**  trans-33.8155.8148.642.40000115.6
477P46.1Very low37.3Very low112 Ų112131.4 Ų131.473%0.72779%0.793SS**  -153.2165.254.742-21.5000121
478L43.6Very low37.8Very low160 Ų160131.6 Ų131.684%0.83880%0.795SS**  trans47.8144.9146.9-65.1171.9000122.9
479P44Very low37.6Very low111 Ų111132 Ų13272%0.72180%0.797SS**  trans-88.9148.9172.136.3-34000113.5
480P45.3Very low37.6Very low129 Ų129133.6 Ų133.684%0.83880%0.801SS**  trans-85.8163.1173.435-35.1000113.6
481I40.4Very low38.2Very low176 Ų176134 Ų13490%0.90381%0.806SS**  trans-128.2142176.6-64.9173.1000110
482G37.5Very low38.2Very low58 Ų58132.6 Ų132.660%0.59880%0.801SS**  trans168.6170.6155.200000112.8
483T37Very low38.1Very low145 Ų145132.3 Ų132.389%0.8980%0.799SS**  cis176.2139-29.619.80000106.3
484G33.8Very low38.1Very low75 Ų75133.4 Ų133.477%0.77380%0.795SS**  trans93.9129-17800000112.2
485D34Very low37.9Very low174 Ų174126.9 Ų126.993%0.9378%0.782SS**  cis108.9144.625-170.730.8000111.9
486G36.2Very low38Very low64 Ų64129.7 Ų129.766%0.6679%0.788SS**  trans131.575.9179.200000118
487E31.9Very low37.6Very low198 Ų198129.9 Ų129.993%0.92578%0.783SS**  trans33.7177.7141.5-53.7-163127.400124.4
488S37.9Very low37Very low111 Ų111131 Ų13178%0.77679%0.788SS**  trans-108.7176.6-164.381.70000113.2
489P42.5Very low36.6Very low119 Ų119130.6 Ų130.677%0.77378%0.782SS**  -151.9-169.550.241.7-17.7000118.9
490H34.5Very low36Very low182 Ų182134.2 Ų134.284%0.84378%0.781SS**  trans-72.6-175.1175.7-75.2-21.7000114.8
491P46.2Very low35.4Very low129 Ų129134.7 Ų134.784%0.83877%0.772SS**  cis-151.117821.245.1-23.8000121.5
492G30.9Very low35.1Very low68 Ų68135.5 Ų135.570%0.70177%0.77SS**  trans123.5138157.100000115.4
493L32.5Very low34.9Very low159 Ų159136.2 Ų136.283%0.83278%0.776SS**  cis-156.7150.4-1.7-147.889.7000111.3
494L36.6Very low35.6Very low149 Ų149135.4 Ų135.478%0.7877%0.774SS**  trans14.7155.6159.4-83.782.5000123.2
495S33.3Very low35.6Very low80 Ų80137.2 Ų137.256%0.55978%0.775SS**  cis178.3152.8-15.258.50000114.1
496K35.8Very low35.6Very low196 Ų196134.6 Ų134.685%0.85277%0.77SS**  trans60.4158150.4-66.8163.6-176.6177.10118.9
497L30.5Very low35.5Very low132 Ų132143.8 Ų143.869%0.69179%0.785SS**  cis152.6111.3-28.6167.262.8000108.7
498T33.8Very low35.6Very low136 Ų136138.6 Ų138.683%0.83478%0.776SS**  trans177.2139.7151.524.90000108.4
499Q34.1Very low35.7Very low151 Ų151142.6 Ų142.671%0.70678%0.782SS**  cis82.5121.514.9-151.3172.8-37.300113.5
500R32.1Very low35.2Very low187 Ų187142.6 Ų142.671%0.70679%0.785SS**  cis-164.6149.712.3-136.5-171.4165.4-136.24.5113.8
501Q31.8Very low35.1Very low139 Ų139138.4 Ų138.465%0.6578%0.782SS**  trans61.4176.6154.1-45.6-145-5400118.1
502K33.9Very low34.5Very low194 Ų194140.9 Ų140.984%0.84379%0.787SS**  cis-159.5130.813-167.1-176.9178.7-174.10115.7
503G32.7Very low34.6Very low72 Ų72145.3 Ų145.374%0.74279%0.789SS**  trans89.4164.7137.400000120.7
504P52.2Low34.6Very low128 Ų128144.4 Ų144.483%0.83179%0.785SS**  trans-136.8165.3-168.243.2-26000117.9
505S34.6Very low34.6Very low114 Ų114144.5 Ų144.580%0.79778%0.781SS**  trans178.5141.5147.546.70000108.1
506S34.6Very low34.6Very low119 Ų119143.4 Ų143.483%0.83278%0.777SS**  68.1103.455.6-1690000115.4
507R34.3Very low34.4Very low256 Ų256142.8 Ų142.897%0.96678%0.777SS**  trans-159.9165.4140.4-144.3159.3-164.8147.86.5111.7
508A33Very low34.4Very low89 Ų89141.5 Ų141.574%0.73678%0.779SS**  trans-116.4-178-168.500000113.7
509H39.6Very low34.4Very low195 Ų195140.4 Ų140.490%0.90378%0.777SS**  trans-61152.4176.9-53.8-99.1000114
510S31.8Very low34.5Very low120 Ų120140 Ų14084%0.83979%0.785SS**  trans-154.5139.8155.354.30000109.8
511A32.1Very low35.1Very low94 Ų94136.4 Ų136.478%0.77779%0.786SS**  trans-87.7168.7174.300000111.7
512L34.3Very low35.3Very low180 Ų180141.1 Ų141.194%0.94280%0.798SS**  trans-134.7157.7161.9-74.5177.8000110.1
513H33.3Very low35.2Very low162 Ų162138.2 Ų138.275%0.7579%0.791SS**  trans-129.1-176.5-178-175.4-88.3000108
514D31.6Very low35.3Very low140 Ų140145.1 Ų145.175%0.74980%0.795SS**  trans87.7153.8175.4-624.5000115.3
515E37.9Very low34.5Very low151 Ų151145 Ų14571%0.70678%0.783SS**  cis-176175.7-34.5-114.8-61.880.400105.6
516A32.8Very low34.8Very low57 Ų57148.1 Ų148.147%0.47179%0.785SS.*  cis-151.9146.80.200000111.7
517Q31.6Very low34.8Very low183 Ų183150.6 Ų150.686%0.85579%0.787SS**  trans61.2163.2156.9-62.4157.742.400116.1
518S30.4Very low35.2Very low105 Ų105145.8 Ų145.873%0.73478%0.779SS**  cis-145.3154-27.956.50000106.9
519S34.4Very low35.5Very low113 Ų113149.1 Ų149.179%0.7979%0.785SS**  170.5153.498.7480000111.4
520V35.7Very low35.5Very low143 Ų143145.4 Ų145.487%0.86778%0.775SS**  trans-147.6133.6177.3178.70000103.9
521P45.6Very low35.7Very low111 Ų111148.5 Ų148.572%0.72177%0.774SS**  -149.9153.553.339-18.6000118.6
522R34.5Very low35.8Very low238 Ų238149.8 Ų149.890%0.89878%0.778SS**  177.1118.5105.9-98.2-167.8178.4-158.50.4113.4
523D31.3Very low36.5Very low133 Ų133152.9 Ų152.971%0.71178%0.777SS**  trans-13.9120.1145.6175.527.4000117.2
524R36Very low36.9Very low216 Ų216151.5 Ų151.582%0.81578%0.782SS**  trans-163.788136.2-117.9-171.9166.7158-0.3115.2
525H36.2Very low37Very low127 Ų127151.8 Ų151.859%0.58878%0.784SS**  trans58.4153.9151.7-40.5-47.7000122.3
526H39Very low37.3Very low179 Ų179150.5 Ų150.583%0.82979%0.786SS**  trans66.993.1166.1-57108.6000118.6
527I35.4Very low37.7Very low171 Ų171153.6 Ų153.688%0.87780%0.8SS**  trans-74.7124.5151.1-62.4169.1000107.8
528L43.6Very low38Very low155 Ų155152.5 Ų152.581%0.81279%0.794SS**  trans-131.2141.9159.2-140.178.8000108.4
529D38Very low38.5Very low159 Ų159153.3 Ų153.385%0.8580%0.795SS**  trans-73132.2-163.4-170.716.7000113.4
530V39.3Very low38.6Very low116 Ų116157.5 Ų157.570%0.70380%0.795SS**  trans-112.187.8-172.4-179.50000110.2
531F36.8Very low38.7Very low186 Ų186161.6 Ų161.682%0.81680%0.795SS**  trans47.6107.9162.2-55.9-78.1000119
532S33.2Very low38.3Very low121 Ų121161.5 Ų161.585%0.84680%0.796SS**  trans-16286.9134.1-87.30000113.2
533R49Very low38.4Very low244 Ų244157.9 Ų157.992%0.92180%0.795SS**  trans-131.1117.2161.9-72.1-169.8-179.8-138.31.4109.7
534P42.4Very low38.9Very low134 Ų134157.4 Ų157.487%0.8780%0.797SS**  trans-64.8138.3171.8-21.734.3000111.4
535N33.3Very low39.4Very low145 Ų145153.6 Ų153.678%0.77580%0.8SS**  trans-87.9146.8-173-17114.8000112.8
536T44.8Very low39.1Very low124 Ų124158.1 Ų158.176%0.76181%0.814SS**  trans-102.6109.2172.551.70000111.6
537T40.2Very low38.8Very low123 Ų123160.2 Ų160.276%0.75581%0.814SS**  trans176.8134.2146.219.90000111.3
538H39.2Very low38.6Very low159 Ų159156.6 Ų156.674%0.73680%0.804SS**  trans-149.283.9158.5-175.3-81000110.3Y540H538-Y540 AromaticContact CE1-CD2 3.82Å; H538-Y540 AromaticContact CE1-CE2 3.88Å
539T40.7Very low38.3Very low123 Ų123153.4 Ų153.476%0.75580%0.795SS**  trans-89.6122172.5-55.60000109.1R541T539-R541 PolarHBondContact O-N 2.91Å
540Y37.1Very low38.1Very low200 Ų200155.5 Ų155.578%0.78480%0.797SS**  trans-57.7130.6172.6-101.5-100.4000110.7H538H538-Y540 AromaticContact CE1-CD2 3.82Å; H538-Y540 AromaticContact CE1-CE2 3.88Å
541R37Very low38.1Very low230 Ų230156.2 Ų156.287%0.86880%0.801SS**  trans-107.2138158.9-82-171.8162.1-157.1-5108.7T539T539-R541 PolarHBondContact O-N 2.91Å
542S37.8Very low37.8Very low108 Ų108154.3 Ų154.376%0.75581%0.805SS**  trans-99.2119.5175-53.80000108.8
543D36.2Very low38.4Very low163 Ų163155.9 Ų155.987%0.87280%0.803SS**  trans-72.9131.5175.5-66.1-47000111
544T41.9Very low37.7Very low123 Ų123151.3 Ų151.376%0.75580%0.796SS**  trans-127.9117.117254.30000110.1
545P45.9Very low37.3Very low135 Ų135151 Ų15188%0.87779%0.788SS**  trans-75.9126.6176.929.8-32.8000111.1
546Y30.5Very low37.3Very low222 Ų222151.8 Ų151.887%0.87179%0.79SS**  trans-80.6136.9-176.8-159.1-96.6000111.6
547R32.1Very low36.8Very low224 Ų224148.6 Ų148.685%0.84578%0.782SS**  trans-147.6138164-151.4178.1-167.3-78.70.2111.1
548S31.4Very low36.7Very low95 Ų95152.1 Ų152.166%0.66479%0.789SS**  trans-123.8138.8-171176.40000112.2
549S36.8Very low36.3Very low87 Ų87147.7 Ų147.761%0.60879%0.787SS**  trans158.3143.1168.650.90000109.1
550F33.5Very low36.1Very low204 Ų204153.9 Ų153.990%0.89580%0.797SS**  cis-162166.7-14.4-115.5-63.7000107.5
551T39.8Very low36.8Very low130 Ų130150.2 Ų150.280%0.79880%0.798SS**  trans-105.7155.1-18049.70000113.4
552V30.3Very low36.5Very low147 Ų147142.6 Ų142.689%0.89179%0.79SS**  trans-135.6152169.1177.70000109.6
553L47.2Very low36.2Very low153 Ų153149.9 Ų149.980%0.80180%0.801SS**  trans-137.3147.6-175.4-91.5165.6000110.6
554D32.8Very low35.8Very low148 Ų148147 Ų14779%0.79180%0.8SS**  trans177.5170.7148.6-101.1-9.9000109.3
555N35.4Very low35.3Very low128 Ų128147 Ų14768%0.68481%0.805SS**  178.7159.4-53.8-109.9-46.1000109.3
556I33.7Very low34.6Very low162 Ų162147.2 Ų147.283%0.83180%0.804SS**  trans68.6149.5171.1-61160.9000115
557G32.8Very low34.6Very low56 Ų56140.4 Ų140.458%0.57780%0.801SS**  cis138.5148.3-15.400000116.4
558Q38Very low34.6Very low197 Ų197135.1 Ų135.192%0.92179%0.793SS**  trans74.1151.1176.9-45-60.1-28.600116.3
559G30.5Very low34.7Very low67 Ų67137.8 Ų137.869%0.69180%0.801SS**  cis169.9125.8-12.800000117.4
560R36.6Very low34.5Very low253 Ų253138.9 Ų138.996%0.95581%0.808SS**  trans72.4152.4160.3-97-170.1165.6-130-3.1121.6
561P53.6Low34.6Very low123 Ų123136.3 Ų136.380%0.79980%0.803SS**  trans-116178.9-173.244-34.7000115.3
562G28.7Very low34.3Very low69 Ų69133.7 Ų133.771%0.71180%0.802SS**  trans-167.3117.4169.800000119.5
563R32.9Very low34.6Very low261 Ų261133.9 Ų133.999%0.98580%0.796SS**  trans75.5143.7151.8-61-179177.8-90.9-2120.2
564A27.7Very low33.9Very low102 Ų102130.1 Ų130.184%0.84379%0.794SS**  trans-106.7171.1-175.200000113
565S30.6Very low34.1Very low125 Ų125129.5 Ų129.587%0.87480%0.796SS**  trans-153.7169.4149.4-160.30000111.8
566V32.7Very low34.4Very low139 Ų139130 Ų13084%0.84280%0.804SS**  trans-96.9149.3-175.7175.70000111
567G29.5Very low34.4Very low79 Ų79125.7 Ų125.781%0.81480%0.799SS**  trans-166118.3171.300000113.6
568T32.4Very low34.5Very low112 Ų112129.9 Ų129.969%0.68781%0.813SS**  trans-86.2150.8-175.146.70000114.5
569D33.4Very low34.6Very low152 Ų152124 Ų12481%0.81381%0.805SS**  trans56.9156.3149.4-50-17.5000118.1
570S31.7Very low35Very low109 Ų109129.4 Ų129.476%0.76282%0.817SS**  cis-167.7168.4-7-115.90000106.2
571L36.4Very low34.8Very low150 Ų150120.7 Ų120.779%0.78581%0.806SS**  cis-163.6150.4-2.9167.365.8000106.9I573L571-I573 HydrophobicContact CD1-CD1 3.97Å; L571-I573 HydrophobicContact CD2-CD1 4.22Å; L571-I573 HydrophobicContact CG-CD1 4.01Å
572G32.6Very low34.2Very low75 Ų75123 Ų12377%0.77381%0.81SS**  trans-167111.2174.500000115.2
573I37.4Very low34.2Very low152 Ų152125.7 Ų125.778%0.77982%0.818SS**  trans-88.8138.3-179.1-67.183000110.4L571L571-I573 HydrophobicContact CD1-CD1 3.97Å; L571-I573 HydrophobicContact CD2-CD1 4.22Å; L571-I573 HydrophobicContact CG-CD1 4.01Å
574G32.5Very low34.2Very low74 Ų74119.3 Ų119.376%0.76381%0.813SS**  trans-171.442179.200000116.2
575V36.2Very low34.3Very low135 Ų135119.4 Ų119.482%0.81881%0.808SS**  trans-128.7113.1178.8179.60000111.8
576T43Very low34.7Very low139 Ų139118.5 Ų118.585%0.85380%0.802SS**  trans-144.999.4157.3490000109.5
577G32.9Very low34.6Very low71 Ų71121 Ų12173%0.73280%0.802SS**  trans-91.7147.2161.700000110.2
578V35.7Very low34.9Very low144 Ų144125.2 Ų125.287%0.87380%0.804SS**  trans-143.7122.8167.8-106.60000109.3
579G39.8Very low34.7Very low73 Ų73127.1 Ų127.175%0.75381%0.81SS**  trans-107.1130.7170.800000110.4
580L37.9Very low34.6Very low180 Ų180124.5 Ų124.594%0.94280%0.804SS**  trans-140.4151.9166.3-67.3174.4000106.1
581G33.2Very low34.8Very low70 Ų70129.8 Ų129.872%0.72281%0.809SS**  cis143.8104.67.300000107.4
582I41.6Very low35.1Very low171 Ų171127.5 Ų127.588%0.87780%0.803SS**  trans-68.8144.2-170.852.3170.2000113.1
583S28.6Very low35.2Very low126 Ų126133.3 Ų133.388%0.88181%0.809SS**  trans-161.5134.1153.6-81.20000110.7
584S33Very low34.9Very low128 Ų128135.3 Ų135.390%0.89582%0.815SS**  trans-86.2152.4174.3-52.80000110.9
585S29.2Very low35.3Very low103 Ų103139.9 Ų139.972%0.7282%0.821SS**  trans-151.9141.5164.3-171.30000110.7F587S585-F587 WeakPolarHBondContact OG-CE2 3.4Å
586S38.6Very low35.1Very low107 Ų107142.1 Ų142.175%0.74883%0.828SS**  trans-129.7120.8-179.156.60000109.4
587F31.9Very low34.4Very low192 Ų192138.7 Ų138.784%0.84282%0.82SS**  trans-135.6137.5172.4-80.3-78.1000111.3S585S585-F587 WeakPolarHBondContact OG-CE2 3.4Å
588L34.5Very low35.2Very low167 Ų167141 Ų14187%0.87482%0.822SS**  trans-86.7140.7168.8-67.4164.9000108.4
589D29.1Very low35.1Very low152 Ų152139.3 Ų139.381%0.81382%0.816SS**  trans-84156.2170.8-162.44.4000110.7
590S30.5Very low35.5Very low97 Ų97140.9 Ų140.968%0.67881%0.813SS**  trans-148.3119.4-173.4-720000112.6
591Y35.2Very low35.3Very low220 Ų220139.9 Ų139.986%0.86381%0.807SS**  trans-73.3139.5-179.8-76.6-83.2000113
592P43.8Very low35.4Very low102 Ų102143.2 Ų143.266%0.66280%0.802SS**  trans-97.3143.6178.136.2-33.3000113.5
593H34.4Very low35Very low196 Ų196140.3 Ų140.391%0.90779%0.788SS**  trans-141.8153.9159.7-81-54.6000111.5
594H32.3Very low35.4Very low195 Ų195141.9 Ų141.990%0.90378%0.782SS**  trans-95.6161.7-166.1-85.6-108.9000114.8
595L39.7Very low35.5Very low169 Ų169144.6 Ų144.689%0.88578%0.78SS**  trans-80.4150.4177-68.2162.3000113.8
596L31.3Very low36Very low183 Ų183147.8 Ų147.896%0.95878%0.784SS**  trans-172.5142.6139.4-99.8156.6000109.5
597G29Very low36.3Very low67 Ų67147.7 Ų147.769%0.69178%0.781SS**  trans-111.6-146.7177.200000112.2
598P49.9Very low36.6Very low120 Ų120146.8 Ų146.878%0.77978%0.779SS**  cis-139.6-165-9.439.3-18.9000114.5
599S33.3Very low37.1Very low107 Ų107143.4 Ų143.475%0.74877%0.767SS**  trans86.9164.3160.7-44.50000118.6
600P48Very low37.5Very low106 Ų106145 Ų14569%0.68877%0.769SS**  cis-141.1-176-46.138.7-21.7000115.1
601I34.5Very low38.3Very low160 Ų160145 Ų14582%0.82177%0.77SS**  trans73.6141.7149.4-88.8162.6000118
602K34.3Very low39.1Very low139 Ų139140.7 Ų140.760%0.60477%0.768SS**  cis-166178.2-13.4-162.4-169.6170.4-79.50108.7E604K602-E604 IonicContact NZ-OE1 2.62Å; K602-E604 PolarHBondContact NZ-OE1 3.32Å
603D33.6Very low39.2Very low110 Ų110142 Ų14259%0.58878%0.775SS**  trans78.5117.4163.8-52.3-35.8000115.2
604E36.8Very low39.9Very low160 Ų160137.4 Ų137.475%0.74877%0.77SS**  73.7130.368.2-68.4168.4-150.600111.4K602K602-E604 IonicContact NZ-OE1 2.62Å; K602-E604 PolarHBondContact NZ-OE1 3.32Å
605E34.8Very low40.6Very low185 Ų185131.6 Ų131.686%0.86476%0.763SS**  cis-149.8178.210.1-158.3178.8143.300111
606E39.6Very low40.7Very low169 Ų169136.8 Ų136.879%0.7978%0.783SS**  trans-76.9-176.9169.7-117.9-156.8104.500111.8
607P46.7Very low41.1Very low106 Ų106134.5 Ų134.569%0.68877%0.774SS**  cis-136.7-176.30.543.4-25.7000116.2
608E36.5Very low41.8Very low173 Ų173138 Ų13881%0.80878%0.778SS**  trans-78.8177.1150.7-109.2-159.4169.200110.8
609P46.6Very low41.3Very low95 Ų95139 Ų13962%0.61778%0.778SS**  cis-130.5-175.7-0.931.7-9.8000113.5
610Q37.4Very low41.8Very low185 Ų185140.9 Ų140.986%0.86478%0.78SS**  157.2136.9121.2-83.5-170.316.700112.8
611S47.6Very low41.4Very low98 Ų98143.1 Ų143.169%0.68579%0.786SS**  trans-96.2142.2171.8530000111.5
612P51.9Low41.9Very low129 Ų129141.9 Ų141.984%0.83878%0.784SS**  trans-84.4111.4161.531.4-29000110
613V44.8Very low42.4Very low131 Ų131142.1 Ų142.179%0.79480%0.796SS**  trans-74.1140.9167.7172.20000109.6
614A48.9Very low43.1Very low99 Ų99144.6 Ų144.682%0.81881%0.812SS**  trans-86.1132.1173.900000111.7
615G47.8Very low43.6Very low73 Ų73143.3 Ų143.375%0.75382%0.818SS**  trans149.480.5161.400000117.7
616Q40.7Very low44.4Very low277 Ų277139.5 Ų139.5100%1.29481%0.814SS**  -163.10110.3-103.4177.623.300111.1

Retrieved 616 of 616 residues in 93.8 ms (Link to these results)