A0A087YFA2_POEFO Loading...

Si:dkey-57k2.7

AlphaFold DB , UniProt , Accession A0A087YFA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 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
1M41.3Very low34.5Very low233 Ų233141.9 Ų141.9100%1.14887%0.869SS**  0141.70-82-177.4157.200108
2T35.9Very low34.7Very low152 Ų152140.3 Ų140.393%0.93386%0.863SS**  trans63129.7171.856.90000116.2
3G32.6Very low34.7Very low74 Ų74136.9 Ų136.976%0.76385%0.848SS**  cis-174.5171.18.700000111.1
4D33.7Very low35.3Very low170 Ų170141.7 Ų141.791%0.90985%0.851SS**  trans-55.4147.5-176.9-65.6-79.2000116.3
5A38.7Very low35.1Very low106 Ų106147.5 Ų147.588%0.87685%0.852SS**  trans-139.7112.7148.700000109.7
6K35Very low35.3Very low200 Ų200148.7 Ų148.787%0.8785%0.853SS**  trans-79.7130178.9-139.4173.3-174.3174.80109.1
7G31.1Very low35.4Very low78 Ų78154.1 Ų154.180%0.80486%0.856SS**  trans-144.594.6168.900000109.9
8N31.3Very low35.4Very low160 Ų160152.1 Ų152.186%0.85685%0.851SS**  trans-66.3149.2173.3-85.6-18.4000111.3
9G28Very low35.3Very low67 Ų67154.1 Ų154.169%0.69185%0.85SS**  trans147.285.7147.300000117.4
10T33.1Very low35.2Very low142 Ų142156.8 Ų156.887%0.87185%0.853SS**  trans81105.4138.1-43.40000118.7
11Q38.9Very low35Very low179 Ų179157.9 Ų157.984%0.83685%0.852SS**PPolyproline II helixtrans-61.1148.1166.4-65.4-163-31.100113.1S13Q11-S13 PolarHBondContact O-N 3.49Å
12P36.7Very low34.6Very low123 Ų123154.6 Ų154.680%0.79984%0.839SS**PPolyproline II helixtrans-72.2120.4166.227.9-30.4000110.8K14P12-K14 PolarHBondContact O-N 3.25Å
13S35.1Very low34.3Very low96 Ų96156.5 Ų156.567%0.67184%0.837SS**PPolyproline II helixtrans-56.6118.6173-172.70000111Q11 R15Q11-S13 PolarHBondContact O-N 3.49Å; S13-R15 PolarHBondContact O-N 3.42Å
14K42.6Very low34.6Very low204 Ų204161.7 Ų161.789%0.88784%0.839SS**  trans-66.8106.9164.7-70.3176.6179.1176.80108.1P12P12-K14 PolarHBondContact O-N 3.25Å
15R33.2Very low34.8Very low228 Ų228159.6 Ų159.686%0.8683%0.834SS**  trans-110.5112.3162.2-75.2-170.8-179.3-1700.3109.6S13S13-R15 PolarHBondContact O-N 3.42Å
16L37.9Very low34.3Very low167 Ų167162.4 Ų162.487%0.87483%0.834SS**PPolyproline II helixtrans-64.2134.8179.7-65.9159.7000109.6
17R36.9Very low34.2Very low240 Ų240157.6 Ų157.691%0.90683%0.832SS**PPolyproline II helixtrans-74.9132.1172.5-69.9-179-176.6176.60.7109.4K19R17-K19 PolarHBondContact O-N 2.99Å
18P35.3Very low34.3Very low119 Ų119158.9 Ų158.977%0.77384%0.835SS**PPolyproline II helixtrans-66.4125.2168.2-18.131.8000110
19K34Very low34.4Very low190 Ų190160.1 Ų160.183%0.82684%0.836SS**PPolyproline II helixtrans-78.8119.4177.1-165.3179.7-178-1750107.2R17 E21R17-K19 PolarHBondContact O-N 2.99Å; K19-E21 PolarHBondContact O-N 3Å
20F33.1Very low34.7Very low207 Ų207166.4 Ų166.491%0.90885%0.847SS**  trans-74.4115.3169.3-88.7-91.6000108.4
21E31.5Very low34.6Very low180 Ų180166.4 Ų166.484%0.84184%0.842SS**  trans-80.6127.1167.9-81.8178.2161.500109.4K19K19-E21 PolarHBondContact O-N 3Å
22L32Very low34.2Very low165 Ų165164.6 Ų164.686%0.86484%0.838SS**  trans-93.4110.9175.2-17374.4000107.7
23Q30.3Very low34Very low191 Ų191163.1 Ų163.189%0.89383%0.831SS**PPolyproline II helixtrans-75.1122.1174.1-142.2165.919.900108.8
24K38.4Very low33.9Very low184 Ų184165.7 Ų165.780%0.884%0.836SS**PPolyproline II helixtrans-86143.9172-64.1175.7178.8-1800109
25P38.1Very low33.5Very low125 Ų125163.2 Ų163.281%0.81283%0.832SS**PPolyproline II helixtrans-89.4138.5153.411.56.1000110.3
26D28.8Very low33.5Very low165 Ų165157.7 Ų157.788%0.88283%0.828SS**PPolyproline II helixtrans-64.7149.6179.6-78-46.6000113.6
27A31.6Very low33.3Very low99 Ų99154.7 Ų154.782%0.81882%0.821SS**PPolyproline II helixtrans-93135.2161.600000109
28A34Very low33.2Very low105 Ų105150.4 Ų150.487%0.86882%0.816SS**  trans-145.8111.9152.100000108
29E33.3Very low33.1Very low186 Ų186152.1 Ų152.187%0.86982%0.818SS**  trans-70.3144.4163.3-63178.7156.500109.2
30Q34.2Very low33.2Very low200 Ų200147.5 Ų147.594%0.93581%0.81SS**  trans-156.2127.1136-112.7167.726.800111.4
31D30.8Very low33.2Very low141 Ų141144.4 Ų144.475%0.75480%0.801SS**  trans-58.1148.9171.5-126-20000112.2
32D31Very low33.2Very low142 Ų142144.2 Ų144.276%0.75980%0.8SS**  161.1131103.8-99.1-38.1000113.8
33S32.6Very low33.3Very low92 Ų92144 Ų14464%0.64380%0.799SS**  trans77.998.5135.2-147.90000122.6
34L33.2Very low33.3Very low149 Ų149143.4 Ų143.478%0.7880%0.796SS**  56.1133.8117.3-57.7173.2000123
35L32.4Very low33.1Very low153 Ų153142.8 Ų142.880%0.80180%0.795SS**  trans109.1123.3141-55.2-171.4000118.9
36S33.4Very low32.8Very low111 Ų111144.2 Ų144.278%0.77680%0.796SS**  trans69.4135.9132.8173.10000117.6
37S33.6Very low32.9Very low105 Ų105144.3 Ų144.373%0.73479%0.791SS**  cis-173.1170.76-950000108.7
38D36.5Very low32.9Very low149 Ų149147.5 Ų147.580%0.79779%0.789SS**  trans-43.4149.5172.7-64.3-53.3000117.2
39L32.3Very low32.7Very low156 Ų156151.4 Ų151.482%0.81779%0.79SS**  164.4114.2109.4-84.9167.5000111.8
40S35.4Very low32.9Very low93 Ų93150.9 Ų150.965%0.6579%0.792SS**  42.5141.1123.5-52.70000123.8
41I34.3Very low32.9Very low141 Ų141147.2 Ų147.272%0.72379%0.785SS**  trans80.1134.9142.3-71.4161.3000114.3
42E31Very low32.7Very low177 Ų177146.1 Ų146.183%0.82779%0.789SS**  cis-159.1163.325.9-140.3145.7-142.400110.5
43L33.4Very low32.6Very low161 Ų161147.2 Ų147.284%0.84379%0.794SS**  trans-77.4140.7170.5-67.3160.9000110.6
44H30.6Very low32.7Very low178 Ų178148.9 Ų148.982%0.82480%0.802SS**  trans-142.2122.7150.4-126.6-81.4000110.7
45H35.1Very low32.4Very low170 Ų170148.8 Ų148.879%0.78780%0.802SS**  trans-69.3146.5156.1-95.249.4000108.6
46D31.5Very low32.3Very low155 Ų155150.6 Ų150.683%0.82981%0.806SS**  trans-167.4143.2130-91.5-37.6000110.7
47E30.9Very low32.1Very low168 Ų168152.4 Ų152.479%0.78580%0.802SS**  trans-84.2169.8-174-77.9-148.1128.300114.6
48E31.6Very low31.9Very low165 Ų165155.3 Ų155.377%0.77181%0.81SS**  trans66.5111.3151.2-80.8-175.7153.700120.1
49Q29.1Very low31.5Very low188 Ų188157.3 Ų157.388%0.87981%0.814SS**  176127.8109-100.9172.9-70.200111.7
50L38.5Very low31.4Very low174 Ų174155.4 Ų155.491%0.91181%0.814SS**  trans-67.3147.7161.3-72.2169000110.5
51P32.8Very low31.3Very low123 Ų123159.7 Ų159.780%0.79982%0.824SS**  trans-132.9150.5139.416.64.8000114.9
52S27.1Very low31.3Very low118 Ų118161 Ų16183%0.82583%0.832SS**  trans-56.8158.3-177.5-15.50000117
53L30.4Very low31.6Very low166 Ų166161.6 Ų161.687%0.86984%0.835SS**  trans-46.3161.9168.9-61.3165000115.5
54P32.9Very low31.7Very low126 Ų126163.1 Ų163.182%0.81884%0.838SS**  trans-124.5138.713034.3-23.2000113.5
55L28.5Very low31.9Very low147 Ų147163.9 Ų163.977%0.7784%0.842SS**  trans-64.6132.6166.9-178.674000110.6
56Q30.4Very low31.6Very low191 Ų191163.7 Ų163.789%0.89384%0.841SS**  trans-146.6113.6153.3-151.7170.2-12.400110.4
57E27.8Very low31.7Very low149 Ų149164.2 Ų164.270%0.69684%0.844SS**  trans-64.9139.8173.8-65.1161.3162.700110.3
58N29.7Very low32Very low166 Ų166162.3 Ų162.389%0.88884%0.838SS**  trans-151.4114.9144-101.8-18.3000107.9
59E28.9Very low32.4Very low192 Ų192160.2 Ų160.290%0.89784%0.839SS**  trans-68.2132.1172.3-60.6173.3137.800109.8
60S30.3Very low32.8Very low115 Ų115156 Ų15680%0.80483%0.831SS**  trans-152.8109.8144.857.70000107.5
61E32.9Very low32.8Very low184 Ų184157.3 Ų157.386%0.8683%0.829SS**  trans-47.3127.7172.1-61.1162161.300110.9
62D34.1Very low33.1Very low168 Ų168158.3 Ų158.390%0.89883%0.827SS**  trans-150.4110.8140.3-95.4-31.9000106.6E64D62-E64 PolarHBondContact O-N 3.09Å
63E36.5Very low33.9Very low189 Ų189161.4 Ų161.488%0.88383%0.831SS**  trans-63.2122.3176.6-62.2175.115300109.7
64E35.8Very low34.3Very low194 Ų194161.1 Ų161.191%0.90783%0.825SS**  trans-156.192.9149.5-107.8174.1-143.300108.7D62D62-E64 PolarHBondContact O-N 3.09Å
65E34.5Very low34.7Very low194 Ų194162.8 Ų162.891%0.90782%0.819SS**  trans15.4112.2163.3-80.8176.3145.100119.7D67E65-D67 PolarHBondContact O-N 2.98Å
66E29.1Very low35.1Very low166 Ų166161.9 Ų161.978%0.77682%0.815SS**  trans-56.3109.8152.9-69.4-178.8142.900111.6L68E66-L68 PolarHBondContact O-N 3.29Å
67D33.9Very low35.6Very low165 Ų165159.3 Ų159.388%0.88281%0.807SS**  trans-89.486.1151.2-105.8-18.6000108.6E65E65-D67 PolarHBondContact O-N 2.98Å
68L36.6Very low36.1Very low128 Ų128160.2 Ų160.267%0.6781%0.809SS**  trans-53.5134.7165.9-81.8155.8000109.8E66 S70E66-L68 PolarHBondContact O-N 3.29Å; L68-S70 PolarHBondContact O-N 2.72Å
69P39.9Very low37.1Very low122 Ų122157 Ų15779%0.79280%0.797SS**  trans-65.2112.2173.226.4-30.6000108.5F71P69-F71 PolarHBondContact O-N 2.71Å
70S37.7Very low38.4Very low100 Ų100152.1 Ų152.170%0.69978%0.782SS**  trans-59110.9-177.8620000111.2L68 L72L68-S70 PolarHBondContact O-N 2.72Å; S70-L72 PolarHBondContact O-N 2.88Å; S70-L72 VanDerWaalsContact O-N 3.09Å
71F38.1Very low40.2Very low201 Ų201150.6 Ų150.688%0.88277%0.771SS**  trans-74.218.3176.5173.6-104.1000113.1P69P69-F71 PolarHBondContact O-N 2.71Å
72L39Very low42.6Very low143 Ų143143 Ų14375%0.74974%0.737SS**SBendtrans-113.992.5179.4-74172.4000111.3S70 Q74S70-L72 PolarHBondContact O-N 2.88Å; S70-L72 VanDerWaalsContact O-N 3.09Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.36Å
73M45.4Very low45.1Very low184 Ų184138.5 Ų138.591%0.90672%0.715SS**  trans47.846.1143-71.9-74.4140.300116.2K75M73-K75 PolarHBondContact O-N 3.03Å
74Q38.9Very low47.6Very low160 Ų160136 Ų13675%0.74870%0.704SS**  trans-83.495.7150.8-139.7167.21400106.1L72 N76L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.36Å; Q74-N76 PolarHBondContact O-N 3.46Å
75K40.9Very low50Low160 Ų160128.9 Ų128.970%0.69668%0.682SS**  trans-49.698.7168.6-157.5176.8-172.8-177.50105.9M73 N77M73-K75 PolarHBondContact O-N 3.03Å; K75-N77 PolarHBondContact O-N 3.25Å
76N35.9Very low52.8Low128 Ų128121 Ų12168%0.68465%0.65SS**  trans-6782.5-177.6-101.8-33000106.5Q74 K78Q74-N76 PolarHBondContact O-N 3.46Å; N76-K78 PolarHBondContact O-N 2.91Å
77N41.1Very low55.9Low137 Ų137114.3 Ų114.373%0.73362%0.618SS**  trans-72.540.3163.3-65.9-23.2000109.2K75 P79K75-N77 PolarHBondContact O-N 3.25Å; N77-P79 VanDerWaalsContact O-CD 3.3Å; N77-P79 WeakPolarHBondContact O-CD 3.3Å
78K38.6Very low58.7Low169 Ų169106.5 Ų106.574%0.73558%0.577SS**  trans-75.3112.3157.5-94.2177.8178.9168.60104.3N76N76-K78 PolarHBondContact O-N 2.91Å
79P50.6Low61.4Low97 Ų97100.7 Ų100.763%0.6355%0.546SS*.  trans-54.6136.9172.323.2-31.4000107.6N77 S81N77-P79 VanDerWaalsContact O-CD 3.3Å; N77-P79 WeakPolarHBondContact O-CD 3.3Å; P79-S81 PolarHBondContact O-N 2.95Å
80P56.6Low63.9Low90 Ų9094.9 Ų94.958%0.58451%0.508SS*.  trans-51.2124.6174.611.7-19.1000106.9I82 P139P80-I82 PolarHBondContact O-N 3.14Å; P80-P139 HydrophobicContact CG-CB 4.13Å; P80-P139 HydrophobicContact CG-CG 3.62Å
81S68.9Low66.1Low83 Ų8396 Ų9658%0.5850%0.497SS*.  trans-60111.3-171.557.70000108P79 T83P79-S81 PolarHBondContact O-N 2.95Å; S81-T83 WeakPolarHBondContact O-CG2 3.39Å; S81-T83 PolarHBondContact O-N 3.42Å; S81-T83 VanDerWaalsContact O-N 3.15Å
82I82.8Confident68Low26 Ų2686.9 Ų86.913%0.13346%0.458CS..  trans-56.9121.5-179.8-62.8171.5000108P80 V88 V102 V105 L134 L137P80-I82 PolarHBondContact O-N 3.14Å; I82-V88 HydrophobicContact CD1-CG1 4.26Å; I82-V88 HydrophobicContact CG1-CG1 4.3Å; I82-V88 HydrophobicContact CG2-CG1 3.81Å; I82-V102 HydrophobicContact CG2-CB 4.46Å; I82-V102 HydrophobicContact CG2-CG1 4.26Å; I82-V102 HydrophobicContact CG2-CG2 3.62Å; I82-V105 HydrophobicContact CG2-CG2 4.46Å; I82-L134 HydrophobicContact CD1-CD2 4.41Å; I82-L137 HydrophobicContact CD1-CB 3.64Å; I82-L137 HydrophobicContact CD1-CD1 4.35Å
83T87.2Confident69.8Low73 Ų7385.5 Ų85.545%0.44844%0.443SS..  trans-105161.4179.754.60000111.3S81 A86 V102S81-T83 WeakPolarHBondContact O-CG2 3.39Å; S81-T83 PolarHBondContact O-N 3.42Å; S81-T83 VanDerWaalsContact O-N 3.15Å; T83-A86 WeakPolarHBondContact O-CB 3.3Å; T83-A86 PolarHBondContact O-N 3.29Å; T83-V102 WeakPolarHBondContact O-CB 3.44Å; T83-V102 WeakPolarHBondContact O-CG1 3.12Å
84E88.8Confident71.1Confident137 Ų13784.6 Ų84.664%0.6444%0.442SS*.THydrogen-bonded Turntrans-59.8141.7167.3179.6169.717300110.5A86 K103E84-A86 PolarHBondContact O-N 3.31Å; E84-K103 VanDerWaalsContact CG-O 3.29Å; E84-K103 WeakPolarHBondContact CG-O 3.42Å
85G86.6Confident73Confident44 Ų4479.3 Ų79.345%0.45442%0.415SS..THydrogen-bonded Turntrans78.7-5.8-17700000115.1L101 V102G85-L101 WeakPolarHBondContact O-CD1 3.01Å; G85-V102 PolarHBondContact N-O 2.89Å
86A91.6Very high75.2Confident28 Ų2872.7 Ų72.723%0.23139%0.388CS..  trans-77.2149.417600000112T83 E84 V102T83-A86 WeakPolarHBondContact O-CB 3.3Å; T83-A86 PolarHBondContact O-N 3.29Å; E84-A86 PolarHBondContact O-N 3.31Å; A86-V102 WeakPolarHBondContact O-CG2 3.47Å; A86-V102 PolarHBondContact O-N 3.15Å
87F93.9Very high77.8Confident25 Ų2568.3 Ų68.311%0.1136%0.363CS..EExtended strand (participates in β ladder)trans-83.8142.7166.7-63.8-75.8000110.3A100 L101 V117 F140 I167 Y170 F183F87-A100 CarbonylContact C-O 3.55Å; F87-A100 WeakPolarHBondContact CA-O 3.23Å; F87-L101 HydrophobicContact CD1-CD1 4.21Å; F87-L101 HydrophobicContact CE1-CB 4.45Å; F87-L101 HydrophobicContact CE1-CD1 3.92Å; F87-L101 HydrophobicContact CZ-CD1 4.24Å; F87-V117 HydrophobicContact CD1-CG2 4.45Å; F87-V117 HydrophobicContact CE1-CG2 4.41Å; F87-F140 VanDerWaalsContact C-CB 3.49Å; F87-F140 HydrophobicContact CB-CB 3.64Å; F87-F140 HydrophobicContact CB-CD1 4.24Å; F87-F140 HydrophobicContact CB-CD2 4.11Å; F87-F140 HydrophobicContact CB-CG 3.75Å; F87-F140 WeakPolarHBondContact O-CB 3.39Å; F87-F140 PolarHBondContact O-N 3.48Å; F87-I167 HydrophobicContact CD1-CD1 3.87Å; F87-I167 HydrophobicContact CD1-CG1 3.95Å; F87-I167 HydrophobicContact CD1-CG2 4.3Å; F87-I167 HydrophobicContact CD2-CG2 3.86Å; F87-I167 HydrophobicContact CE1-CD1 4.18Å; F87-I167 HydrophobicContact CE1-CG1 3.75Å; F87-I167 HydrophobicContact CE1-CG2 4.27Å; F87-I167 HydrophobicContact CE2-CG2 3.83Å; F87-I167 HydrophobicContact CG-CD1 4.36Å; F87-I167 HydrophobicContact CG-CG2 4.09Å; F87-I167 HydrophobicContact CZ-CG1 4.18Å; F87-I167 HydrophobicContact CZ-CG2 4.03Å; F87-Y170 AromaticContact CE2-CD1 3.83Å; F87-Y170 HydrophobicContact CE2-CD1 3.83Å; F87-Y170 AromaticContact CE2-CE1 3.9Å; F87-Y170 HydrophobicContact CE2-CE1 3.9Å; F87-Y170 AromaticContact CZ-CD1 3.83Å; F87-Y170 HydrophobicContact CZ-CD1 3.83Å; F87-Y170 HydrophobicContact CZ-CE1 4.06Å; F87-F183 AromaticContact CE1-CD1 3.91Å; F87-F183 HydrophobicContact CE1-CD1 3.91Å; F87-F183 HydrophobicContact CE1-CD2 4.06Å; F87-F183 HydrophobicContact CE1-CE1 4.04Å; F87-F183 HydrophobicContact CE1-CE2 4.18Å; F87-F183 AromaticContact CE1-CG 3.89Å; F87-F183 HydrophobicContact CE1-CG 3.89Å; F87-F183 HydrophobicContact CE1-CZ 4.16Å; F87-F183 HydrophobicContact CZ-CB 4.01Å; F87-F183 HydrophobicContact CZ-CD1 4.13Å; F87-F183 AromaticContact CZ-CD2 3.54Å; F87-F183 HydrophobicContact CZ-CD2 3.54Å; F87-F183 HydrophobicContact CZ-CE1 4.48Å; F87-F183 AromaticContact CZ-CE2 3.93Å; F87-F183 HydrophobicContact CZ-CE2 3.93Å; F87-F183 AromaticContact CZ-CG 3.62Å; F87-F183 HydrophobicContact CZ-CG 3.62Å; F87-F183 HydrophobicContact CZ-CZ 4.38Å
88V94.3Very high80.2Confident2 Ų261.9 Ų61.91%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-142.6156.6178.9-65.10000110.6I82 A100 V102 V114 L137 K138I82-V88 HydrophobicContact CD1-CG1 4.26Å; I82-V88 HydrophobicContact CG1-CG1 4.3Å; I82-V88 HydrophobicContact CG2-CG1 3.81Å; V88-A100 HydrophobicContact CG2-CB 4.14Å; V88-A100 PolarHBondContact N-O 3.05Å; V88-A100 PolarHBondContact O-N 2.83Å; V88-V102 HydrophobicContact CB-CG2 4.31Å; V88-V102 HydrophobicContact CG1-CG2 3.66Å; V88-V102 HydrophobicContact CG2-CG2 3.65Å; V88-V114 HydrophobicContact CG2-CG1 4.33Å; V88-L137 HydrophobicContact CG2-CD1 4.48Å; V88-L137 HydrophobicContact CG2-CD2 4.07Å; V88-K138 CarbonylContact C-O 3.48Å; V88-K138 VanDerWaalsContact CA-O 3.25Å; V88-K138 WeakPolarHBondContact CA-O 3.42Å; V88-K138 VanDerWaalsContact CB-O 3.27Å; V88-K138 WeakPolarHBondContact CB-O 3.47Å
89W93.7Very high82.8Confident5 Ų553.9 Ų53.92%0.01929%0.293CS..EExtended strand (participates in β ladder)trans-87116.8163.5-64.696.6000109.2Y97 L137 K138 F140 A145 L148 M149 I160 L164W89-Y97 HydrophobicContact CB-CD1 4.01Å; W89-L137 WeakPolarHBondContact O-CA 3.42Å; W89-K138 HydrophobicContact CB-CB 4.23Å; W89-K138 PolarHBondContact N-O 3.13Å; W89-K138 PolarHBondContact O-N 2.91Å; W89-F140 HydrophobicContact CZ2-CD2 4.34Å; W89-F140 HydrophobicContact CZ2-CE2 4.07Å; W89-F140 AromaticContact NE1-CD2 3.81Å; W89-F140 PolarHBondContact NE1-O 3.29Å; W89-A145 HydrophobicContact CZ2-CB 4.4Å; W89-L148 HydrophobicContact CB-CD1 3.84Å; W89-L148 HydrophobicContact CD2-CB 4.21Å; W89-L148 HydrophobicContact CD2-CD1 3.98Å; W89-L148 HydrophobicContact CE3-CB 4.08Å; W89-L148 HydrophobicContact CE3-CD1 4.46Å; W89-L148 HydrophobicContact CG-CD1 3.66Å; W89-L148 HydrophobicContact CZ3-CB 4.25Å; W89-M149 HydrophobicContact CH2-CB 4.15Å; W89-I160 HydrophobicContact CH2-CD1 4.26Å; W89-I160 HydrophobicContact CZ3-CD1 3.99Å; W89-L164 HydrophobicContact CH2-CD2 4.07Å; W89-L164 HydrophobicContact CZ2-CD2 4.24Å
90G90.5Very high84.8Confident0 Ų049.2 Ų49.20%026%0.263CS..EExtended strand (participates in β ladder)trans-107.4132.7176.500000111.7W98G90-W98 PolarHBondContact N-O 2.88Å; G90-W98 PolarHBondContact O-N 3.47Å
91R85.9Confident86.6Confident125 Ų12545.5 Ų45.547%0.47224%0.238SC..  trans-100.5129.5170.3-175.6175.2178.5176.3-0.3110.8Y97R91-Y97 HydrophobicContact CB-CD1 3.76Å; R91-Y97 HydrophobicContact CB-CD2 4.22Å; R91-Y97 HydrophobicContact CB-CE1 3.61Å; R91-Y97 HydrophobicContact CB-CE2 4.11Å; R91-Y97 HydrophobicContact CB-CG 4.07Å; R91-Y97 HydrophobicContact CG-CE2 4.41Å
92C77.9Confident87.7Confident8 Ų841.6 Ų41.65%0.05421%0.211CC..  trans-125.7122.5173.8-170.80000110.3N94 Y95 F116 I209C92-N94 PolarHBondContact O-N 3.21Å; C92-Y95 WeakPolarHBondContact O-CB 3.41Å; C92-Y95 PolarHBondContact O-N 2.94Å; C92-F116 HydrophobicContact CB-CE2 4.34Å; C92-F116 HydrophobicContact CB-CZ 4.21Å; C92-I209 HydrophobicContact CB-CG2 3.98Å
93R75.5Confident88Confident115 Ų11543 Ų4343%0.43422%0.216SC..THydrogen-bonded Turntrans48.1-122.6174.2-59.9-179.9175.6-179.31.8113Y95 D212R93-Y95 VanDerWaalsContact C-N 3.33Å; R93-D212 VanDerWaalsContact CZ-O 3.27Å; R93-D212 VanDerWaalsContact NH1-CB 3.31Å; R93-D212 PolarHBondContact NH1-O 3.29Å; R93-D212 IonicContact NH1-OD2 2.73Å; R93-D212 PolarHBondContact NH1-OD2 3.44Å; R93-D212 PolarHBondContact NH2-O 3.15Å
94N73.1Confident88Confident164 Ų16444.1 Ų44.188%0.87722%0.219SC*.THydrogen-bonded Turntrans-90.69.8-176.6-65.4-9.9000113.3C92C92-N94 PolarHBondContact O-N 3.21Å
95Y78.4Confident88Confident50 Ų5038.9 Ų38.920%0.19620%0.196CC..SBendtrans-91.2151.7178.6-67.6-85000111.4C92 R93 Y156 I209C92-Y95 WeakPolarHBondContact O-CB 3.41Å; C92-Y95 PolarHBondContact O-N 2.94Å; R93-Y95 VanDerWaalsContact C-N 3.33Å; Y95-Y156 HydrophobicContact CD1-CE2 4.3Å; Y95-Y156 WeakPolarHBondContact CE1-OH 3.41Å; Y95-I209 HydrophobicContact CD1-CD1 4.08Å; Y95-I209 HydrophobicContact CD1-CG1 3.59Å; Y95-I209 HydrophobicContact CD2-CB 4.3Å; Y95-I209 HydrophobicContact CD2-CG1 4.03Å; Y95-I209 HydrophobicContact CD2-CG2 3.89Å; Y95-I209 HydrophobicContact CE1-CG1 3.65Å; Y95-I209 HydrophobicContact CE2-CB 4.29Å; Y95-I209 HydrophobicContact CE2-CG1 4.1Å; Y95-I209 HydrophobicContact CE2-CG2 4.29Å; Y95-I209 HydrophobicContact CG-CB 4.48Å; Y95-I209 HydrophobicContact CG-CD1 4.28Å; Y95-I209 HydrophobicContact CG-CG1 3.77Å; Y95-I209 HydrophobicContact CG-CG2 4.16Å
96P87.2Confident88Confident20 Ų2039.7 Ų39.713%0.1319%0.19CC..PPolyproline II helixtrans-59.8167.516927.8-34.5000110.5W98 A152 Y156P96-W98 PolarHBondContact O-N 2.86Å; P96-A152 HydrophobicContact CB-CB 4.27Å; P96-A152 HydrophobicContact CG-CB 4.24Å; P96-Y156 HydrophobicContact CG-CD2 4.2Å; P96-Y156 HydrophobicContact CG-CE2 4.36Å
97Y90.9Very high87.8Confident37 Ų3746.4 Ų46.415%0.14521%0.21CC..PPolyproline II helixtrans-60.4134.6168.9-80.9-92.8000109.3W89 R91 T136 K138 L148W89-Y97 HydrophobicContact CB-CD1 4.01Å; R91-Y97 HydrophobicContact CB-CD1 3.76Å; R91-Y97 HydrophobicContact CB-CD2 4.22Å; R91-Y97 HydrophobicContact CB-CE1 3.61Å; R91-Y97 HydrophobicContact CB-CE2 4.11Å; R91-Y97 HydrophobicContact CB-CG 4.07Å; R91-Y97 HydrophobicContact CG-CE2 4.41Å; Y97-T136 WeakPolarHBondContact CE1-O 3.5Å; Y97-K138 HydrophobicContact CE1-CD 4.08Å; Y97-K138 HydrophobicContact CE1-CG 4.2Å; Y97-L148 HydrophobicContact CD1-CD1 4.4Å; Y97-L148 HydrophobicContact CD2-CD2 3.51Å; Y97-L148 HydrophobicContact CE2-CD2 4.16Å; Y97-L148 HydrophobicContact CG-CD1 4.15Å; Y97-L148 HydrophobicContact CG-CD2 3.78Å; Y97-L148 HydrophobicContact CG-CG 4.49Å
98W91.9Very high87.3Confident2 Ų256.8 Ų56.81%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-131144-174.9-159.7-94.9000111.2G90 P96 A100 F116 A152 Y156 A159 I160 L207 I209G90-W98 PolarHBondContact N-O 2.88Å; G90-W98 PolarHBondContact O-N 3.47Å; P96-W98 PolarHBondContact O-N 2.86Å; W98-A100 PolarHBondContact O-N 3.46Å; W98-F116 HydrophobicContact CB-CD1 3.88Å; W98-F116 HydrophobicContact CB-CE1 3.69Å; W98-F116 HydrophobicContact CB-CZ 4.27Å; W98-F116 AromaticContact CD1-CD1 3.65Å; W98-F116 AromaticContact CD1-CG 3.88Å; W98-F116 HydrophobicContact CG-CD1 4.13Å; W98-F116 HydrophobicContact CG-CE1 4.41Å; W98-A152 HydrophobicContact CE3-CB 4.23Å; W98-A152 HydrophobicContact CZ3-CB 4.05Å; W98-Y156 HydrophobicContact CZ3-CD2 4.32Å; W98-Y156 HydrophobicContact CZ3-CG 4.3Å; W98-A159 HydrophobicContact CH2-CB 3.86Å; W98-A159 HydrophobicContact CZ2-CB 3.97Å; W98-I160 HydrophobicContact CD2-CD1 4.34Å; W98-I160 HydrophobicContact CE3-CD1 4.1Å; W98-I160 HydrophobicContact CH2-CB 3.69Å; W98-I160 HydrophobicContact CH2-CD1 4.25Å; W98-I160 HydrophobicContact CZ2-CB 4.39Å; W98-I160 HydrophobicContact CZ2-CD1 4.45Å; W98-I160 HydrophobicContact CZ3-CB 3.88Å; W98-I160 HydrophobicContact CZ3-CD1 4.07Å; W98-I160 HydrophobicContact CZ3-CG1 4.46Å; W98-L207 HydrophobicContact CH2-CD1 4.01Å; W98-L207 HydrophobicContact CH2-CD2 4.25Å; W98-L207 HydrophobicContact CZ2-CD1 3.9Å; W98-L207 HydrophobicContact CZ3-CD2 4.42Å; W98-I209 HydrophobicContact CG-CD1 4.47Å
99P93.6Very high86.9Confident0 Ų062.8 Ų62.80%028%0.276CS..EExtended strand (participates in β ladder)trans-67.8131.3-179.928.5-37.5000112V117 F140 I160 I167P99-V117 HydrophobicContact CB-CG2 4.23Å; P99-V117 WeakPolarHBondContact O-CG2 3.38Å; P99-V117 PolarHBondContact O-N 3.22Å; P99-V117 VanDerWaalsContact O-N 3.12Å; P99-F140 HydrophobicContact CB-CD2 4.36Å; P99-F140 HydrophobicContact CB-CE2 3.9Å; P99-I160 VanDerWaalsContact CD-CD1 3.43Å; P99-I160 HydrophobicContact CG-CD1 3.89Å; P99-I167 HydrophobicContact CB-CD1 3.82Å
100A92.6Very high86.6Confident0 Ų070.1 Ų70.10%031%0.308CS..EExtended strand (participates in β ladder)trans-138.6149.3-176.400000111.9F87 V88 W98 V114 M115 F116F87-A100 CarbonylContact C-O 3.55Å; F87-A100 WeakPolarHBondContact CA-O 3.23Å; V88-A100 HydrophobicContact CG2-CB 4.14Å; V88-A100 PolarHBondContact N-O 3.05Å; V88-A100 PolarHBondContact O-N 2.83Å; W98-A100 PolarHBondContact O-N 3.46Å; A100-V114 HydrophobicContact CB-CB 4.21Å; A100-M115 CarbonylContact C-O 3.53Å; A100-M115 VanDerWaalsContact CA-O 3.26Å; A100-M115 WeakPolarHBondContact CA-O 3.35Å; A100-F116 HydrophobicContact CB-CD1 3.63Å; A100-F116 HydrophobicContact CB-CE1 4.03Å
101L92.4Very high86.6Confident11 Ų1173.7 Ų73.76%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-91.9133.9168.5-176.974.8000110.3G85 F87 V114 M115 F183 I184G85-L101 WeakPolarHBondContact O-CD1 3.01Å; F87-L101 HydrophobicContact CD1-CD1 4.21Å; F87-L101 HydrophobicContact CE1-CB 4.45Å; F87-L101 HydrophobicContact CE1-CD1 3.92Å; F87-L101 HydrophobicContact CZ-CD1 4.24Å; L101-V114 CarbonylContact O-C 3.53Å; L101-V114 VanDerWaalsContact O-CA 3.29Å; L101-V114 WeakPolarHBondContact O-CA 3.48Å; L101-M115 PolarHBondContact N-O 3.04Å; L101-M115 PolarHBondContact O-N 3.45Å; L101-F183 HydrophobicContact CD1-CB 4.16Å; L101-F183 HydrophobicContact CD2-CB 4.17Å; L101-F183 HydrophobicContact CD2-CD1 4.14Å; L101-I184 HydrophobicContact CD2-CD1 3.71Å; L101-I184 HydrophobicContact CD2-CG1 3.72Å
102V92.4Very high86.9Confident1 Ų167.8 Ų67.81%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-82.5118.6173.1-178.30000110.1I82 T83 G85 A86 V88 V105 A112 V114I82-V102 HydrophobicContact CG2-CB 4.46Å; I82-V102 HydrophobicContact CG2-CG1 4.26Å; I82-V102 HydrophobicContact CG2-CG2 3.62Å; T83-V102 WeakPolarHBondContact O-CB 3.44Å; T83-V102 WeakPolarHBondContact O-CG1 3.12Å; G85-V102 PolarHBondContact N-O 2.89Å; A86-V102 WeakPolarHBondContact O-CG2 3.47Å; A86-V102 PolarHBondContact O-N 3.15Å; V88-V102 HydrophobicContact CB-CG2 4.31Å; V88-V102 HydrophobicContact CG1-CG2 3.66Å; V88-V102 HydrophobicContact CG2-CG2 3.65Å; V102-V105 HydrophobicContact CG1-CG2 3.45Å; V102-V105 VanDerWaalsContact CG1-CG2 3.45Å; V102-A112 HydrophobicContact CG1-CB 4.48Å; V102-V114 HydrophobicContact CG2-CG1 4.19Å
103K89.6Confident87.5Confident56 Ų5668.8 Ų68.824%0.24331%0.308CS..EExtended strand (participates in β ladder)trans-89.2-40176.1-73-164.7170.7-169.90113.3E84 S113 M115E84-K103 VanDerWaalsContact CG-O 3.29Å; E84-K103 WeakPolarHBondContact CG-O 3.42Å; K103-S113 PolarHBondContact N-O 2.78Å; K103-M115 VanDerWaalsContact CE-CE 3.49Å; K103-M115 WeakPolarHBondContact CE-SD 3.5Å
104N86.8Confident88.2Confident96 Ų9663.3 Ų63.351%0.51329%0.288SS..EExtended strand (participates in β ladder)trans-155.9144.5179.9-169-12.8000109.6A112 S113N104-A112 CarbonylContact O-C 3.55Å; N104-A112 WeakPolarHBondContact O-CA 3.29Å; N104-S113 PolarHBondContact N-O 3.32Å; N104-S113 PolarHBondContact O-N 3.37Å
105V89.3Confident88.9Confident27 Ų2755.7 Ų55.716%0.16425%0.247CC..EExtended strand (participates in β ladder)trans-118.2111.6179.9-178.30000110I82 V102 R107 A112 L134I82-V105 HydrophobicContact CG2-CG2 4.46Å; V102-V105 HydrophobicContact CG1-CG2 3.45Å; V102-V105 VanDerWaalsContact CG1-CG2 3.45Å; V105-R107 HydrophobicContact CG1-CG 3.97Å; V105-R107 PolarHBondContact O-N 2.92Å; V105-A112 HydrophobicContact CG2-CB 4.29Å; V105-L134 HydrophobicContact CG1-CD1 4.37Å; V105-L134 HydrophobicContact CG1-CD2 4.17Å
106N86.7Confident89.4Confident61 Ų6153.3 Ų53.333%0.32624%0.238SC..EExtended strand (participates in β ladder)trans-92.890.4171.4-169.7-25.2000110R108 Q109 K110 K111N106-R108 VanDerWaalsContact C-N 3.26Å; N106-R108 PolarHBondContact O-N 3.16Å; N106-R108 WeakPolarHBondContact OD1-CB 3.19Å; N106-R108 PolarHBondContact OD1-N 2.83Å; N106-R108 VanDerWaalsContact OD1-N 3.16Å; N106-Q109 HydrophobicContact CB-CB 4.43Å; N106-Q109 PolarHBondContact ND2-OE1 3.49Å; N106-Q109 PolarHBondContact O-N 3.35Å; N106-Q109 PolarHBondContact OD1-N 3.19Å; N106-K110 PolarHBondContact O-N 2.99Å; N106-K111 CarbonylContact C-O 3.48Å; N106-K111 WeakPolarHBondContact CA-O 3.31Å; N106-K111 PolarHBondContact N-O 3.34Å; N106-K111 PolarHBondContact O-N 2.53Å; N106-K111 VanDerWaalsContact O-N 3.14Å
107R86.2Confident89.5Confident170 Ų17052.4 Ų52.464%0.64223%0.232SC*.THydrogen-bonded Turntrans-61.9-32.7178.3-64.5-175.1-180173.7-0.9112.8V105 Q109 K110V105-R107 HydrophobicContact CG1-CG 3.97Å; V105-R107 PolarHBondContact O-N 2.92Å; R107-Q109 PolarHBondContact O-N 2.95Å; R107-K110 PolarHBondContact O-N 3.13Å
108R85.4Confident88.9Confident243 Ų24350.8 Ų50.892%0.91723%0.226SC*.THydrogen-bonded Turntrans-63.7-41.1178.7-63.1-175.5178.6-171.9-0.2111.7N106N106-R108 VanDerWaalsContact C-N 3.26Å; N106-R108 PolarHBondContact O-N 3.16Å; N106-R108 WeakPolarHBondContact OD1-CB 3.19Å; N106-R108 PolarHBondContact OD1-N 2.83Å; N106-R108 VanDerWaalsContact OD1-N 3.16Å
109Q85.5Confident88Confident127 Ų12751.7 Ų51.759%0.59323%0.23SC*.THydrogen-bonded Turntrans-93.62.9179.7-65.7-176.5-1200113.6N106 R107 K111N106-Q109 HydrophobicContact CB-CB 4.43Å; N106-Q109 PolarHBondContact ND2-OE1 3.49Å; N106-Q109 PolarHBondContact O-N 3.35Å; N106-Q109 PolarHBondContact OD1-N 3.19Å; R107-Q109 PolarHBondContact O-N 2.95Å; Q109-K111 HydrophobicContact CB-CB 4.4Å; Q109-K111 HydrophobicContact CB-CD 4.44Å; Q109-K111 WeakPolarHBondContact O-CG 3.28Å; Q109-K111 PolarHBondContact O-N 3.3Å
110K87.7Confident86.4Confident159 Ų15951.7 Ų51.769%0.69123%0.23SC*.THydrogen-bonded Turntrans4938.5-173.5-59.9-178.5179.1179.50113N106 R107 L134N106-K110 PolarHBondContact O-N 2.99Å; R107-K110 PolarHBondContact O-N 3.13Å; K110-L134 PolarHBondContact O-N 3.22Å
111K90.3Very high85Confident76 Ų7653.9 Ų53.933%0.3324%0.239SC..EExtended strand (participates in β ladder)trans-128.5148.7-176.7-76.9177.1-177.4-169.30110N106 Q109 T131 L132N106-K111 CarbonylContact C-O 3.48Å; N106-K111 WeakPolarHBondContact CA-O 3.31Å; N106-K111 PolarHBondContact N-O 3.34Å; N106-K111 PolarHBondContact O-N 2.53Å; N106-K111 VanDerWaalsContact O-N 3.14Å; Q109-K111 HydrophobicContact CB-CB 4.4Å; Q109-K111 HydrophobicContact CB-CD 4.44Å; Q109-K111 WeakPolarHBondContact O-CG 3.28Å; Q109-K111 PolarHBondContact O-N 3.3Å; K111-T131 HydrophobicContact CB-CG2 3.65Å; K111-T131 HydrophobicContact CD-CG2 3.73Å; K111-T131 HydrophobicContact CG-CG2 3.95Å; K111-L132 WeakPolarHBondContact CA-O 3.27Å
112A91Very high83.5Confident1 Ų156.1 Ų56.11%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-128.6142.2171.300000110.5V102 N104 V105 V114 T131 L132 L134 L137V102-A112 HydrophobicContact CG1-CB 4.48Å; N104-A112 CarbonylContact O-C 3.55Å; N104-A112 WeakPolarHBondContact O-CA 3.29Å; V105-A112 HydrophobicContact CG2-CB 4.29Å; A112-V114 HydrophobicContact CB-CG1 4.33Å; A112-T131 CarbonylContact O-C 3.59Å; A112-T131 WeakPolarHBondContact O-CA 3.2Å; A112-L132 PolarHBondContact N-O 3.26Å; A112-L132 PolarHBondContact O-N 3.17Å; A112-L134 HydrophobicContact CB-CD2 3.76Å; A112-L137 HydrophobicContact CB-CD1 3.76Å
113S90.6Very high81.7Confident28 Ų2858.9 Ų58.920%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-86.4120.4169.1-178.80000108K103 N104 G129 F130K103-S113 PolarHBondContact N-O 2.78Å; N104-S113 PolarHBondContact N-O 3.32Å; N104-S113 PolarHBondContact O-N 3.37Å; S113-G129 VanDerWaalsContact OG-C 3.31Å; S113-G129 WeakPolarHBondContact OG-CA 3.35Å; S113-G129 PolarHBondContact OG-O 3.49Å; S113-F130 WeakPolarHBondContact CA-O 3.34Å
114V90.6Very high79.9Confident0 Ų059.4 Ų59.40%029%0.287CS..EExtended strand (participates in β ladder)trans-125.1159.1-176.6-59.70000111V88 A100 L101 V102 A112 G129 F130 L132 L137V88-V114 HydrophobicContact CG2-CG1 4.33Å; A100-V114 HydrophobicContact CB-CB 4.21Å; L101-V114 CarbonylContact O-C 3.53Å; L101-V114 VanDerWaalsContact O-CA 3.29Å; L101-V114 WeakPolarHBondContact O-CA 3.48Å; V102-V114 HydrophobicContact CG2-CG1 4.19Å; A112-V114 HydrophobicContact CB-CG1 4.33Å; V114-G129 CarbonylContact O-C 3.4Å; V114-G129 WeakPolarHBondContact O-CA 3.42Å; V114-F130 HydrophobicContact CG2-CD2 4.19Å; V114-F130 HydrophobicContact CG2-CE1 4.38Å; V114-F130 HydrophobicContact CG2-CE2 3.62Å; V114-F130 HydrophobicContact CG2-CZ 3.68Å; V114-F130 PolarHBondContact N-O 2.91Å; V114-F130 PolarHBondContact O-N 3.02Å; V114-L132 HydrophobicContact CG2-CB 4.38Å; V114-L132 HydrophobicContact CG2-CD1 3.82Å; V114-L132 HydrophobicContact CG2-CG 3.96Å; V114-L137 HydrophobicContact CG1-CD1 3.87Å; V114-L137 HydrophobicContact CG1-CD2 4.19Å
115M88.3Confident77.9Confident4 Ų457.3 Ų57.32%0.0227%0.274CS..EExtended strand (participates in β ladder)trans-134.6121.9177175.2168.9-83.200108.6A100 L101 K103 Q119 A120 I184A100-M115 CarbonylContact C-O 3.53Å; A100-M115 VanDerWaalsContact CA-O 3.26Å; A100-M115 WeakPolarHBondContact CA-O 3.35Å; L101-M115 PolarHBondContact N-O 3.04Å; L101-M115 PolarHBondContact O-N 3.45Å; K103-M115 VanDerWaalsContact CE-CE 3.49Å; K103-M115 WeakPolarHBondContact CE-SD 3.5Å; M115-Q119 HydrophobicContact CG-CB 4.49Å; M115-A120 HydrophobicContact CG-CB 4.23Å; M115-A120 HydrophobicContact SD-CB 4.01Å; M115-I184 HydrophobicContact SD-CD1 3.96Å
116F89.1Confident76.2Confident1 Ų165.8 Ų65.80%0.00431%0.309CS..EExtended strand (participates in β ladder)trans-64.6147.4175-68.1-51.8000110.9C92 W98 A100 D118 Q119 A120 F130 I209 T210C92-F116 HydrophobicContact CB-CE2 4.34Å; C92-F116 HydrophobicContact CB-CZ 4.21Å; W98-F116 HydrophobicContact CB-CD1 3.88Å; W98-F116 HydrophobicContact CB-CE1 3.69Å; W98-F116 HydrophobicContact CB-CZ 4.27Å; W98-F116 AromaticContact CD1-CD1 3.65Å; W98-F116 AromaticContact CD1-CG 3.88Å; W98-F116 HydrophobicContact CG-CD1 4.13Å; W98-F116 HydrophobicContact CG-CE1 4.41Å; A100-F116 HydrophobicContact CB-CD1 3.63Å; A100-F116 HydrophobicContact CB-CE1 4.03Å; F116-D118 VanDerWaalsContact C-N 3.33Å; F116-D118 WeakPolarHBondContact CB-OD1 3.49Å; F116-D118 PolarHBondContact O-N 3.23Å; F116-Q119 HydrophobicContact CB-CG 4.41Å; F116-Q119 WeakPolarHBondContact O-CB 3.33Å; F116-Q119 PolarHBondContact O-N 3.1Å; F116-Q119 VanDerWaalsContact O-N 3.11Å; F116-A120 PolarHBondContact O-N 2.91Å; F116-A120 VanDerWaalsContact O-N 3.08Å; F116-F130 HydrophobicContact CD1-CZ 4.31Å; F116-F130 AromaticContact CD2-CE1 3.64Å; F116-F130 HydrophobicContact CD2-CE1 3.64Å; F116-F130 AromaticContact CD2-CZ 3.46Å; F116-F130 HydrophobicContact CD2-CZ 3.46Å; F116-F130 VanDerWaalsContact CD2-CZ 3.46Å; F116-F130 HydrophobicContact CE1-CZ 4.05Å; F116-F130 AromaticContact CE2-CE1 3.76Å; F116-F130 HydrophobicContact CE2-CE1 3.76Å; F116-F130 AromaticContact CE2-CE2 3.95Å; F116-F130 HydrophobicContact CE2-CE2 3.95Å; F116-F130 AromaticContact CE2-CZ 3.14Å; F116-F130 HydrophobicContact CE2-CZ 3.14Å; F116-F130 HydrophobicContact CG-CE1 4.24Å; F116-F130 HydrophobicContact CG-CZ 4.04Å; F116-F130 HydrophobicContact CZ-CE1 4.47Å; F116-F130 HydrophobicContact CZ-CE2 4.08Å; F116-F130 AromaticContact CZ-CZ 3.48Å; F116-F130 HydrophobicContact CZ-CZ 3.48Å; F116-F130 VanDerWaalsContact CZ-CZ 3.48Å; F116-I209 HydrophobicContact CD2-CB 4.46Å; F116-I209 HydrophobicContact CD2-CG2 4.04Å; F116-I209 HydrophobicContact CE2-CB 4.28Å; F116-I209 HydrophobicContact CE2-CG2 3.4Å; F116-I209 HydrophobicContact CZ-CG2 4.26Å; F116-T210 HydrophobicContact CD2-CG2 4.39Å
117V87.7Confident74.8Confident0 Ų068.5 Ų68.50%032%0.319CS..Hα-helixtrans-64.7-36.8-171.2168.10000112.7F87 P99 Q119 A120 W162 F166 I167 F183F87-V117 HydrophobicContact CD1-CG2 4.45Å; F87-V117 HydrophobicContact CE1-CG2 4.41Å; P99-V117 HydrophobicContact CB-CG2 4.23Å; P99-V117 WeakPolarHBondContact O-CG2 3.38Å; P99-V117 PolarHBondContact O-N 3.22Å; P99-V117 VanDerWaalsContact O-N 3.12Å; V117-Q119 VanDerWaalsContact C-N 3.31Å; V117-Q119 PolarHBondContact O-N 3.42Å; V117-A120 WeakPolarHBondContact O-CB 3.27Å; V117-A120 PolarHBondContact O-N 3.37Å; V117-W162 HydrophobicContact CG1-CZ3 4.42Å; V117-F166 HydrophobicContact CG1-CD1 3.98Å; V117-I167 HydrophobicContact CG1-CG1 4.24Å; V117-I167 HydrophobicContact CG2-CD1 3.7Å; V117-I167 HydrophobicContact CG2-CG1 3.96Å; V117-F183 HydrophobicContact CG1-CE1 4.21Å; V117-F183 HydrophobicContact CG1-CZ 3.91Å; V117-F183 HydrophobicContact CG2-CE1 4.32Å
118D79.2Confident73.7Confident4 Ų469.6 Ų69.62%0.02133%0.329CS..Hα-helixtrans-60.3-38.7172.560.6-20.1000112.5F116 F121 T122 Y199F116-D118 VanDerWaalsContact C-N 3.33Å; F116-D118 WeakPolarHBondContact CB-OD1 3.49Å; F116-D118 PolarHBondContact O-N 3.23Å; D118-F121 PolarHBondContact O-N 3.26Å; D118-T122 PolarHBondContact O-N 3.27Å; D118-Y199 HydrophobicContact CB-CE2 4.26Å
119Q72.9Confident73.1Confident20 Ų2058.5 Ų58.59%0.09329%0.29CS..Hα-helixtrans-75.8-27.7178.9-64.9173.824.900113.5M115 F116 V117 F121 T122 T210M115-Q119 HydrophobicContact CG-CB 4.49Å; F116-Q119 HydrophobicContact CB-CG 4.41Å; F116-Q119 WeakPolarHBondContact O-CB 3.33Å; F116-Q119 PolarHBondContact O-N 3.1Å; F116-Q119 VanDerWaalsContact O-N 3.11Å; V117-Q119 VanDerWaalsContact C-N 3.31Å; V117-Q119 PolarHBondContact O-N 3.42Å; Q119-F121 PolarHBondContact O-N 2.88Å; Q119-T122 PolarHBondContact O-OG1 2.94Å; Q119-T210 VanDerWaalsContact CD-OG1 3.3Å; Q119-T210 PolarHBondContact NE2-OG1 2.83Å; Q119-T210 PolarHBondContact OE1-OG1 2.85Å
120A60.5Low73Confident0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-62.4-27.917400000111.6M115 F116 V117 Q125 F183 I184M115-A120 HydrophobicContact CG-CB 4.23Å; M115-A120 HydrophobicContact SD-CB 4.01Å; F116-A120 PolarHBondContact O-N 2.91Å; F116-A120 VanDerWaalsContact O-N 3.08Å; V117-A120 WeakPolarHBondContact O-CB 3.27Å; V117-A120 PolarHBondContact O-N 3.37Å; A120-Q125 PolarHBondContact O-NE2 3.29Å; A120-F183 HydrophobicContact CB-CE1 4.17Å; A120-I184 HydrophobicContact CB-CD1 4.11Å
121F62.7Low73Confident46 Ų4650.3 Ų50.320%0.20226%0.26CS..Hα-helixtrans-86.9-35.8-179.3169.2-118.4000114.6D118 Q119 G123 W162 F166 R196 Y199D118-F121 PolarHBondContact O-N 3.26Å; Q119-F121 PolarHBondContact O-N 2.88Å; F121-G123 PolarHBondContact O-N 2.81Å; F121-W162 HydrophobicContact CB-CH2 3.73Å; F121-W162 HydrophobicContact CB-CZ2 4.47Å; F121-W162 AromaticContact CD1-CH2 3.87Å; F121-W162 HydrophobicContact CD1-CH2 3.87Å; F121-W162 HydrophobicContact CD1-CZ2 4.02Å; F121-W162 AromaticContact CG-CH2 3.89Å; F121-W162 HydrophobicContact CG-CH2 3.89Å; F121-W162 HydrophobicContact CG-CZ2 4.17Å; F121-F166 HydrophobicContact CB-CE1 4.4Å; F121-R196 HydrophobicContact CD2-CB 4.11Å; F121-R196 VanDerWaalsContact CD2-CD 3.42Å; F121-R196 HydrophobicContact CD2-CG 3.51Å; F121-R196 HydrophobicContact CE2-CB 3.44Å; F121-R196 VanDerWaalsContact CE2-CB 3.44Å; F121-R196 HydrophobicContact CE2-CG 3.36Å; F121-R196 HydrophobicContact CG-CG 4.46Å; F121-R196 HydrophobicContact CZ-CB 3.81Å; F121-R196 HydrophobicContact CZ-CG 4.17Å; F121-Y199 HydrophobicContact CD1-CD1 4.17Å; F121-Y199 HydrophobicContact CD1-CD2 4.04Å; F121-Y199 HydrophobicContact CD1-CE2 4.44Å; F121-Y199 AromaticContact CD1-CG 3.89Å; F121-Y199 HydrophobicContact CD1-CG 3.89Å; F121-Y199 AromaticContact CE1-CD1 3.82Å; F121-Y199 HydrophobicContact CE1-CD1 3.82Å; F121-Y199 HydrophobicContact CE1-CD2 4.26Å; F121-Y199 AromaticContact CE1-CG 3.65Å; F121-Y199 HydrophobicContact CE1-CG 3.65Å
122T61.8Low72.8Confident59 Ų5947.4 Ų47.436%0.36225%0.248SC..THydrogen-bonded Turntrans-70.418.5-170.450.40000115.6D118 Q119 I124 Y199D118-T122 PolarHBondContact O-N 3.27Å; Q119-T122 PolarHBondContact O-OG1 2.94Å; T122-I124 PolarHBondContact O-N 3.31Å; T122-I124 WeakPolarHBondContact OG1-CD1 3.38Å; T122-I124 WeakPolarHBondContact OG1-CG1 3.25Å; T122-Y199 HydrophobicContact CG2-CE1 4.5Å
123G53.8Low72.7Confident58 Ų5849.5 Ų49.560%0.59826%0.262SS*.THydrogen-bonded Turntrans74.16.4177.800000113.8F121 Q125F121-G123 PolarHBondContact O-N 2.81Å; G123-Q125 PolarHBondContact O-N 2.9Å
124I51.1Low72.5Confident67 Ų6750.3 Ų50.334%0.34426%0.264SS..  trans-78.635.3176.1-53.1-177.2000110.1T122 K126 Q127T122-I124 PolarHBondContact O-N 3.31Å; T122-I124 WeakPolarHBondContact OG1-CD1 3.38Å; T122-I124 WeakPolarHBondContact OG1-CG1 3.25Å; I124-K126 PolarHBondContact O-N 3.07Å; I124-Q127 HydrophobicContact CB-CG 4.43Å; I124-Q127 HydrophobicContact CG2-CB 3.6Å; I124-Q127 HydrophobicContact CG2-CG 2.96Å; I124-Q127 PolarHBondContact O-N 3.31Å
125Q46.7Very low72.3Confident52 Ų5261.3 Ų61.324%0.24331%0.305CS..THydrogen-bonded Turntrans-60.8-16.8-178.4-70.4-70.1-1.300112.9A120 G123 N188A120-Q125 PolarHBondContact O-NE2 3.29Å; G123-Q125 PolarHBondContact O-N 2.9Å; Q125-N188 PolarHBondContact NE2-ND2 3.4Å; Q125-N188 PolarHBondContact NE2-OD1 3.19Å; Q125-N188 VanDerWaalsContact NE2-OD1 3.09Å
126K52Low72.3Confident205 Ų20562.9 Ų62.989%0.89132%0.315SS*.THydrogen-bonded Turntrans-95.5-5.1178.8-64.1-174.5-177.3177.20114.9I124 K128I124-K126 PolarHBondContact O-N 3.07Å; K126-K128 PolarHBondContact O-N 3.34Å
127Q57Low72.3Confident118 Ų11863.3 Ų63.355%0.55132%0.317SS*.SBendtrans-75.5126.7172-65.8-735.100109.1I124 G129I124-Q127 HydrophobicContact CB-CG 4.43Å; I124-Q127 HydrophobicContact CG2-CB 3.6Å; I124-Q127 HydrophobicContact CG2-CG 2.96Å; I124-Q127 PolarHBondContact O-N 3.31Å; Q127-G129 PolarHBondContact O-N 2.92Å
128K64.9Low72.5Confident194 Ų19465.7 Ų65.784%0.84333%0.328SS*.PPolyproline II helixtrans-54.6125.7162.5-68.8177.1176.8179.20106.4K126 F130K126-K128 PolarHBondContact O-N 3.34Å; K128-F130 PolarHBondContact O-N 3.41Å
129G72Confident73.1Confident10 Ų1067.2 Ų67.210%0.10334%0.338CS..PPolyproline II helixtrans-52.7142.7175.200000109.6S113 V114 Q127S113-G129 VanDerWaalsContact OG-C 3.31Å; S113-G129 WeakPolarHBondContact OG-CA 3.35Å; S113-G129 PolarHBondContact OG-O 3.49Å; V114-G129 CarbonylContact O-C 3.4Å; V114-G129 WeakPolarHBondContact O-CA 3.42Å; Q127-G129 PolarHBondContact O-N 2.92Å
130F82.4Confident74.1Confident25 Ų2567.5 Ų67.511%0.1134%0.339CS..EExtended strand (participates in β ladder)trans-76.8155.218060-85.2000109.9S113 V114 F116 K128 L132 T210 V213S113-F130 WeakPolarHBondContact CA-O 3.34Å; V114-F130 HydrophobicContact CG2-CD2 4.19Å; V114-F130 HydrophobicContact CG2-CE1 4.38Å; V114-F130 HydrophobicContact CG2-CE2 3.62Å; V114-F130 HydrophobicContact CG2-CZ 3.68Å; V114-F130 PolarHBondContact N-O 2.91Å; V114-F130 PolarHBondContact O-N 3.02Å; F116-F130 HydrophobicContact CD1-CZ 4.31Å; F116-F130 AromaticContact CD2-CE1 3.64Å; F116-F130 HydrophobicContact CD2-CE1 3.64Å; F116-F130 AromaticContact CD2-CZ 3.46Å; F116-F130 HydrophobicContact CD2-CZ 3.46Å; F116-F130 VanDerWaalsContact CD2-CZ 3.46Å; F116-F130 HydrophobicContact CE1-CZ 4.05Å; F116-F130 AromaticContact CE2-CE1 3.76Å; F116-F130 HydrophobicContact CE2-CE1 3.76Å; F116-F130 AromaticContact CE2-CE2 3.95Å; F116-F130 HydrophobicContact CE2-CE2 3.95Å; F116-F130 AromaticContact CE2-CZ 3.14Å; F116-F130 HydrophobicContact CE2-CZ 3.14Å; F116-F130 HydrophobicContact CG-CE1 4.24Å; F116-F130 HydrophobicContact CG-CZ 4.04Å; F116-F130 HydrophobicContact CZ-CE1 4.47Å; F116-F130 HydrophobicContact CZ-CE2 4.08Å; F116-F130 AromaticContact CZ-CZ 3.48Å; F116-F130 HydrophobicContact CZ-CZ 3.48Å; F116-F130 VanDerWaalsContact CZ-CZ 3.48Å; K128-F130 PolarHBondContact O-N 3.41Å; F130-L132 HydrophobicContact CD2-CD2 4.17Å; F130-L132 HydrophobicContact CD2-CG 3.98Å; F130-L132 HydrophobicContact CE2-CD1 3.77Å; F130-L132 HydrophobicContact CE2-CD2 4.02Å; F130-L132 HydrophobicContact CE2-CG 3.66Å; F130-T210 HydrophobicContact CD1-CG2 3.66Å; F130-T210 HydrophobicContact CE1-CG2 3.69Å; F130-T210 HydrophobicContact CG-CG2 4.4Å; F130-T210 HydrophobicContact CZ-CG2 4.44Å; F130-V213 HydrophobicContact CB-CG1 4.06Å
131T87.7Confident75.5Confident88 Ų8872.8 Ų72.854%0.5437%0.367SS..EExtended strand (participates in β ladder)trans-96.4120.9-171.5-57.30000110.5K111 A112K111-T131 HydrophobicContact CB-CG2 3.65Å; K111-T131 HydrophobicContact CD-CG2 3.73Å; K111-T131 HydrophobicContact CG-CG2 3.95Å; A112-T131 CarbonylContact O-C 3.59Å; A112-T131 WeakPolarHBondContact O-CA 3.2Å
132L87.6Confident76.8Confident15 Ų1572 Ų728%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-111.7144.6172.1-70.7-174.6000111.2K111 A112 V114 F130 L137K111-L132 WeakPolarHBondContact CA-O 3.27Å; A112-L132 PolarHBondContact N-O 3.26Å; A112-L132 PolarHBondContact O-N 3.17Å; V114-L132 HydrophobicContact CG2-CB 4.38Å; V114-L132 HydrophobicContact CG2-CD1 3.82Å; V114-L132 HydrophobicContact CG2-CG 3.96Å; F130-L132 HydrophobicContact CD2-CD2 4.17Å; F130-L132 HydrophobicContact CD2-CG 3.98Å; F130-L132 HydrophobicContact CE2-CD1 3.77Å; F130-L132 HydrophobicContact CE2-CD2 4.02Å; F130-L132 HydrophobicContact CE2-CG 3.66Å; L132-L137 HydrophobicContact CB-CD2 4.06Å; L132-L137 HydrophobicContact CB-CG 4.38Å; L132-L137 HydrophobicContact CD1-CD2 3.67Å
133P88.4Confident78.1Confident46 Ų4678 Ų7830%0.29939%0.391SS..EExtended strand (participates in β ladder)trans-59140.3167.7-21.533.1000111.2R135 T136P133-R135 HydrophobicContact CB-CG 3.84Å; P133-R135 PolarHBondContact O-N 3.21Å; P133-R135 VanDerWaalsContact O-N 3.12Å; P133-T136 HydrophobicContact CB-CG2 4.41Å; P133-T136 HydrophobicContact CG-CG2 4.47Å; P133-T136 PolarHBondContact O-N 2.65Å; P133-T136 PolarHBondContact O-OG1 3.2Å
134L86.6Confident79.9Confident45 Ų4579.4 Ų79.424%0.23638%0.382CS..G310 helixtrans-58.7-29.5178.1-74.4176000112.7I82 V105 K110 A112 T136 L137I82-L134 HydrophobicContact CD1-CD2 4.41Å; V105-L134 HydrophobicContact CG1-CD1 4.37Å; V105-L134 HydrophobicContact CG1-CD2 4.17Å; K110-L134 PolarHBondContact O-N 3.22Å; A112-L134 HydrophobicContact CB-CD2 3.76Å; L134-T136 PolarHBondContact O-N 2.68Å; L134-L137 HydrophobicContact CD2-CD1 4.32Å; L134-L137 PolarHBondContact O-N 3.5Å
135R85.7Confident81.8Confident230 Ų23077.1 Ų77.187%0.86837%0.373SS*.G310 helixtrans-65-21.9177.267.2176.4-178.2-177.3-0.2114.6P133P133-R135 HydrophobicContact CB-CG 3.84Å; P133-R135 PolarHBondContact O-N 3.21Å; P133-R135 VanDerWaalsContact O-N 3.12Å
136T87.7Confident83.9Confident37 Ų3779.7 Ų79.723%0.22739%0.389CS..G310 helixtrans-97.1-0.7-179.459.50000112.5Y97 P133 L134Y97-T136 WeakPolarHBondContact CE1-O 3.5Å; P133-T136 HydrophobicContact CB-CG2 4.41Å; P133-T136 HydrophobicContact CG-CG2 4.47Å; P133-T136 PolarHBondContact O-N 2.65Å; P133-T136 PolarHBondContact O-OG1 3.2Å; L134-T136 PolarHBondContact O-N 2.68Å
137L90.6Very high85.9Confident11 Ų1176.3 Ų76.36%0.05838%0.376CS..EExtended strand (participates in β ladder)trans-99.3133.1176.9-61.8-178.8000109I82 V88 W89 A112 V114 L132 L134I82-L137 HydrophobicContact CD1-CB 3.64Å; I82-L137 HydrophobicContact CD1-CD1 4.35Å; V88-L137 HydrophobicContact CG2-CD1 4.48Å; V88-L137 HydrophobicContact CG2-CD2 4.07Å; W89-L137 WeakPolarHBondContact O-CA 3.42Å; A112-L137 HydrophobicContact CB-CD1 3.76Å; V114-L137 HydrophobicContact CG1-CD1 3.87Å; V114-L137 HydrophobicContact CG1-CD2 4.19Å; L132-L137 HydrophobicContact CB-CD2 4.06Å; L132-L137 HydrophobicContact CB-CG 4.38Å; L132-L137 HydrophobicContact CD1-CD2 3.67Å; L134-L137 HydrophobicContact CD2-CD1 4.32Å; L134-L137 PolarHBondContact O-N 3.5Å
138K91.8Very high87.6Confident49 Ų4971.2 Ų71.221%0.21335%0.352CS..EExtended strand (participates in β ladder)trans-112.5144.3170.8-62-179.6175.1-172.80109.3V88 W89 Y97 E144 L148V88-K138 CarbonylContact C-O 3.48Å; V88-K138 VanDerWaalsContact CA-O 3.25Å; V88-K138 WeakPolarHBondContact CA-O 3.42Å; V88-K138 VanDerWaalsContact CB-O 3.27Å; V88-K138 WeakPolarHBondContact CB-O 3.47Å; W89-K138 HydrophobicContact CB-CB 4.23Å; W89-K138 PolarHBondContact N-O 3.13Å; W89-K138 PolarHBondContact O-N 2.91Å; Y97-K138 HydrophobicContact CE1-CD 4.08Å; Y97-K138 HydrophobicContact CE1-CG 4.2Å; K138-E144 IonicContact NZ-OE1 3.4Å; K138-E144 IonicContact NZ-OE2 3.43Å; K138-E144 PolarHBondContact NZ-OE2 2.83Å; K138-L148 HydrophobicContact CD-CD1 4.01Å
139P92.3Very high88.9Confident36 Ų3663.7 Ų63.723%0.23432%0.321CS..EExtended strand (participates in β ladder)trans-53.9144.2171.8-22.332.9000110.7P80 D141 C142P80-P139 HydrophobicContact CG-CB 4.13Å; P80-P139 HydrophobicContact CG-CG 3.62Å; P139-D141 PolarHBondContact O-N 3.14Å; P139-C142 WeakPolarHBondContact O-CB 3.46Å; P139-C142 PolarHBondContact O-N 3.37Å; P139-C142 PolarHBondContact O-SG 3.34Å
140F92.3Very high89.8Confident27 Ų2769 Ų6912%0.11834%0.343CS..THydrogen-bonded Turntrans-62.1-43.7-178.1-176.3-105.5000112.9F87 W89 P99 C142 A145 L164 I167F87-F140 VanDerWaalsContact C-CB 3.49Å; F87-F140 HydrophobicContact CB-CB 3.64Å; F87-F140 HydrophobicContact CB-CD1 4.24Å; F87-F140 HydrophobicContact CB-CD2 4.11Å; F87-F140 HydrophobicContact CB-CG 3.75Å; F87-F140 WeakPolarHBondContact O-CB 3.39Å; F87-F140 PolarHBondContact O-N 3.48Å; W89-F140 HydrophobicContact CZ2-CD2 4.34Å; W89-F140 HydrophobicContact CZ2-CE2 4.07Å; W89-F140 AromaticContact NE1-CD2 3.81Å; W89-F140 PolarHBondContact NE1-O 3.29Å; P99-F140 HydrophobicContact CB-CD2 4.36Å; P99-F140 HydrophobicContact CB-CE2 3.9Å; F140-C142 VanDerWaalsContact C-N 3.29Å; F140-C142 PolarHBondContact O-N 3.14Å; F140-A145 WeakPolarHBondContact O-CB 3.49Å; F140-L164 HydrophobicContact CE2-CD2 3.7Å; F140-L164 HydrophobicContact CZ-CD2 3.55Å; F140-I167 HydrophobicContact CD2-CD1 4.43Å; F140-I167 HydrophobicContact CE1-CG2 3.99Å; F140-I167 HydrophobicContact CE2-CD1 3.66Å; F140-I167 HydrophobicContact CZ-CB 4.47Å; F140-I167 HydrophobicContact CZ-CD1 3.73Å; F140-I167 HydrophobicContact CZ-CG2 4.06Å
141D89.9Confident90.2Very high110 Ų11073.3 Ų73.359%0.58836%0.361SS*.THydrogen-bonded Turntrans-89.949.9178.3-55.8-42000111.3P139 R171P139-D141 PolarHBondContact O-N 3.14Å; D141-R171 IonicContact OD1-CZ 2.96Å; D141-R171 IonicContact OD1-NH1 3.41Å; D141-R171 PolarHBondContact OD1-NH1 3.07Å; D141-R171 IonicContact OD1-NH2 2.74Å; D141-R171 IonicContact OD2-CZ 2.63Å; D141-R171 IonicContact OD2-NH1 2.62Å; D141-R171 PolarHBondContact OD2-NH1 3.3Å; D141-R171 IonicContact OD2-NH2 3.47Å; D141-R171 PolarHBondContact OD2-NH2 3.16Å
142C89.9Confident90.3Very high30 Ų3069.1 Ų69.120%0.20334%0.336CS..  trans-90.6159177.665.90000112.8P139 F140 E144 A145P139-C142 WeakPolarHBondContact O-CB 3.46Å; P139-C142 PolarHBondContact O-N 3.37Å; P139-C142 PolarHBondContact O-SG 3.34Å; F140-C142 VanDerWaalsContact C-N 3.29Å; F140-C142 PolarHBondContact O-N 3.14Å; C142-E144 PolarHBondContact O-N 3.19Å; C142-E144 VanDerWaalsContact O-N 3.15Å; C142-A145 WeakPolarHBondContact O-CB 3.46Å; C142-A145 PolarHBondContact O-N 3.05Å
143E90.9Very high90.4Very high184 Ų18472 Ų7286%0.8635%0.347SS*.THydrogen-bonded Turntrans-54.9-34.4177.6-64.9-179.5-177.700112.8A145E143-A145 VanDerWaalsContact C-N 3.29Å; E143-A145 PolarHBondContact O-N 3.37Å
144E91.6Very high90.5Very high88 Ų8877.3 Ų77.341%0.41137%0.369SS..THydrogen-bonded Turntrans-83.11.3179.9-58.3172.8-144.500113.6K138 C142 D146 E147 L148K138-E144 IonicContact NZ-OE1 3.4Å; K138-E144 IonicContact NZ-OE2 3.43Å; K138-E144 PolarHBondContact NZ-OE2 2.83Å; C142-E144 PolarHBondContact O-N 3.19Å; C142-E144 VanDerWaalsContact O-N 3.15Å; E144-D146 VanDerWaalsContact C-N 3.27Å; E144-D146 PolarHBondContact O-N 2.88Å; E144-E147 PolarHBondContact O-N 3.12Å; E144-E147 VanDerWaalsContact O-N 3.1Å; E144-L148 WeakPolarHBondContact O-CG 3.31Å; E144-L148 PolarHBondContact O-N 2.83Å
145A89.9Confident90.4Very high19 Ų1978.9 Ų78.916%0.15738%0.383CS..Hα-helixtrans-58.7-38.3-170.800000112.6W89 F140 C142 E143 L148 M149W89-A145 HydrophobicContact CZ2-CB 4.4Å; F140-A145 WeakPolarHBondContact O-CB 3.49Å; C142-A145 WeakPolarHBondContact O-CB 3.46Å; C142-A145 PolarHBondContact O-N 3.05Å; E143-A145 VanDerWaalsContact C-N 3.29Å; E143-A145 PolarHBondContact O-N 3.37Å; A145-L148 PolarHBondContact O-N 2.86Å; A145-M149 WeakPolarHBondContact O-CB 3.38Å; A145-M149 PolarHBondContact O-N 3.27Å
146D91.7Very high90.4Very high107 Ų10770.1 Ų70.157%0.57235%0.35SS*.Hα-helixtrans-66.3-38.9178.1-71.2-37.2000112.4E144 M149 Q150E144-D146 VanDerWaalsContact C-N 3.27Å; E144-D146 PolarHBondContact O-N 2.88Å; D146-M149 PolarHBondContact O-N 2.87Å; D146-Q150 WeakPolarHBondContact O-CG 3.48Å; D146-Q150 PolarHBondContact O-N 2.95Å
147E93.8Very high90.4Very high133 Ų13374.6 Ų74.662%0.62137%0.369SS*.Hα-helixtrans-66.8-42.4175.9-60.3-176.5176.400111.2E144 M149 Q150 K151E144-E147 PolarHBondContact O-N 3.12Å; E144-E147 VanDerWaalsContact O-N 3.1Å; E147-M149 VanDerWaalsContact C-N 3.31Å; E147-M149 PolarHBondContact O-N 3.34Å; E147-Q150 PolarHBondContact O-N 2.85Å; E147-K151 WeakPolarHBondContact O-CB 3.35Å; E147-K151 PolarHBondContact O-N 3.3Å
148L92.2Very high90.3Very high12 Ų1276.7 Ų76.76%0.06339%0.387CS..Hα-helixtrans-62.3-41.4176-61.7-177.8000111.1W89 Y97 K138 E144 A145 A152W89-L148 HydrophobicContact CB-CD1 3.84Å; W89-L148 HydrophobicContact CD2-CB 4.21Å; W89-L148 HydrophobicContact CD2-CD1 3.98Å; W89-L148 HydrophobicContact CE3-CB 4.08Å; W89-L148 HydrophobicContact CE3-CD1 4.46Å; W89-L148 HydrophobicContact CG-CD1 3.66Å; W89-L148 HydrophobicContact CZ3-CB 4.25Å; Y97-L148 HydrophobicContact CD1-CD1 4.4Å; Y97-L148 HydrophobicContact CD2-CD2 3.51Å; Y97-L148 HydrophobicContact CE2-CD2 4.16Å; Y97-L148 HydrophobicContact CG-CD1 4.15Å; Y97-L148 HydrophobicContact CG-CD2 3.78Å; Y97-L148 HydrophobicContact CG-CG 4.49Å; K138-L148 HydrophobicContact CD-CD1 4.01Å; E144-L148 WeakPolarHBondContact O-CG 3.31Å; E144-L148 PolarHBondContact O-N 2.83Å; A145-L148 PolarHBondContact O-N 2.86Å; L148-A152 WeakPolarHBondContact O-CB 3.39Å; L148-A152 PolarHBondContact O-N 3.03Å
149M91.7Very high90.1Very high35 Ų3574.3 Ų74.317%0.17238%0.377CS..Hα-helixtrans-61.5-50.7173.9173.7-173.855.800111.3W89 A145 D146 E147 K151 A152 K153 L164W89-M149 HydrophobicContact CH2-CB 4.15Å; A145-M149 WeakPolarHBondContact O-CB 3.38Å; A145-M149 PolarHBondContact O-N 3.27Å; D146-M149 PolarHBondContact O-N 2.87Å; E147-M149 VanDerWaalsContact C-N 3.31Å; E147-M149 PolarHBondContact O-N 3.34Å; M149-K151 VanDerWaalsContact C-N 3.32Å; M149-K151 PolarHBondContact O-N 2.87Å; M149-A152 PolarHBondContact O-N 2.76Å; M149-A152 VanDerWaalsContact O-N 3.15Å; M149-K153 HydrophobicContact CG-CD 4.14Å; M149-K153 HydrophobicContact CG-CG 4.38Å; M149-K153 WeakPolarHBondContact O-CG 3.3Å; M149-K153 PolarHBondContact O-N 2.85Å; M149-L164 HydrophobicContact CB-CD1 4.49Å; M149-L164 HydrophobicContact CG-CD1 3.78Å; M149-L164 HydrophobicContact SD-CD1 3.6Å
150Q92.1Very high90Very high121 Ų12172.6 Ų72.657%0.56537%0.366SS*.Hα-helixtrans-59.8-44.4-178.6-74.9-179.715.400111.3D146 E147 A152 K153 E154D146-Q150 WeakPolarHBondContact O-CG 3.48Å; D146-Q150 PolarHBondContact O-N 2.95Å; E147-Q150 PolarHBondContact O-N 2.85Å; Q150-A152 VanDerWaalsContact C-N 3.3Å; Q150-A152 PolarHBondContact O-N 2.78Å; Q150-K153 WeakPolarHBondContact O-CB 3.43Å; Q150-K153 PolarHBondContact O-N 3.48Å; Q150-E154 PolarHBondContact O-N 3.2Å; Q150-E154 VanDerWaalsContact O-N 3.15Å
151K91.1Very high90Very high116 Ų11673.4 Ų73.450%0.50437%0.373SS..Hα-helixtrans-61.5-36.2176-171.7170.5-172162.50113.2E147 M149E147-K151 WeakPolarHBondContact O-CB 3.35Å; E147-K151 PolarHBondContact O-N 3.3Å; M149-K151 VanDerWaalsContact C-N 3.32Å; M149-K151 PolarHBondContact O-N 2.87Å
152A89.3Confident90.1Very high0 Ų068.5 Ų68.50%035%0.346CS..Hα-helixtrans-71.7-35.3174.100000112P96 W98 L148 M149 Q150 E154 S155 Y156 I160P96-A152 HydrophobicContact CB-CB 4.27Å; P96-A152 HydrophobicContact CG-CB 4.24Å; W98-A152 HydrophobicContact CE3-CB 4.23Å; W98-A152 HydrophobicContact CZ3-CB 4.05Å; L148-A152 WeakPolarHBondContact O-CB 3.39Å; L148-A152 PolarHBondContact O-N 3.03Å; M149-A152 PolarHBondContact O-N 2.76Å; M149-A152 VanDerWaalsContact O-N 3.15Å; Q150-A152 VanDerWaalsContact C-N 3.3Å; Q150-A152 PolarHBondContact O-N 2.78Å; A152-E154 VanDerWaalsContact C-N 3.32Å; A152-E154 PolarHBondContact O-N 3.47Å; A152-S155 PolarHBondContact O-N 3.34Å; A152-Y156 PolarHBondContact O-N 2.9Å; A152-I160 HydrophobicContact CB-CB 4.16Å; A152-I160 HydrophobicContact CB-CD1 4.04Å; A152-I160 HydrophobicContact CB-CG1 3.83Å; A152-I160 HydrophobicContact CB-CG2 4.43Å
153K89.8Confident90.2Very high75 Ų7567 Ų6733%0.32634%0.337SS..Hα-helixtrans-62.9-35.6177.7-76.7-179.8174.5179.60112.7M149 Q150 S155 Y156 E157 I160M149-K153 HydrophobicContact CG-CD 4.14Å; M149-K153 HydrophobicContact CG-CG 4.38Å; M149-K153 WeakPolarHBondContact O-CG 3.3Å; M149-K153 PolarHBondContact O-N 2.85Å; Q150-K153 WeakPolarHBondContact O-CB 3.43Å; Q150-K153 PolarHBondContact O-N 3.48Å; K153-S155 PolarHBondContact O-N 3.39Å; K153-S155 VanDerWaalsContact O-N 3.13Å; K153-Y156 PolarHBondContact O-N 3.07Å; K153-E157 HydrophobicContact CG-CG 4.46Å; K153-E157 WeakPolarHBondContact O-CB 3.43Å; K153-E157 PolarHBondContact O-N 2.97Å; K153-E157 VanDerWaalsContact O-N 3.16Å; K153-I160 HydrophobicContact CB-CG2 4.3Å; K153-I160 HydrophobicContact CG-CG2 3.46Å; K153-I160 VanDerWaalsContact CG-CG2 3.46Å
154E90.1Very high90.3Very high159 Ų15959.9 Ų59.974%0.74330%0.304SS*.Hα-helixtrans-52.5-36.6177.1-69.7172-171.900113.4Q150 A152Q150-E154 PolarHBondContact O-N 3.2Å; Q150-E154 VanDerWaalsContact O-N 3.15Å; A152-E154 VanDerWaalsContact C-N 3.32Å; A152-E154 PolarHBondContact O-N 3.47Å
155S83.4Confident90.4Very high77 Ų7759.5 Ų59.554%0.53830%0.302SS..Hα-helixtrans-108.6-26.6-176.5-61.40000113.6A152 K153A152-S155 PolarHBondContact O-N 3.34Å; K153-S155 PolarHBondContact O-N 3.39Å; K153-S155 VanDerWaalsContact O-N 3.13Å
156Y85.7Confident90.6Very high47 Ų4758.6 Ų58.618%0.18430%0.295CS..Hα-helixtrans-144.638.7-166.3-57.1-75.9000113.5Y95 P96 W98 A152 K153 A158 A159 I160 R206 L207Y95-Y156 HydrophobicContact CD1-CE2 4.3Å; Y95-Y156 WeakPolarHBondContact CE1-OH 3.41Å; P96-Y156 HydrophobicContact CG-CD2 4.2Å; P96-Y156 HydrophobicContact CG-CE2 4.36Å; W98-Y156 HydrophobicContact CZ3-CD2 4.32Å; W98-Y156 HydrophobicContact CZ3-CG 4.3Å; A152-Y156 PolarHBondContact O-N 2.9Å; K153-Y156 PolarHBondContact O-N 3.07Å; Y156-A158 PolarHBondContact O-N 2.88Å; Y156-A159 PolarHBondContact O-N 3.04Å; Y156-A159 VanDerWaalsContact O-N 3.08Å; Y156-I160 WeakPolarHBondContact O-CG2 3.33Å; Y156-I160 PolarHBondContact O-N 3.07Å; Y156-R206 HydrophobicContact CE1-CB 4.11Å; Y156-L207 HydrophobicContact CD1-CD1 4.36Å; Y156-L207 HydrophobicContact CD1-CD2 3.39Å; Y156-L207 HydrophobicContact CD1-CG 3.72Å; Y156-L207 HydrophobicContact CD2-CD2 4.03Å; Y156-L207 HydrophobicContact CE1-CD2 3.49Å; Y156-L207 VanDerWaalsContact CE1-CD2 3.49Å; Y156-L207 HydrophobicContact CE1-CG 3.91Å; Y156-L207 HydrophobicContact CE2-CD2 4.14Å; Y156-L207 HydrophobicContact CG-CD2 3.67Å; Y156-L207 HydrophobicContact CG-CG 4.37Å
157E87.9Confident90.8Very high130 Ų13053.5 Ų53.561%0.60727%0.268SS*.Hα-helixtrans-42.4-55.3-175-172.4176.7-161.800115.2K153 A159 I160 T161K153-E157 HydrophobicContact CG-CG 4.46Å; K153-E157 WeakPolarHBondContact O-CB 3.43Å; K153-E157 PolarHBondContact O-N 2.97Å; K153-E157 VanDerWaalsContact O-N 3.16Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.42Å; E157-I160 VanDerWaalsContact O-CG2 3.28Å; E157-I160 WeakPolarHBondContact O-CG2 3.42Å; E157-T161 VanDerWaalsContact O-CB 3.28Å; E157-T161 WeakPolarHBondContact O-CB 3.49Å; E157-T161 PolarHBondContact O-N 3.11Å; E157-T161 PolarHBondContact O-OG1 3.11Å
158A88.3Confident90.8Very high55 Ų5552.7 Ų52.746%0.45526%0.264SS..Hα-helixtrans-63.4-40.7-176.300000112.3Y156 W162 P200Y156-A158 PolarHBondContact O-N 2.88Å; A158-W162 WeakPolarHBondContact O-CB 3.26Å; A158-W162 PolarHBondContact O-N 3.41Å; A158-W162 VanDerWaalsContact O-N 3.08Å; A158-P200 HydrophobicContact CB-CB 3.88Å; A158-P200 HydrophobicContact CB-CG 3.94Å
159A87.6Confident91Very high0 Ų053.3 Ų53.30%027%0.267CS..Hα-helixtrans-76.3-37-175.700000112.6W98 Y156 E157 S163 P200 A203 L207W98-A159 HydrophobicContact CH2-CB 3.86Å; W98-A159 HydrophobicContact CZ2-CB 3.97Å; Y156-A159 PolarHBondContact O-N 3.04Å; Y156-A159 VanDerWaalsContact O-N 3.08Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.42Å; A159-S163 WeakPolarHBondContact O-CB 3.47Å; A159-S163 PolarHBondContact O-N 2.9Å; A159-S163 PolarHBondContact O-OG 3.14Å; A159-P200 HydrophobicContact CB-CG 4.34Å; A159-A203 HydrophobicContact CB-CB 4.01Å; A159-L207 HydrophobicContact CB-CD1 3.37Å
160I90.7Very high91.2Very high0 Ų053.3 Ų53.30%027%0.266CS..Hα-helixtrans-69.2-43.7175.9-173.664.8000110.4W89 W98 P99 A152 K153 Y156 E157 W162 S163 L164W89-I160 HydrophobicContact CH2-CD1 4.26Å; W89-I160 HydrophobicContact CZ3-CD1 3.99Å; W98-I160 HydrophobicContact CD2-CD1 4.34Å; W98-I160 HydrophobicContact CE3-CD1 4.1Å; W98-I160 HydrophobicContact CH2-CB 3.69Å; W98-I160 HydrophobicContact CH2-CD1 4.25Å; W98-I160 HydrophobicContact CZ2-CB 4.39Å; W98-I160 HydrophobicContact CZ2-CD1 4.45Å; W98-I160 HydrophobicContact CZ3-CB 3.88Å; W98-I160 HydrophobicContact CZ3-CD1 4.07Å; W98-I160 HydrophobicContact CZ3-CG1 4.46Å; P99-I160 VanDerWaalsContact CD-CD1 3.43Å; P99-I160 HydrophobicContact CG-CD1 3.89Å; A152-I160 HydrophobicContact CB-CB 4.16Å; A152-I160 HydrophobicContact CB-CD1 4.04Å; A152-I160 HydrophobicContact CB-CG1 3.83Å; A152-I160 HydrophobicContact CB-CG2 4.43Å; K153-I160 HydrophobicContact CB-CG2 4.3Å; K153-I160 HydrophobicContact CG-CG2 3.46Å; K153-I160 VanDerWaalsContact CG-CG2 3.46Å; Y156-I160 WeakPolarHBondContact O-CG2 3.33Å; Y156-I160 PolarHBondContact O-N 3.07Å; E157-I160 VanDerWaalsContact O-CG2 3.28Å; E157-I160 WeakPolarHBondContact O-CG2 3.42Å; I160-W162 PolarHBondContact O-N 3.46Å; I160-S163 PolarHBondContact O-N 3.01Å; I160-S163 VanDerWaalsContact O-N 3.14Å; I160-L164 HydrophobicContact CD1-CG 4.49Å; I160-L164 HydrophobicContact CG1-CD1 4.2Å; I160-L164 HydrophobicContact CG1-CG 4.48Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.39Å
161T92.3Very high91.4Very high44 Ų4452.8 Ų52.827%0.2726%0.258SS..Hα-helixtrans-60.3-48.2179.3-55.70000110.5E157 S163 L164 E165E157-T161 VanDerWaalsContact O-CB 3.28Å; E157-T161 WeakPolarHBondContact O-CB 3.49Å; E157-T161 PolarHBondContact O-N 3.11Å; E157-T161 PolarHBondContact O-OG1 3.11Å; T161-S163 VanDerWaalsContact C-N 3.33Å; T161-S163 PolarHBondContact O-N 3.39Å; T161-L164 PolarHBondContact O-N 3.4Å; T161-E165 WeakPolarHBondContact O-CG 3.41Å; T161-E165 PolarHBondContact O-N 3.27Å
162W92.5Very high91.5Very high6 Ų651.7 Ų51.72%0.02326%0.256CS..Hα-helixtrans-59.5-41.9174.7178.789.1000112.8V117 F121 A158 I160 L164 E165 F166 V195 Y199V117-W162 HydrophobicContact CG1-CZ3 4.42Å; F121-W162 HydrophobicContact CB-CH2 3.73Å; F121-W162 HydrophobicContact CB-CZ2 4.47Å; F121-W162 AromaticContact CD1-CH2 3.87Å; F121-W162 HydrophobicContact CD1-CH2 3.87Å; F121-W162 HydrophobicContact CD1-CZ2 4.02Å; F121-W162 AromaticContact CG-CH2 3.89Å; F121-W162 HydrophobicContact CG-CH2 3.89Å; F121-W162 HydrophobicContact CG-CZ2 4.17Å; A158-W162 WeakPolarHBondContact O-CB 3.26Å; A158-W162 PolarHBondContact O-N 3.41Å; A158-W162 VanDerWaalsContact O-N 3.08Å; I160-W162 PolarHBondContact O-N 3.46Å; W162-L164 VanDerWaalsContact C-N 3.3Å; W162-L164 PolarHBondContact O-N 2.9Å; W162-E165 PolarHBondContact O-N 3Å; W162-F166 HydrophobicContact CH2-CB 4.37Å; W162-F166 AromaticContact CH2-CD1 3.62Å; W162-F166 HydrophobicContact CH2-CD1 3.62Å; W162-F166 AromaticContact CH2-CE1 3.96Å; W162-F166 HydrophobicContact CH2-CE1 3.96Å; W162-F166 AromaticContact CH2-CG 3.98Å; W162-F166 HydrophobicContact CH2-CG 3.98Å; W162-F166 HydrophobicContact CZ2-CB 4.38Å; W162-F166 HydrophobicContact CZ2-CD1 4.05Å; W162-F166 HydrophobicContact CZ2-CD2 4.2Å; W162-F166 HydrophobicContact CZ2-CE1 4.34Å; W162-F166 HydrophobicContact CZ2-CE2 4.45Å; W162-F166 AromaticContact CZ2-CG 3.99Å; W162-F166 HydrophobicContact CZ2-CG 3.99Å; W162-F166 HydrophobicContact CZ3-CB 4.46Å; W162-F166 HydrophobicContact CZ3-CD1 4.16Å; W162-F166 HydrophobicContact CZ3-CG 4.49Å; W162-F166 VanDerWaalsContact O-CB 3.28Å; W162-F166 WeakPolarHBondContact O-CB 3.34Å; W162-F166 PolarHBondContact O-N 3Å; W162-V195 PolarHBondContact NE1-O 3.38Å; W162-Y199 AromaticContact CD2-CD2 3.49Å; W162-Y199 HydrophobicContact CD2-CD2 3.49Å; W162-Y199 VanDerWaalsContact CD2-CD2 3.49Å; W162-Y199 HydrophobicContact CD2-CE2 4.21Å; W162-Y199 HydrophobicContact CD2-CG 4.48Å; W162-Y199 AromaticContact CE2-CD2 3.56Å; W162-Y199 AromaticContact CE3-CD2 3.51Å; W162-Y199 HydrophobicContact CE3-CD2 3.51Å; W162-Y199 AromaticContact CE3-CE2 3.75Å; W162-Y199 HydrophobicContact CE3-CE2 3.75Å; W162-Y199 HydrophobicContact CG-CD2 4.18Å; W162-Y199 AromaticContact CH2-CD2 3.71Å; W162-Y199 HydrophobicContact CH2-CD2 3.71Å; W162-Y199 HydrophobicContact CH2-CE2 4.14Å; W162-Y199 AromaticContact CZ2-CD2 3.68Å; W162-Y199 HydrophobicContact CZ2-CD2 3.68Å; W162-Y199 HydrophobicContact CZ2-CG 4.3Å; W162-Y199 AromaticContact CZ3-CD2 3.63Å; W162-Y199 HydrophobicContact CZ3-CD2 3.63Å; W162-Y199 AromaticContact CZ3-CE2 3.73Å; W162-Y199 HydrophobicContact CZ3-CE2 3.73Å
163S91.8Very high91.8Very high0 Ų054.2 Ų54.20%027%0.266CS..Hα-helixtrans-62.9-38.5-179.6-60.70000111.8A159 I160 T161 I167A159-S163 WeakPolarHBondContact O-CB 3.47Å; A159-S163 PolarHBondContact O-N 2.9Å; A159-S163 PolarHBondContact O-OG 3.14Å; I160-S163 PolarHBondContact O-N 3.01Å; I160-S163 VanDerWaalsContact O-N 3.14Å; T161-S163 VanDerWaalsContact C-N 3.33Å; T161-S163 PolarHBondContact O-N 3.39Å; S163-I167 WeakPolarHBondContact O-CG1 3.36Å; S163-I167 PolarHBondContact O-N 3.46Å
164L93.4Very high92.1Very high34 Ų3453.8 Ų53.818%0.17827%0.266CS..Hα-helixtrans-69.8-48176.7-65.6173.5000111.5W89 F140 M149 I160 T161 W162 F166 I167 E168W89-L164 HydrophobicContact CH2-CD2 4.07Å; W89-L164 HydrophobicContact CZ2-CD2 4.24Å; F140-L164 HydrophobicContact CE2-CD2 3.7Å; F140-L164 HydrophobicContact CZ-CD2 3.55Å; M149-L164 HydrophobicContact CB-CD1 4.49Å; M149-L164 HydrophobicContact CG-CD1 3.78Å; M149-L164 HydrophobicContact SD-CD1 3.6Å; I160-L164 HydrophobicContact CD1-CG 4.49Å; I160-L164 HydrophobicContact CG1-CD1 4.2Å; I160-L164 HydrophobicContact CG1-CG 4.48Å; I160-L164 WeakPolarHBondContact O-CG 3.37Å; I160-L164 PolarHBondContact O-N 3.39Å; T161-L164 PolarHBondContact O-N 3.4Å; W162-L164 VanDerWaalsContact C-N 3.3Å; W162-L164 PolarHBondContact O-N 2.9Å; L164-F166 PolarHBondContact O-N 2.97Å; L164-I167 PolarHBondContact O-N 2.72Å; L164-E168 WeakPolarHBondContact O-CB 3.42Å; L164-E168 PolarHBondContact O-N 2.82Å
165E94.2Very high92.3Very high79 Ų7950.3 Ų50.337%0.36927%0.265SS..Hα-helixtrans-55.9-36.8174.5-73.3-180-175.500111.6T161 W162 E168 D169T161-E165 WeakPolarHBondContact O-CG 3.41Å; T161-E165 PolarHBondContact O-N 3.27Å; W162-E165 PolarHBondContact O-N 3Å; E165-E168 PolarHBondContact O-N 2.74Å; E165-D169 WeakPolarHBondContact O-CB 3.33Å; E165-D169 PolarHBondContact O-N 2.83Å
166F93.6Very high92.8Very high0 Ų051.7 Ų51.70%027%0.274CS..Hα-helixtrans-70.9-37.9-179.2-161.6-133.8000113.3V117 F121 W162 L164 Y170 F183 Y186 C187 V195 R196V117-F166 HydrophobicContact CG1-CD1 3.98Å; F121-F166 HydrophobicContact CB-CE1 4.4Å; W162-F166 HydrophobicContact CH2-CB 4.37Å; W162-F166 AromaticContact CH2-CD1 3.62Å; W162-F166 HydrophobicContact CH2-CD1 3.62Å; W162-F166 AromaticContact CH2-CE1 3.96Å; W162-F166 HydrophobicContact CH2-CE1 3.96Å; W162-F166 AromaticContact CH2-CG 3.98Å; W162-F166 HydrophobicContact CH2-CG 3.98Å; W162-F166 HydrophobicContact CZ2-CB 4.38Å; W162-F166 HydrophobicContact CZ2-CD1 4.05Å; W162-F166 HydrophobicContact CZ2-CD2 4.2Å; W162-F166 HydrophobicContact CZ2-CE1 4.34Å; W162-F166 HydrophobicContact CZ2-CE2 4.45Å; W162-F166 AromaticContact CZ2-CG 3.99Å; W162-F166 HydrophobicContact CZ2-CG 3.99Å; W162-F166 HydrophobicContact CZ3-CB 4.46Å; W162-F166 HydrophobicContact CZ3-CD1 4.16Å; W162-F166 HydrophobicContact CZ3-CG 4.49Å; W162-F166 VanDerWaalsContact O-CB 3.28Å; W162-F166 WeakPolarHBondContact O-CB 3.34Å; W162-F166 PolarHBondContact O-N 3Å; L164-F166 PolarHBondContact O-N 2.97Å; F166-Y170 PolarHBondContact O-N 3.37Å; F166-F183 HydrophobicContact CD1-CE2 4.2Å; F166-F183 AromaticContact CD1-CZ 3.63Å; F166-F183 HydrophobicContact CD1-CZ 3.63Å; F166-F183 HydrophobicContact CE1-CE2 4.41Å; F166-F183 AromaticContact CE1-CZ 3.89Å; F166-F183 HydrophobicContact CE1-CZ 3.89Å; F166-F183 HydrophobicContact CG-CZ 4.49Å; F166-Y186 AromaticContact CD2-CE1 3.94Å; F166-Y186 HydrophobicContact CD2-CE1 3.94Å; F166-Y186 HydrophobicContact CE1-CE1 4.41Å; F166-Y186 AromaticContact CE2-CE1 3.57Å; F166-Y186 HydrophobicContact CE2-CE1 3.57Å; F166-Y186 AromaticContact CE2-CZ 4Å; F166-Y186 HydrophobicContact CZ-CD1 4.36Å; F166-Y186 AromaticContact CZ-CE1 3.82Å; F166-Y186 HydrophobicContact CZ-CE1 3.82Å; F166-C187 HydrophobicContact CE1-CB 4.49Å; F166-C187 HydrophobicContact CZ-CB 4.49Å; F166-V195 HydrophobicContact CB-CG1 4.07Å; F166-V195 HydrophobicContact CD2-CB 3.72Å; F166-V195 HydrophobicContact CD2-CG1 3.53Å; F166-V195 HydrophobicContact CE2-CB 4.17Å; F166-V195 HydrophobicContact CE2-CG1 4.39Å; F166-V195 HydrophobicContact CG-CG1 4.25Å; F166-R196 HydrophobicContact CE2-CG 3.68Å; F166-R196 HydrophobicContact CZ-CG 3.72Å
167I94.8Very high93.2Very high1 Ų152.5 Ų52.51%0.00530%0.296CS..Hα-helixtrans-67-43.2171.9-67.4168.3000110.2F87 P99 V117 F140 S163 L164 Y170 R171 F183F87-I167 HydrophobicContact CD1-CD1 3.87Å; F87-I167 HydrophobicContact CD1-CG1 3.95Å; F87-I167 HydrophobicContact CD1-CG2 4.3Å; F87-I167 HydrophobicContact CD2-CG2 3.86Å; F87-I167 HydrophobicContact CE1-CD1 4.18Å; F87-I167 HydrophobicContact CE1-CG1 3.75Å; F87-I167 HydrophobicContact CE1-CG2 4.27Å; F87-I167 HydrophobicContact CE2-CG2 3.83Å; F87-I167 HydrophobicContact CG-CD1 4.36Å; F87-I167 HydrophobicContact CG-CG2 4.09Å; F87-I167 HydrophobicContact CZ-CG1 4.18Å; F87-I167 HydrophobicContact CZ-CG2 4.03Å; P99-I167 HydrophobicContact CB-CD1 3.82Å; V117-I167 HydrophobicContact CG1-CG1 4.24Å; V117-I167 HydrophobicContact CG2-CD1 3.7Å; V117-I167 HydrophobicContact CG2-CG1 3.96Å; F140-I167 HydrophobicContact CD2-CD1 4.43Å; F140-I167 HydrophobicContact CE1-CG2 3.99Å; F140-I167 HydrophobicContact CE2-CD1 3.66Å; F140-I167 HydrophobicContact CZ-CB 4.47Å; F140-I167 HydrophobicContact CZ-CD1 3.73Å; F140-I167 HydrophobicContact CZ-CG2 4.06Å; S163-I167 WeakPolarHBondContact O-CG1 3.36Å; S163-I167 PolarHBondContact O-N 3.46Å; L164-I167 PolarHBondContact O-N 2.72Å; I167-Y170 WeakPolarHBondContact O-CB 3.43Å; I167-Y170 PolarHBondContact O-N 3.29Å; I167-R171 HydrophobicContact CG2-CG 4.33Å; I167-R171 WeakPolarHBondContact O-CG 3.28Å; I167-R171 PolarHBondContact O-N 3.26Å; I167-F183 HydrophobicContact CG1-CZ 4.45Å
168E95.3Very high93.5Very high115 Ų11549 Ų4954%0.53729%0.286SS..Hα-helixtrans-62.6-46.9-179.3-169.7178.4-173.100111.4L164 E165 Y170 R171 M172L164-E168 WeakPolarHBondContact O-CB 3.42Å; L164-E168 PolarHBondContact O-N 2.82Å; E165-E168 PolarHBondContact O-N 2.74Å; E168-Y170 VanDerWaalsContact C-N 3.3Å; E168-Y170 PolarHBondContact O-N 3.49Å; E168-R171 PolarHBondContact O-N 3.15Å; E168-R171 VanDerWaalsContact O-N 3.13Å; E168-M172 HydrophobicContact CG-CE 4.18Å; E168-M172 HydrophobicContact CG-CG 4.47Å; E168-M172 WeakPolarHBondContact O-CB 3.46Å; E168-M172 WeakPolarHBondContact O-CG 3.28Å; E168-M172 PolarHBondContact O-N 2.97Å
169D96Very high93.8Very high26 Ų2647.4 Ų47.414%0.13927%0.269CS..Hα-helixtrans-59.8-40.9177.1-170.386.1000111.8E165 M172 R173 Y186 V195E165-D169 WeakPolarHBondContact O-CB 3.33Å; E165-D169 PolarHBondContact O-N 2.83Å; D169-M172 HydrophobicContact CB-CE 4.37Å; D169-M172 PolarHBondContact O-N 3.21Å; D169-R173 VanDerWaalsContact O-CG 3.28Å; D169-R173 WeakPolarHBondContact O-CG 3.12Å; D169-R173 PolarHBondContact O-N 3.39Å; D169-R173 IonicContact OD1-CZ 2.86Å; D169-R173 IonicContact OD1-NE 3.79Å; D169-R173 IonicContact OD1-NH2 3.18Å; D169-R173 PolarHBondContact OD1-NH2 3.19Å; D169-R173 VanDerWaalsContact OD1-NH2 3.13Å; D169-R173 IonicContact OD2-CZ 3.48Å; D169-R173 VanDerWaalsContact OD2-CZ 3.23Å; D169-R173 IonicContact OD2-NE 3.22Å; D169-R173 PolarHBondContact OD2-NE 2.86Å; D169-R173 IonicContact OD2-NH2 3.19Å; D169-R173 PolarHBondContact OD2-NH2 3.14Å; D169-Y186 PolarHBondContact OD2-OH 2.97Å; D169-V195 HydrophobicContact CB-CG2 3.82Å
170Y95.6Very high94Very high35 Ų3553.3 Ų53.314%0.13731%0.31CS..Hα-helixtrans-60.8-51172169-109.4000112.3F87 F166 I167 E168 M172 R173 I174 F179 G181 F183 Y186F87-Y170 AromaticContact CE2-CD1 3.83Å; F87-Y170 HydrophobicContact CE2-CD1 3.83Å; F87-Y170 AromaticContact CE2-CE1 3.9Å; F87-Y170 HydrophobicContact CE2-CE1 3.9Å; F87-Y170 AromaticContact CZ-CD1 3.83Å; F87-Y170 HydrophobicContact CZ-CD1 3.83Å; F87-Y170 HydrophobicContact CZ-CE1 4.06Å; F166-Y170 PolarHBondContact O-N 3.37Å; I167-Y170 WeakPolarHBondContact O-CB 3.43Å; I167-Y170 PolarHBondContact O-N 3.29Å; E168-Y170 VanDerWaalsContact C-N 3.3Å; E168-Y170 PolarHBondContact O-N 3.49Å; Y170-M172 VanDerWaalsContact C-N 3.3Å; Y170-M172 PolarHBondContact O-N 2.99Å; Y170-R173 PolarHBondContact O-N 2.97Å; Y170-R173 VanDerWaalsContact O-N 3.16Å; Y170-I174 HydrophobicContact CD2-CG1 4.07Å; Y170-I174 HydrophobicContact CE1-CG1 4.24Å; Y170-I174 HydrophobicContact CE2-CD1 3.8Å; Y170-I174 HydrophobicContact CE2-CG1 3.66Å; Y170-I174 WeakPolarHBondContact O-CG1 3.12Å; Y170-I174 PolarHBondContact O-N 2.93Å; Y170-F179 HydrophobicContact CD2-CD1 4.29Å; Y170-F179 HydrophobicContact CD2-CE1 4.41Å; Y170-F179 HydrophobicContact CE2-CD1 4.05Å; Y170-F179 AromaticContact CE2-CE1 3.99Å; Y170-F179 HydrophobicContact CE2-CE1 3.99Å; Y170-G181 PolarHBondContact OH-O 2.92Å; Y170-F183 HydrophobicContact CD1-CB 4.36Å; Y170-F183 AromaticContact CD1-CD2 3.63Å; Y170-F183 HydrophobicContact CD1-CD2 3.63Å; Y170-F183 HydrophobicContact CD1-CE2 4.4Å; Y170-F183 HydrophobicContact CD1-CG 4.44Å; Y170-F183 AromaticContact CD2-CD2 3.97Å; Y170-F183 HydrophobicContact CD2-CD2 3.97Å; Y170-F183 HydrophobicContact CE1-CB 4.04Å; Y170-F183 HydrophobicContact CE1-CD2 4.18Å; Y170-F183 HydrophobicContact CE2-CB 4.27Å; Y170-F183 HydrophobicContact CE2-CD2 4.47Å; Y170-F183 AromaticContact CG-CD2 3.5Å; Y170-F183 HydrophobicContact CG-CD2 3.5Å; Y170-F183 HydrophobicContact CG-CE2 4.16Å; Y170-F183 PolarHBondContact OH-N 2.89Å; Y170-Y186 AromaticContact CD2-CD1 3.9Å; Y170-Y186 HydrophobicContact CD2-CD1 3.9Å; Y170-Y186 HydrophobicContact CD2-CD2 4.32Å; Y170-Y186 AromaticContact CD2-CG 3.67Å; Y170-Y186 HydrophobicContact CD2-CG 3.67Å; Y170-Y186 HydrophobicContact CG-CD1 4.17Å; Y170-Y186 HydrophobicContact CG-CG 4.37Å
171R95.2Very high94.1Very high109 Ų10954 Ų5441%0.41132%0.317SS..Hα-helixtrans-59.4-41.8180-73.317782.1164.710.3111.2D141 I167 E168 I174 A175D141-R171 IonicContact OD1-CZ 2.96Å; D141-R171 IonicContact OD1-NH1 3.41Å; D141-R171 PolarHBondContact OD1-NH1 3.07Å; D141-R171 IonicContact OD1-NH2 2.74Å; D141-R171 IonicContact OD2-CZ 2.63Å; D141-R171 IonicContact OD2-NH1 2.62Å; D141-R171 PolarHBondContact OD2-NH1 3.3Å; D141-R171 IonicContact OD2-NH2 3.47Å; D141-R171 PolarHBondContact OD2-NH2 3.16Å; I167-R171 HydrophobicContact CG2-CG 4.33Å; I167-R171 WeakPolarHBondContact O-CG 3.28Å; I167-R171 PolarHBondContact O-N 3.26Å; E168-R171 PolarHBondContact O-N 3.15Å; E168-R171 VanDerWaalsContact O-N 3.13Å; R171-I174 PolarHBondContact O-N 3.06Å; R171-A175 VanDerWaalsContact O-CB 3.3Å; R171-A175 WeakPolarHBondContact O-CB 3.24Å; R171-A175 PolarHBondContact O-N 3.12Å
172M95Very high94.1Very high93 Ų9354.3 Ų54.346%0.45832%0.321SS..Hα-helixtrans-61.9-44.4175.7-73.3-169.6-66.400111.7E168 D169 Y170 I174 A175 C176E168-M172 HydrophobicContact CG-CE 4.18Å; E168-M172 HydrophobicContact CG-CG 4.47Å; E168-M172 WeakPolarHBondContact O-CB 3.46Å; E168-M172 WeakPolarHBondContact O-CG 3.28Å; E168-M172 PolarHBondContact O-N 2.97Å; D169-M172 HydrophobicContact CB-CE 4.37Å; D169-M172 PolarHBondContact O-N 3.21Å; Y170-M172 VanDerWaalsContact C-N 3.3Å; Y170-M172 PolarHBondContact O-N 2.99Å; M172-I174 VanDerWaalsContact C-N 3.35Å; M172-I174 PolarHBondContact O-N 2.91Å; M172-A175 PolarHBondContact O-N 3.15Å; M172-C176 WeakPolarHBondContact O-CB 3.29Å; M172-C176 PolarHBondContact O-N 3.42Å; M172-C176 PolarHBondContact O-SG 3.33Å
173R95.1Very high94Very high53 Ų5354.2 Ų54.220%0.232%0.321CS..Hα-helixtrans-64.9-38.8180-73.8179.3-165-66.9-18.2113.2D169 Y170 G177 S178 F179 M191D169-R173 VanDerWaalsContact O-CG 3.28Å; D169-R173 WeakPolarHBondContact O-CG 3.12Å; D169-R173 PolarHBondContact O-N 3.39Å; D169-R173 IonicContact OD1-CZ 2.86Å; D169-R173 IonicContact OD1-NE 3.79Å; D169-R173 IonicContact OD1-NH2 3.18Å; D169-R173 PolarHBondContact OD1-NH2 3.19Å; D169-R173 VanDerWaalsContact OD1-NH2 3.13Å; D169-R173 IonicContact OD2-CZ 3.48Å; D169-R173 VanDerWaalsContact OD2-CZ 3.23Å; D169-R173 IonicContact OD2-NE 3.22Å; D169-R173 PolarHBondContact OD2-NE 2.86Å; D169-R173 IonicContact OD2-NH2 3.19Å; D169-R173 PolarHBondContact OD2-NH2 3.14Å; Y170-R173 PolarHBondContact O-N 2.97Å; Y170-R173 VanDerWaalsContact O-N 3.16Å; R173-G177 PolarHBondContact O-N 3.08Å; R173-S178 WeakPolarHBondContact CA-OG 3.38Å; R173-S178 VanDerWaalsContact CB-OG 3.31Å; R173-S178 WeakPolarHBondContact CB-OG 3.3Å; R173-S178 WeakPolarHBondContact CG-OG 3.42Å; R173-S178 PolarHBondContact O-N 3.11Å; R173-S178 PolarHBondContact O-OG 2.74Å; R173-F179 HydrophobicContact CB-CB 3.81Å; R173-F179 PolarHBondContact O-N 3.23Å; R173-M191 VanDerWaalsContact CZ-O 3.24Å; R173-M191 PolarHBondContact NE-O 2.91Å; R173-M191 PolarHBondContact NH2-O 3.48Å; R173-M191 VanDerWaalsContact NH2-O 3.14Å
174I95.2Very high93.9Very high66 Ų6655.8 Ų55.834%0.33833%0.329SS..Hα-helixtrans-64.4-48.8172.8-64.3-62.9000109.9Y170 R171 M172 C176 G177 F179Y170-I174 HydrophobicContact CD2-CG1 4.07Å; Y170-I174 HydrophobicContact CE1-CG1 4.24Å; Y170-I174 HydrophobicContact CE2-CD1 3.8Å; Y170-I174 HydrophobicContact CE2-CG1 3.66Å; Y170-I174 WeakPolarHBondContact O-CG1 3.12Å; Y170-I174 PolarHBondContact O-N 2.93Å; R171-I174 PolarHBondContact O-N 3.06Å; M172-I174 VanDerWaalsContact C-N 3.35Å; M172-I174 PolarHBondContact O-N 2.91Å; I174-C176 VanDerWaalsContact C-N 3.31Å; I174-C176 PolarHBondContact O-N 3.39Å; I174-G177 PolarHBondContact O-N 3.26Å; I174-F179 HydrophobicContact CD1-CB 4.48Å; I174-F179 HydrophobicContact CD1-CD1 3.7Å; I174-F179 HydrophobicContact CD1-CE1 4.49Å; I174-F179 WeakPolarHBondContact CD1-O 3.4Å
175A94.9Very high93.8Very high87 Ų8759.5 Ų59.572%0.71935%0.345SS*.Hα-helixtrans-61.9-37.6-178.200000112.9R171 M172 G177R171-A175 VanDerWaalsContact O-CB 3.3Å; R171-A175 WeakPolarHBondContact O-CB 3.24Å; R171-A175 PolarHBondContact O-N 3.12Å; M172-A175 PolarHBondContact O-N 3.15Å; A175-G177 VanDerWaalsContact C-N 3.27Å; A175-G177 PolarHBondContact O-N 3.34Å
176C93.9Very high93.7Very high106 Ų10655.8 Ų55.872%0.71633%0.328SS*.THydrogen-bonded Turntrans-82.40.3176.6-63.20000113.6M172 I174 S178M172-C176 WeakPolarHBondContact O-CB 3.29Å; M172-C176 PolarHBondContact O-N 3.42Å; M172-C176 PolarHBondContact O-SG 3.33Å; I174-C176 VanDerWaalsContact C-N 3.31Å; I174-C176 PolarHBondContact O-N 3.39Å; C176-S178 PolarHBondContact O-N 3.42Å; C176-S178 VanDerWaalsContact O-N 3.14Å
177G92.9Very high93.5Very high63 Ų6355.8 Ų55.865%0.64933%0.328SS*.THydrogen-bonded Turntrans67.28.4-177.300000115.1R173 I174 A175 F179R173-G177 PolarHBondContact O-N 3.08Å; I174-G177 PolarHBondContact O-N 3.26Å; A175-G177 VanDerWaalsContact C-N 3.27Å; A175-G177 PolarHBondContact O-N 3.34Å; G177-F179 VanDerWaalsContact C-N 3.25Å; G177-F179 PolarHBondContact O-N 3.44Å
178S94.6Very high93.1Very high56 Ų5660.2 Ų60.239%0.39235%0.351SS..SBendtrans-74.1-16.2178.967.60000113.4R173 C176 M191R173-S178 WeakPolarHBondContact CA-OG 3.38Å; R173-S178 VanDerWaalsContact CB-OG 3.31Å; R173-S178 WeakPolarHBondContact CB-OG 3.3Å; R173-S178 WeakPolarHBondContact CG-OG 3.42Å; R173-S178 PolarHBondContact O-N 3.11Å; R173-S178 PolarHBondContact O-OG 2.74Å; C176-S178 PolarHBondContact O-N 3.42Å; C176-S178 VanDerWaalsContact O-N 3.14Å; S178-M191 VanDerWaalsContact O-CE 3.27Å; S178-M191 WeakPolarHBondContact O-CE 3.09Å
179F95.7Very high92.9Very high23 Ų2358.4 Ų58.410%0.10134%0.343CS..  trans-142.8149.2175.7-172.2-107.9000109Y170 R173 I174 G177 G181 E185 H189 M191Y170-F179 HydrophobicContact CD2-CD1 4.29Å; Y170-F179 HydrophobicContact CD2-CE1 4.41Å; Y170-F179 HydrophobicContact CE2-CD1 4.05Å; Y170-F179 AromaticContact CE2-CE1 3.99Å; Y170-F179 HydrophobicContact CE2-CE1 3.99Å; R173-F179 HydrophobicContact CB-CB 3.81Å; R173-F179 PolarHBondContact O-N 3.23Å; I174-F179 HydrophobicContact CD1-CB 4.48Å; I174-F179 HydrophobicContact CD1-CD1 3.7Å; I174-F179 HydrophobicContact CD1-CE1 4.49Å; I174-F179 WeakPolarHBondContact CD1-O 3.4Å; G177-F179 VanDerWaalsContact C-N 3.25Å; G177-F179 PolarHBondContact O-N 3.44Å; F179-G181 VanDerWaalsContact CE1-N 3.26Å; F179-G181 VanDerWaalsContact CE1-O 3.23Å; F179-G181 WeakPolarHBondContact CE1-O 3.42Å; F179-E185 HydrophobicContact CZ-CB 4.02Å; F179-H189 HydrophobicContact CE2-CB 4.25Å; F179-M191 HydrophobicContact CB-SD 4.28Å; F179-M191 HydrophobicContact CD2-SD 4.02Å
180S92.4Very high92.7Very high123 Ų12363.5 Ų63.586%0.8637%0.37SS*.  trans-134.75.1-177.756.50000113.8
181G91.9Very high92.5Very high14 Ų1465 Ų6514%0.14438%0.379CS..SBendtrans-88.8178.3-179.700000113.9Y170 F179 E185Y170-G181 PolarHBondContact OH-O 2.92Å; F179-G181 VanDerWaalsContact CE1-N 3.26Å; F179-G181 VanDerWaalsContact CE1-O 3.23Å; F179-G181 WeakPolarHBondContact CE1-O 3.42Å; G181-E185 WeakPolarHBondContact CA-OE2 3.42Å
182S91.5Very high92.3Very high52 Ų5259.8 Ų59.836%0.36436%0.359SS..  trans-71.2163.1172.670.20000112.3I184 E185 Y186S182-I184 PolarHBondContact O-N 3.33Å; S182-E185 PolarHBondContact N-OE2 2.99Å; S182-E185 WeakPolarHBondContact O-CB 3.29Å; S182-E185 PolarHBondContact O-N 3.08Å; S182-E185 WeakPolarHBondContact OG-CG 3.19Å; S182-E185 PolarHBondContact OG-N 3.06Å; S182-Y186 PolarHBondContact O-N 3.16Å
183F91.5Very high92Very high4 Ų461.3 Ų61.32%0.01836%0.361CS..Hα-helixtrans-56.1-36.7174.4-175.5-112.4000112.5F87 L101 V117 A120 F166 I167 Y170 Y186 C187F87-F183 AromaticContact CE1-CD1 3.91Å; F87-F183 HydrophobicContact CE1-CD1 3.91Å; F87-F183 HydrophobicContact CE1-CD2 4.06Å; F87-F183 HydrophobicContact CE1-CE1 4.04Å; F87-F183 HydrophobicContact CE1-CE2 4.18Å; F87-F183 AromaticContact CE1-CG 3.89Å; F87-F183 HydrophobicContact CE1-CG 3.89Å; F87-F183 HydrophobicContact CE1-CZ 4.16Å; F87-F183 HydrophobicContact CZ-CB 4.01Å; F87-F183 HydrophobicContact CZ-CD1 4.13Å; F87-F183 AromaticContact CZ-CD2 3.54Å; F87-F183 HydrophobicContact CZ-CD2 3.54Å; F87-F183 HydrophobicContact CZ-CE1 4.48Å; F87-F183 AromaticContact CZ-CE2 3.93Å; F87-F183 HydrophobicContact CZ-CE2 3.93Å; F87-F183 AromaticContact CZ-CG 3.62Å; F87-F183 HydrophobicContact CZ-CG 3.62Å; F87-F183 HydrophobicContact CZ-CZ 4.38Å; L101-F183 HydrophobicContact CD1-CB 4.16Å; L101-F183 HydrophobicContact CD2-CB 4.17Å; L101-F183 HydrophobicContact CD2-CD1 4.14Å; V117-F183 HydrophobicContact CG1-CE1 4.21Å; V117-F183 HydrophobicContact CG1-CZ 3.91Å; V117-F183 HydrophobicContact CG2-CE1 4.32Å; A120-F183 HydrophobicContact CB-CE1 4.17Å; F166-F183 HydrophobicContact CD1-CE2 4.2Å; F166-F183 AromaticContact CD1-CZ 3.63Å; F166-F183 HydrophobicContact CD1-CZ 3.63Å; F166-F183 HydrophobicContact CE1-CE2 4.41Å; F166-F183 AromaticContact CE1-CZ 3.89Å; F166-F183 HydrophobicContact CE1-CZ 3.89Å; F166-F183 HydrophobicContact CG-CZ 4.49Å; I167-F183 HydrophobicContact CG1-CZ 4.45Å; Y170-F183 HydrophobicContact CD1-CB 4.36Å; Y170-F183 AromaticContact CD1-CD2 3.63Å; Y170-F183 HydrophobicContact CD1-CD2 3.63Å; Y170-F183 HydrophobicContact CD1-CE2 4.4Å; Y170-F183 HydrophobicContact CD1-CG 4.44Å; Y170-F183 AromaticContact CD2-CD2 3.97Å; Y170-F183 HydrophobicContact CD2-CD2 3.97Å; Y170-F183 HydrophobicContact CE1-CB 4.04Å; Y170-F183 HydrophobicContact CE1-CD2 4.18Å; Y170-F183 HydrophobicContact CE2-CB 4.27Å; Y170-F183 HydrophobicContact CE2-CD2 4.47Å; Y170-F183 AromaticContact CG-CD2 3.5Å; Y170-F183 HydrophobicContact CG-CD2 3.5Å; Y170-F183 HydrophobicContact CG-CE2 4.16Å; Y170-F183 PolarHBondContact OH-N 2.89Å; F183-Y186 AromaticContact CD2-CD1 3.95Å; F183-Y186 HydrophobicContact CD2-CD1 3.95Å; F183-Y186 AromaticContact CE2-CD1 3.94Å; F183-Y186 HydrophobicContact CE2-CD1 3.94Å; F183-Y186 HydrophobicContact CE2-CE1 4.24Å; F183-Y186 WeakPolarHBondContact O-CB 3.05Å; F183-Y186 PolarHBondContact O-N 3.09Å; F183-C187 PolarHBondContact O-N 3.21Å; F183-C187 PolarHBondContact O-SG 3.38Å
184I89.6Confident91.9Very high32 Ų3262 Ų6216%0.16437%0.373CS..Hα-helixtrans-66.4-40.7178-61.9-58.5000111.5L101 M115 A120 S182 Y186 C187 N188L101-I184 HydrophobicContact CD2-CD1 3.71Å; L101-I184 HydrophobicContact CD2-CG1 3.72Å; M115-I184 HydrophobicContact SD-CD1 3.96Å; A120-I184 HydrophobicContact CB-CD1 4.11Å; S182-I184 PolarHBondContact O-N 3.33Å; I184-Y186 VanDerWaalsContact C-N 3.35Å; I184-C187 PolarHBondContact O-N 2.79Å; I184-N188 PolarHBondContact O-N 3.08Å; I184-N188 PolarHBondContact O-ND2 3.43Å
185E90.9Very high91.7Very high113 Ų11359.6 Ų59.653%0.52836%0.361SS..Hα-helixtrans-64.7-42.5173.7-71.7165.4175.800110.6F179 G181 S182 C187 N188 H189F179-E185 HydrophobicContact CZ-CB 4.02Å; G181-E185 WeakPolarHBondContact CA-OE2 3.42Å; S182-E185 PolarHBondContact N-OE2 2.99Å; S182-E185 WeakPolarHBondContact O-CB 3.29Å; S182-E185 PolarHBondContact O-N 3.08Å; S182-E185 WeakPolarHBondContact OG-CG 3.19Å; S182-E185 PolarHBondContact OG-N 3.06Å; E185-C187 PolarHBondContact O-N 3.15Å; E185-N188 CarbonylContact O-C 3.49Å; E185-N188 PolarHBondContact O-N 3.49Å; E185-N188 VanDerWaalsContact O-N 3.07Å; E185-H189 WeakPolarHBondContact O-CB 3.46Å; E185-H189 PolarHBondContact O-N 3.13Å
186Y92.2Very high91.4Very high0 Ų057.9 Ų57.90%034%0.336CS..Hα-helixtrans-57.7-44.6174.6168.4-104.1000112.2F166 D169 Y170 S182 F183 I184 N188 H189 S192F166-Y186 AromaticContact CD2-CE1 3.94Å; F166-Y186 HydrophobicContact CD2-CE1 3.94Å; F166-Y186 HydrophobicContact CE1-CE1 4.41Å; F166-Y186 AromaticContact CE2-CE1 3.57Å; F166-Y186 HydrophobicContact CE2-CE1 3.57Å; F166-Y186 AromaticContact CE2-CZ 4Å; F166-Y186 HydrophobicContact CZ-CD1 4.36Å; F166-Y186 AromaticContact CZ-CE1 3.82Å; F166-Y186 HydrophobicContact CZ-CE1 3.82Å; D169-Y186 PolarHBondContact OD2-OH 2.97Å; Y170-Y186 AromaticContact CD2-CD1 3.9Å; Y170-Y186 HydrophobicContact CD2-CD1 3.9Å; Y170-Y186 HydrophobicContact CD2-CD2 4.32Å; Y170-Y186 AromaticContact CD2-CG 3.67Å; Y170-Y186 HydrophobicContact CD2-CG 3.67Å; Y170-Y186 HydrophobicContact CG-CD1 4.17Å; Y170-Y186 HydrophobicContact CG-CG 4.37Å; S182-Y186 PolarHBondContact O-N 3.16Å; F183-Y186 AromaticContact CD2-CD1 3.95Å; F183-Y186 HydrophobicContact CD2-CD1 3.95Å; F183-Y186 AromaticContact CE2-CD1 3.94Å; F183-Y186 HydrophobicContact CE2-CD1 3.94Å; F183-Y186 HydrophobicContact CE2-CE1 4.24Å; F183-Y186 WeakPolarHBondContact O-CB 3.05Å; F183-Y186 PolarHBondContact O-N 3.09Å; I184-Y186 VanDerWaalsContact C-N 3.35Å; Y186-N188 PolarHBondContact O-N 3.04Å; Y186-N188 VanDerWaalsContact O-N 3.11Å; Y186-H189 WeakPolarHBondContact O-CB 3.4Å; Y186-H189 PolarHBondContact O-N 3.15Å; Y186-S192 WeakPolarHBondContact O-CB 3.41Å; Y186-S192 PolarHBondContact O-OG 3.06Å; Y186-S192 WeakPolarHBondContact OH-CA 3.46Å; Y186-S192 WeakPolarHBondContact OH-CB 3.49Å
187C88.8Confident91.1Very high1 Ų161.2 Ų61.21%0.00733%0.333CS..Hα-helixtrans-55.6-30.7176.4-64.40000113.1F166 F183 I184 E185 S192 R196F166-C187 HydrophobicContact CE1-CB 4.49Å; F166-C187 HydrophobicContact CZ-CB 4.49Å; F183-C187 PolarHBondContact O-N 3.21Å; F183-C187 PolarHBondContact O-SG 3.38Å; I184-C187 PolarHBondContact O-N 2.79Å; E185-C187 PolarHBondContact O-N 3.15Å; C187-S192 PolarHBondContact O-OG 3.32Å; C187-R196 VanDerWaalsContact O-CD 3.24Å; C187-R196 WeakPolarHBondContact O-CD 3.48Å
188N87.1Confident90.9Very high93 Ų9364.8 Ų64.850%0.49733%0.331SS..Hα-helixtrans-97.1-3.2-179.8-59.1-45.2000113.2Q125 I184 E185 Y186Q125-N188 PolarHBondContact NE2-ND2 3.4Å; Q125-N188 PolarHBondContact NE2-OD1 3.19Å; Q125-N188 VanDerWaalsContact NE2-OD1 3.09Å; I184-N188 PolarHBondContact O-N 3.08Å; I184-N188 PolarHBondContact O-ND2 3.43Å; E185-N188 CarbonylContact O-C 3.49Å; E185-N188 PolarHBondContact O-N 3.49Å; E185-N188 VanDerWaalsContact O-N 3.07Å; Y186-N188 PolarHBondContact O-N 3.04Å; Y186-N188 VanDerWaalsContact O-N 3.11Å
189H91.1Very high90.5Very high77 Ų7763.7 Ų63.736%0.35632%0.318SS..SBendtrans-89.7153.1-177.1-162.4-97.7000112.1F179 E185 Y186 M191 S192 R196F179-H189 HydrophobicContact CE2-CB 4.25Å; E185-H189 WeakPolarHBondContact O-CB 3.46Å; E185-H189 PolarHBondContact O-N 3.13Å; Y186-H189 WeakPolarHBondContact O-CB 3.4Å; Y186-H189 PolarHBondContact O-N 3.15Å; H189-M191 WeakPolarHBondContact ND1-CB 3.42Å; H189-M191 VanDerWaalsContact ND1-CG 3.31Å; H189-M191 WeakPolarHBondContact ND1-CG 3.28Å; H189-M191 PolarHBondContact ND1-N 3.27Å; H189-M191 PolarHBondContact O-N 2.86Å; H189-S192 PolarHBondContact O-N 3.02Å; H189-S192 PolarHBondContact O-OG 2.95Å; H189-R196 PolarHBondContact O-NH2 3.03Å
190D90.8Very high89.7Confident133 Ų13363.9 Ų63.971%0.71132%0.322SS*.G310 helixtrans-65.7-28179.4-69.9-26000112.8S192 Y193D190-S192 PolarHBondContact O-N 3.26Å; D190-S192 VanDerWaalsContact O-N 3.14Å; D190-Y193 WeakPolarHBondContact O-CB 3.47Å; D190-Y193 PolarHBondContact O-N 3.35Å
191M91.3Very high88.5Confident66 Ų6665.8 Ų65.833%0.32532%0.317SS..G310 helixtrans-57.9-27.6175.5-74173.8-179.200113.4R173 S178 F179 H189 Y193 P194R173-M191 VanDerWaalsContact CZ-O 3.24Å; R173-M191 PolarHBondContact NE-O 2.91Å; R173-M191 PolarHBondContact NH2-O 3.48Å; R173-M191 VanDerWaalsContact NH2-O 3.14Å; S178-M191 VanDerWaalsContact O-CE 3.27Å; S178-M191 WeakPolarHBondContact O-CE 3.09Å; F179-M191 HydrophobicContact CB-SD 4.28Å; F179-M191 HydrophobicContact CD2-SD 4.02Å; H189-M191 WeakPolarHBondContact ND1-CB 3.42Å; H189-M191 VanDerWaalsContact ND1-CG 3.31Å; H189-M191 WeakPolarHBondContact ND1-CG 3.28Å; H189-M191 PolarHBondContact ND1-N 3.27Å; H189-M191 PolarHBondContact O-N 2.86Å; M191-Y193 VanDerWaalsContact C-N 3.32Å; M191-P194 VanDerWaalsContact O-CD 3.3Å; M191-P194 WeakPolarHBondContact O-CD 3.43Å
192S91.3Very high86.9Confident0 Ų068.8 Ų68.80%034%0.341CS..G310 helixtrans-83-10.9178.867.80000113.2Y186 C187 H189 D190 P194 V195 R196Y186-S192 WeakPolarHBondContact O-CB 3.41Å; Y186-S192 PolarHBondContact O-OG 3.06Å; Y186-S192 WeakPolarHBondContact OH-CA 3.46Å; Y186-S192 WeakPolarHBondContact OH-CB 3.49Å; C187-S192 PolarHBondContact O-OG 3.32Å; H189-S192 PolarHBondContact O-N 3.02Å; H189-S192 PolarHBondContact O-OG 2.95Å; D190-S192 PolarHBondContact O-N 3.26Å; D190-S192 VanDerWaalsContact O-N 3.14Å; S192-P194 VanDerWaalsContact C-CD 3.41Å; S192-V195 PolarHBondContact O-N 3.39Å; S192-V195 VanDerWaalsContact O-N 3.15Å; S192-R196 VanDerWaalsContact O-CG 3.29Å; S192-R196 WeakPolarHBondContact O-CG 3.35Å; S192-R196 PolarHBondContact O-N 3.47Å; S192-R196 WeakPolarHBondContact OG-CD 3.3Å; S192-R196 PolarHBondContact OG-NE 3.19Å
193Y90.3Very high85.2Confident126 Ų12667.2 Ų67.249%0.49433%0.331SS..Hα-helixtrans-52.8-42.7-176.9-176.5-105.4000114.9D190 M191 V195 R196 R197D190-Y193 WeakPolarHBondContact O-CB 3.47Å; D190-Y193 PolarHBondContact O-N 3.35Å; M191-Y193 VanDerWaalsContact C-N 3.32Å; Y193-V195 PolarHBondContact O-N 2.91Å; Y193-R196 PolarHBondContact O-N 3.18Å; Y193-R197 WeakPolarHBondContact O-CG 3.39Å; Y193-R197 PolarHBondContact O-N 2.97Å
194P91.8Very high83.5Confident68 Ų6868.8 Ų68.844%0.44234%0.342SS..Hα-helixtrans-59.2-31.6-180-25.236.2000114.1M191 S192 R197M191-P194 VanDerWaalsContact O-CD 3.3Å; M191-P194 WeakPolarHBondContact O-CD 3.43Å; S192-P194 VanDerWaalsContact C-CD 3.41Å; P194-R197 VanDerWaalsContact O-CG 3.3Å; P194-R197 WeakPolarHBondContact O-CG 3.47Å
195V91.1Very high81.5Confident14 Ų1474.9 Ų74.99%0.08537%0.37CS..Hα-helixtrans-88.7-41.4176.7-169.70000110.4W162 F166 D169 S192 Y193 R197 K198W162-V195 PolarHBondContact NE1-O 3.38Å; F166-V195 HydrophobicContact CB-CG1 4.07Å; F166-V195 HydrophobicContact CD2-CB 3.72Å; F166-V195 HydrophobicContact CD2-CG1 3.53Å; F166-V195 HydrophobicContact CE2-CB 4.17Å; F166-V195 HydrophobicContact CE2-CG1 4.39Å; F166-V195 HydrophobicContact CG-CG1 4.25Å; D169-V195 HydrophobicContact CB-CG2 3.82Å; S192-V195 PolarHBondContact O-N 3.39Å; S192-V195 VanDerWaalsContact O-N 3.15Å; Y193-V195 PolarHBondContact O-N 2.91Å; V195-R197 VanDerWaalsContact C-N 3.3Å; V195-R197 PolarHBondContact O-N 3.31Å; V195-K198 WeakPolarHBondContact O-CB 3.3Å; V195-K198 PolarHBondContact O-N 3.23Å
196R89.2Confident79.7Confident51 Ų5178.4 Ų78.419%0.19238%0.378CS..Hα-helixtrans-55.8-40.3178-72-174.5-50.3137.3-9.6113.1F121 F166 C187 H189 S192 Y193 K198 Y199F121-R196 HydrophobicContact CD2-CB 4.11Å; F121-R196 VanDerWaalsContact CD2-CD 3.42Å; F121-R196 HydrophobicContact CD2-CG 3.51Å; F121-R196 HydrophobicContact CE2-CB 3.44Å; F121-R196 VanDerWaalsContact CE2-CB 3.44Å; F121-R196 HydrophobicContact CE2-CG 3.36Å; F121-R196 HydrophobicContact CG-CG 4.46Å; F121-R196 HydrophobicContact CZ-CB 3.81Å; F121-R196 HydrophobicContact CZ-CG 4.17Å; F166-R196 HydrophobicContact CE2-CG 3.68Å; F166-R196 HydrophobicContact CZ-CG 3.72Å; C187-R196 VanDerWaalsContact O-CD 3.24Å; C187-R196 WeakPolarHBondContact O-CD 3.48Å; H189-R196 PolarHBondContact O-NH2 3.03Å; S192-R196 VanDerWaalsContact O-CG 3.29Å; S192-R196 WeakPolarHBondContact O-CG 3.35Å; S192-R196 PolarHBondContact O-N 3.47Å; S192-R196 WeakPolarHBondContact OG-CD 3.3Å; S192-R196 PolarHBondContact OG-NE 3.19Å; Y193-R196 PolarHBondContact O-N 3.18Å; R196-K198 PolarHBondContact O-N 2.96Å; R196-Y199 VanDerWaalsContact O-CB 3.3Å; R196-Y199 WeakPolarHBondContact O-CB 3.39Å; R196-Y199 PolarHBondContact O-N 3.21Å; R196-Y199 VanDerWaalsContact O-N 3.15Å
197R88.1Confident78Confident176 Ų17678.9 Ų78.966%0.66438%0.381SS*.THydrogen-bonded Turntrans-65.6-16.5178.667.2177.3-77.2149.7-2.4114.6Y193 P194 V195Y193-R197 WeakPolarHBondContact O-CG 3.39Å; Y193-R197 PolarHBondContact O-N 2.97Å; P194-R197 VanDerWaalsContact O-CG 3.3Å; P194-R197 WeakPolarHBondContact O-CG 3.47Å; V195-R197 VanDerWaalsContact C-N 3.3Å; V195-R197 PolarHBondContact O-N 3.31Å
198K87.7Confident76.3Confident139 Ų13982.5 Ų82.560%0.60440%0.403SS*.THydrogen-bonded Turntrans-90.50.8177.8-62.9179.8179.5-179.70112.8V195 R196V195-K198 WeakPolarHBondContact O-CB 3.3Å; V195-K198 PolarHBondContact O-N 3.23Å; R196-K198 PolarHBondContact O-N 2.96Å
199Y85.6Confident74.7Confident32 Ų3278.2 Ų78.213%0.12538%0.38CS..  trans-59.7125.8-176.2-177-108.4000111.7D118 F121 T122 W162 R196 Q201 S204D118-Y199 HydrophobicContact CB-CE2 4.26Å; F121-Y199 HydrophobicContact CD1-CD1 4.17Å; F121-Y199 HydrophobicContact CD1-CD2 4.04Å; F121-Y199 HydrophobicContact CD1-CE2 4.44Å; F121-Y199 AromaticContact CD1-CG 3.89Å; F121-Y199 HydrophobicContact CD1-CG 3.89Å; F121-Y199 AromaticContact CE1-CD1 3.82Å; F121-Y199 HydrophobicContact CE1-CD1 3.82Å; F121-Y199 HydrophobicContact CE1-CD2 4.26Å; F121-Y199 AromaticContact CE1-CG 3.65Å; F121-Y199 HydrophobicContact CE1-CG 3.65Å; T122-Y199 HydrophobicContact CG2-CE1 4.5Å; W162-Y199 AromaticContact CD2-CD2 3.49Å; W162-Y199 HydrophobicContact CD2-CD2 3.49Å; W162-Y199 VanDerWaalsContact CD2-CD2 3.49Å; W162-Y199 HydrophobicContact CD2-CE2 4.21Å; W162-Y199 HydrophobicContact CD2-CG 4.48Å; W162-Y199 AromaticContact CE2-CD2 3.56Å; W162-Y199 AromaticContact CE3-CD2 3.51Å; W162-Y199 HydrophobicContact CE3-CD2 3.51Å; W162-Y199 AromaticContact CE3-CE2 3.75Å; W162-Y199 HydrophobicContact CE3-CE2 3.75Å; W162-Y199 HydrophobicContact CG-CD2 4.18Å; W162-Y199 AromaticContact CH2-CD2 3.71Å; W162-Y199 HydrophobicContact CH2-CD2 3.71Å; W162-Y199 HydrophobicContact CH2-CE2 4.14Å; W162-Y199 AromaticContact CZ2-CD2 3.68Å; W162-Y199 HydrophobicContact CZ2-CD2 3.68Å; W162-Y199 HydrophobicContact CZ2-CG 4.3Å; W162-Y199 AromaticContact CZ3-CD2 3.63Å; W162-Y199 HydrophobicContact CZ3-CD2 3.63Å; W162-Y199 AromaticContact CZ3-CE2 3.73Å; W162-Y199 HydrophobicContact CZ3-CE2 3.73Å; R196-Y199 VanDerWaalsContact O-CB 3.3Å; R196-Y199 WeakPolarHBondContact O-CB 3.39Å; R196-Y199 PolarHBondContact O-N 3.21Å; R196-Y199 VanDerWaalsContact O-N 3.15Å; Y199-Q201 PolarHBondContact O-N 3.33Å; Y199-S204 VanDerWaalsContact OH-CB 3.3Å; Y199-S204 WeakPolarHBondContact OH-CB 3.45Å; Y199-S204 PolarHBondContact OH-OG 2.75Å
200P80.1Confident72.6Confident28 Ų2876.2 Ų76.218%0.18237%0.373CS..  trans-76.390.8-177.929.8-34.3000111.1A158 A159 A202 A203 S204A158-P200 HydrophobicContact CB-CB 3.88Å; A158-P200 HydrophobicContact CB-CG 3.94Å; A159-P200 HydrophobicContact CB-CG 4.34Å; P200-A202 VanDerWaalsContact C-N 3.26Å; P200-A202 PolarHBondContact O-N 3.37Å; P200-A203 HydrophobicContact CB-CB 3.98Å; P200-A203 HydrophobicContact CG-CB 4.05Å; P200-A203 PolarHBondContact O-N 3.04Å; P200-S204 PolarHBondContact O-N 2.97Å
201Q67.1Low70.4Confident162 Ų16274.7 Ų74.776%0.75737%0.374SS*.Hα-helixtrans-56.7-36.5-175.9-158.41641000113.2Y199 A203 S204Y199-Q201 PolarHBondContact O-N 3.33Å; Q201-A203 PolarHBondContact O-N 3.08Å; Q201-S204 WeakPolarHBondContact O-CB 3.36Å; Q201-S204 PolarHBondContact O-N 3.32Å
202A57.8Low67.9Low77 Ų7776.8 Ų76.864%0.63639%0.386SS*.Hα-helixtrans-71.4-22.917700000114.5P200P200-A202 VanDerWaalsContact C-N 3.26Å; P200-A202 PolarHBondContact O-N 3.37Å
203A55.9Low65.4Low19 Ų1978.9 Ų78.916%0.15740%0.399CS..Hα-helixtrans-81.8-27176.600000111.8A159 P200 Q201 E205 R206 L207A159-A203 HydrophobicContact CB-CB 4.01Å; P200-A203 HydrophobicContact CB-CB 3.98Å; P200-A203 HydrophobicContact CG-CB 4.05Å; P200-A203 PolarHBondContact O-N 3.04Å; Q201-A203 PolarHBondContact O-N 3.08Å; A203-E205 VanDerWaalsContact C-N 3.33Å; A203-E205 PolarHBondContact O-N 3.33Å; A203-R206 PolarHBondContact O-N 3.25Å; A203-L207 PolarHBondContact O-N 3.45Å
204S55.3Low62.8Low37 Ų3778.4 Ų78.426%0.25941%0.408SS..Hα-helixtrans-63.4-35.1176.1-171.70000113Y199 P200 Q201 R206 L207Y199-S204 VanDerWaalsContact OH-CB 3.3Å; Y199-S204 WeakPolarHBondContact OH-CB 3.45Å; Y199-S204 PolarHBondContact OH-OG 2.75Å; P200-S204 PolarHBondContact O-N 2.97Å; Q201-S204 WeakPolarHBondContact O-CB 3.36Å; Q201-S204 PolarHBondContact O-N 3.32Å; S204-R206 PolarHBondContact O-N 3.14Å; S204-L207 PolarHBondContact O-N 3.29Å; S204-L207 VanDerWaalsContact O-N 3.14Å
205E49.1Very low60.2Low160 Ų16081.1 Ų81.175%0.74842%0.417SS*.THydrogen-bonded Turntrans-64.2-27.1178.6-67.5-178.5174.500112.3A203A203-E205 VanDerWaalsContact C-N 3.33Å; A203-E205 PolarHBondContact O-N 3.33Å
206R52.2Low57.4Low187 Ų18786.5 Ų86.571%0.70644%0.441SS*.THydrogen-bonded Turntrans-86.8-19176.5-63.3-177.2-178.1169.51.4113.2Y156 A203 S204 T208Y156-R206 HydrophobicContact CE1-CB 4.11Å; A203-R206 PolarHBondContact O-N 3.25Å; S204-R206 PolarHBondContact O-N 3.14Å; R206-T208 PolarHBondContact O-N 3.4Å
207L55.6Low54.6Low11 Ų1192.6 Ų92.66%0.05847%0.472CS..  trans-93.859179.1-70.9169.6000110.9W98 Y156 A159 A203 S204 I209W98-L207 HydrophobicContact CH2-CD1 4.01Å; W98-L207 HydrophobicContact CH2-CD2 4.25Å; W98-L207 HydrophobicContact CZ2-CD1 3.9Å; W98-L207 HydrophobicContact CZ3-CD2 4.42Å; Y156-L207 HydrophobicContact CD1-CD1 4.36Å; Y156-L207 HydrophobicContact CD1-CD2 3.39Å; Y156-L207 HydrophobicContact CD1-CG 3.72Å; Y156-L207 HydrophobicContact CD2-CD2 4.03Å; Y156-L207 HydrophobicContact CE1-CD2 3.49Å; Y156-L207 VanDerWaalsContact CE1-CD2 3.49Å; Y156-L207 HydrophobicContact CE1-CG 3.91Å; Y156-L207 HydrophobicContact CE2-CD2 4.14Å; Y156-L207 HydrophobicContact CG-CD2 3.67Å; Y156-L207 HydrophobicContact CG-CG 4.37Å; A159-L207 HydrophobicContact CB-CD1 3.37Å; A203-L207 PolarHBondContact O-N 3.45Å; S204-L207 PolarHBondContact O-N 3.29Å; S204-L207 VanDerWaalsContact O-N 3.14Å; L207-I209 HydrophobicContact CB-CG1 4.47Å; L207-I209 HydrophobicContact CD2-CD1 3.69Å; L207-I209 HydrophobicContact CD2-CG1 4.17Å; L207-I209 PolarHBondContact O-N 3.38Å
208T53.6Low52Low76 Ų7688.9 Ų88.947%0.46647%0.47SS..  trans-78.943.3170.730.90000112R206 T210R206-T208 PolarHBondContact O-N 3.4Å; T208-T210 PolarHBondContact O-N 3.46Å; T208-T210 VanDerWaalsContact O-N 3.08Å
209I53.9Low49Very low3 Ų388.4 Ų88.42%0.01548%0.483CS..THydrogen-bonded Turntrans-60.6-26.3-173.3-56.4173.9000112.1C92 Y95 W98 F116 L207 V213C92-I209 HydrophobicContact CB-CG2 3.98Å; Y95-I209 HydrophobicContact CD1-CD1 4.08Å; Y95-I209 HydrophobicContact CD1-CG1 3.59Å; Y95-I209 HydrophobicContact CD2-CB 4.3Å; Y95-I209 HydrophobicContact CD2-CG1 4.03Å; Y95-I209 HydrophobicContact CD2-CG2 3.89Å; Y95-I209 HydrophobicContact CE1-CG1 3.65Å; Y95-I209 HydrophobicContact CE2-CB 4.29Å; Y95-I209 HydrophobicContact CE2-CG1 4.1Å; Y95-I209 HydrophobicContact CE2-CG2 4.29Å; Y95-I209 HydrophobicContact CG-CB 4.48Å; Y95-I209 HydrophobicContact CG-CD1 4.28Å; Y95-I209 HydrophobicContact CG-CG1 3.77Å; Y95-I209 HydrophobicContact CG-CG2 4.16Å; W98-I209 HydrophobicContact CG-CD1 4.47Å; F116-I209 HydrophobicContact CD2-CB 4.46Å; F116-I209 HydrophobicContact CD2-CG2 4.04Å; F116-I209 HydrophobicContact CE2-CB 4.28Å; F116-I209 HydrophobicContact CE2-CG2 3.4Å; F116-I209 HydrophobicContact CZ-CG2 4.26Å; L207-I209 HydrophobicContact CB-CG1 4.47Å; L207-I209 HydrophobicContact CD2-CD1 3.69Å; L207-I209 HydrophobicContact CD2-CG1 4.17Å; L207-I209 PolarHBondContact O-N 3.38Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å
210T46Very low46.2Very low35 Ų3594.9 Ų94.922%0.21551%0.514CS..THydrogen-bonded Turntrans-123.3-4.8-173.754.60000116.1F116 Q119 F130 T208 D212 V213F116-T210 HydrophobicContact CD2-CG2 4.39Å; Q119-T210 VanDerWaalsContact CD-OG1 3.3Å; Q119-T210 PolarHBondContact NE2-OG1 2.83Å; Q119-T210 PolarHBondContact OE1-OG1 2.85Å; F130-T210 HydrophobicContact CD1-CG2 3.66Å; F130-T210 HydrophobicContact CE1-CG2 3.69Å; F130-T210 HydrophobicContact CG-CG2 4.4Å; F130-T210 HydrophobicContact CZ-CG2 4.44Å; T208-T210 PolarHBondContact O-N 3.46Å; T208-T210 VanDerWaalsContact O-N 3.08Å; T210-D212 PolarHBondContact O-N 2.99Å; T210-V213 PolarHBondContact O-N 3.05Å
211S45.4Very low43.7Very low102 Ų102102.7 Ų102.771%0.71355%0.548SS*.THydrogen-bonded Turntrans-59-23.7174-157.90000111.4
212D38.5Very low41.9Very low110 Ų110102.8 Ų102.859%0.58855%0.548SS*.THydrogen-bonded Turntrans-108.7-4-169.4-141.830.7000113.6R93 T210R93-D212 VanDerWaalsContact CZ-O 3.27Å; R93-D212 VanDerWaalsContact NH1-CB 3.31Å; R93-D212 PolarHBondContact NH1-O 3.29Å; R93-D212 IonicContact NH1-OD2 2.73Å; R93-D212 PolarHBondContact NH1-OD2 3.44Å; R93-D212 PolarHBondContact NH2-O 3.15Å; T210-D212 PolarHBondContact O-N 2.99Å
213V39.5Very low40.5Very low44 Ų44108.5 Ų108.527%0.26756%0.562SS.*THydrogen-bonded Turntrans-87.9-11.7-175.8178.10000113F130 I209 T210 M215F130-V213 HydrophobicContact CB-CG1 4.06Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; T210-V213 PolarHBondContact O-N 3.05Å; V213-M215 PolarHBondContact O-N 3.02Å
214V34.8Very low39.3Very low115 Ų115115.9 Ų115.970%0.69759%0.593SS**THydrogen-bonded Turntrans-80.3-5.7-179.7-1710000112.7
215M38Very low37.8Very low125 Ų125121.7 Ų121.762%0.61662%0.621SS**SBendtrans-121.4128.7173.1-70.6-69.9-149.500110V213V213-M215 PolarHBondContact O-N 3.02Å
216E32.6Very low36.8Very low127 Ų127119.3 Ų119.359%0.59362%0.622SS**  trans104.597.5166.9-50.6-147.1171.200117.5P218 K239E216-P218 HydrophobicContact CB-CG 4.16Å; E216-K239 VanDerWaalsContact CD-NZ 3.33Å; E216-K239 IonicContact OE1-NZ 3.78Å; E216-K239 PolarHBondContact OE1-NZ 3.46Å; E216-K239 IonicContact OE2-NZ 3.23Å
217E31.1Very low35.8Very low179 Ų179117.4 Ų117.484%0.83663%0.631SS**  -93.3127.2126.6-73.7-162.2157.200107.7
218P32.1Very low34.4Very low98 Ų98120.6 Ų120.664%0.63667%0.667SS**  trans-120.6133154.25.516.9000111.1E216E216-P218 HydrophobicContact CB-CG 4.16Å
219C25.3Very low33.4Very low130 Ų130124.9 Ų124.988%0.87868%0.682SS**  trans-58139.8163.7-76.40000111H221C219-H221 PolarHBondContact O-N 2.87Å
220E26.8Very low32.2Very low167 Ų167132.4 Ų132.478%0.7871%0.714SS**  trans-59.4123.8171.8-64.9172163.100111
221H26.4Very low31.3Very low192 Ų192139.2 Ų139.289%0.88974%0.743SS**  trans-140.9116.5144.3-97.8-54.5000109.2C219C219-H221 PolarHBondContact O-N 2.87Å
222H30.4Very low31Very low164 Ų164144.2 Ų144.276%0.75975%0.752SS**  trans-56.3137.2171.4-65.4-92.9000111.9
223Q28.3Very low30.4Very low197 Ų197145.6 Ų145.692%0.92176%0.759SS**  -164.1130.4122.5-109168.418.800110.6
224E29.9Very low30.2Very low175 Ų175149.7 Ų149.782%0.81879%0.785SS**  trans-71.3143.1171-61.4172.5154.900109.2
225D25.5Very low30.2Very low159 Ų159148.6 Ų148.685%0.8578%0.782SS**  176.8144.2114.3-97.9-28.6000114.7
226S27.6Very low30.1Very low110 Ų110147.9 Ų147.977%0.76978%0.784SS**  trans8798.3145.9-151.10000121.5
227V30.3Very low30.1Very low146 Ų146147 Ų14789%0.88579%0.791SS**  trans-0.9130.6138.5-1760000118.3
228G27.6Very low30.6Very low79 Ų79142.7 Ų142.781%0.81478%0.781SS**  trans-179112.9159.400000112.3
229E30.6Very low31.2Very low166 Ų166143.4 Ų143.478%0.77677%0.774SS**  trans-87.9151.2-171.4-148.9-171.3-169.200113.1
230K29.3Very low32.4Very low161 Ų161148.7 Ų148.770%0.778%0.775SS**  trans81.7105.1160.7-51.5-179.3-176.1172.90118.9
231H27.7Very low33.8Very low178 Ų178145.8 Ų145.882%0.82477%0.765SS**  179.4147.496.9-108.9-95.7000111D233H231-D233 PolarHBondContact O-N 3.3Å
232K38Very low35.3Very low207 Ų207142.1 Ų142.190%0.975%0.751SS**  trans-44.9116.9171.2-79.3171.2169.61750111.6
233D27.3Very low36.8Very low138 Ų138139.1 Ų139.174%0.73875%0.746SS**  trans-144130.3139.7-149.7-8.1000108H231 S235H231-D233 PolarHBondContact O-N 3.3Å; D233-S235 PolarHBondContact O-N 3.41Å
234V35.4Very low38.6Very low131 Ų131131.5 Ų131.579%0.79471%0.712SS**  trans-7370.6171.61770000106T236V234-T236 HydrophobicContact CG1-CG2 4.49Å; V234-T236 PolarHBondContact O-N 3.49Å
235S34.7Very low40.8Very low92 Ų92131.5 Ų131.564%0.64370%0.704SS**  trans-7284.9162.8-710000105.7D233 C237D233-S235 PolarHBondContact O-N 3.41Å; S235-C237 PolarHBondContact O-N 2.91Å
236T34.5Very low43.4Very low109 Ų109127.2 Ų127.267%0.66968%0.684SS**  trans-46.8104.5147.645.40000104.9V234 S238V234-T236 HydrophobicContact CG1-CG2 4.49Å; V234-T236 PolarHBondContact O-N 3.49Å; T236-S238 PolarHBondContact O-N 3.37Å; T236-S238 PolarHBondContact O-OG 3.29Å
237C32.7Very low45.9Very low109 Ų109125.1 Ų125.174%0.73666%0.662SS**  trans-70.368.5172.9-169.90000106.2S235 K239S235-C237 PolarHBondContact O-N 2.91Å; C237-K239 PolarHBondContact O-N 3.25Å
238S41.3Very low48.5Very low88 Ų88120.2 Ų120.262%0.61564%0.636SS**  trans-6385.6156.446.90000103.5T236 R240T236-S238 PolarHBondContact O-N 3.37Å; T236-S238 PolarHBondContact O-OG 3.29Å; S238-R240 VanDerWaalsContact C-N 3.35Å; S238-R240 PolarHBondContact O-N 3.41Å
239K46.4Very low51.2Low113 Ų113119 Ų11949%0.49162%0.619SS.*  trans-42111.5165.1-70.1177.7-1781760103.6E216 C237 L241E216-K239 VanDerWaalsContact CD-NZ 3.33Å; E216-K239 IonicContact OE1-NZ 3.78Å; E216-K239 PolarHBondContact OE1-NZ 3.46Å; E216-K239 IonicContact OE2-NZ 3.23Å; C237-K239 PolarHBondContact O-N 3.25Å; K239-L241 HydrophobicContact CB-CD2 4.29Å; K239-L241 WeakPolarHBondContact O-CG 3.44Å; K239-L241 PolarHBondContact O-N 3.37Å
240R50.3Low53.9Low241 Ų241112.7 Ų112.791%0.90959%0.589SS**  trans-67.581.8-177.8-70.9-177.2-179.8-177.70.7105.7S238 L242S238-R240 VanDerWaalsContact C-N 3.35Å; S238-R240 PolarHBondContact O-N 3.41Å; R240-L242 PolarHBondContact O-N 3.44Å
241L54.8Low56.8Low106 Ų106106 Ų10656%0.55556%0.561SS**PPolyproline II helixtrans-61.5124.2-177.2-69179.8000105.5K239 R376K239-L241 HydrophobicContact CB-CD2 4.29Å; K239-L241 WeakPolarHBondContact O-CG 3.44Å; K239-L241 PolarHBondContact O-N 3.37Å; L241-R376 VanDerWaalsContact CB-NH1 3.34Å
242L59.4Low59.7Low115 Ų115106.5 Ų106.560%0.60256%0.556SS**PPolyproline II helixtrans-49.4144.1178.6-70.8163.7000109.4R240 R376R240-L242 PolarHBondContact O-N 3.44Å; L242-R376 PolarHBondContact O-NH1 2.71Å
243P61.4Low62.1Low101 Ų10199 Ų9966%0.65653%0.532SS*.PPolyproline II helixtrans-50.7147.9179.5-24.431.5000111.3R245P243-R245 WeakPolarHBondContact O-CG 3.37Å; P243-R245 PolarHBondContact O-N 2.63Å
244D65.9Low65.2Low38 Ų3892.5 Ų92.520%0.20350%0.498CS..  trans-58.4105176.9-167.3-20.2000109.9T246 S374D244-T246 VanDerWaalsContact CG-OG1 3.32Å; D244-T246 PolarHBondContact O-N 3Å; D244-T246 VanDerWaalsContact OD1-CB 3.28Å; D244-T246 WeakPolarHBondContact OD1-CB 3.39Å; D244-T246 WeakPolarHBondContact OD1-CG2 3.43Å; D244-T246 PolarHBondContact OD1-N 3.46Å; D244-T246 PolarHBondContact OD1-OG1 3.35Å; D244-T246 PolarHBondContact OD2-OG1 3.23Å; D244-S374 WeakPolarHBondContact OD2-CB 3.49Å; D244-S374 PolarHBondContact OD2-OG 3.28Å
245R76.7Confident67.9Low174 Ų17489.3 Ų89.366%0.65747%0.474SS*.Hα-helixtrans-76.8-14.9-178.4-65.4-176175.7177.4-2.5111.7P243 A249P243-R245 WeakPolarHBondContact O-CG 3.37Å; P243-R245 PolarHBondContact O-N 2.63Å; R245-A249 WeakPolarHBondContact O-CB 3.44Å; R245-A249 PolarHBondContact O-N 3.33Å
246T78.9Confident70.7Confident69 Ų6991.6 Ų91.642%0.42347%0.473SS..Hα-helixtrans-72.6-42.3-175.168.90000111.7D244 A249 H250 R371D244-T246 VanDerWaalsContact CG-OG1 3.32Å; D244-T246 PolarHBondContact O-N 3Å; D244-T246 VanDerWaalsContact OD1-CB 3.28Å; D244-T246 WeakPolarHBondContact OD1-CB 3.39Å; D244-T246 WeakPolarHBondContact OD1-CG2 3.43Å; D244-T246 PolarHBondContact OD1-N 3.46Å; D244-T246 PolarHBondContact OD1-OG1 3.35Å; D244-T246 PolarHBondContact OD2-OG1 3.23Å; T246-A249 PolarHBondContact O-N 3.44Å; T246-H250 WeakPolarHBondContact O-CB 3.47Å; T246-H250 PolarHBondContact O-N 3.03Å; T246-R371 PolarHBondContact OG1-NH2 3.31Å
247H80.8Confident73.5Confident67 Ų6787 Ų8731%0.3144%0.444SS..Hα-helixtrans-62.8-48.1174.3-178.4-97.8000110.9A249 H250 N251 E301 R371H247-A249 VanDerWaalsContact C-N 3.34Å; H247-A249 PolarHBondContact O-N 2.92Å; H247-H250 WeakPolarHBondContact O-CB 3.48Å; H247-H250 PolarHBondContact O-N 2.69Å; H247-H250 VanDerWaalsContact O-N 3.15Å; H247-N251 PolarHBondContact CE1-ND2 2.93Å; H247-N251 PolarHBondContact O-N 3.47Å; H247-E301 IonicContact CD2-OE2 3.44Å; H247-E301 PolarHBondContact CD2-OE2 2.64Å; H247-E301 VanDerWaalsContact CD2-OE2 3.24Å; H247-E301 IonicContact NE2-OE2 3.09Å; H247-E301 PolarHBondContact NE2-OE2 2.81Å; H247-R371 PolarHBondContact CD2-NH1 3.42Å
248A84.3Confident76.4Confident42 Ų4282 Ų8235%0.34741%0.41SS..Hα-helixtrans-62-38.4177.100000113R252A248-R252 VanDerWaalsContact O-CG 3.27Å; A248-R252 WeakPolarHBondContact O-CG 3.47Å; A248-R252 PolarHBondContact O-N 3.07Å; A248-R252 VanDerWaalsContact O-N 3.11Å
249A85.9Confident78.9Confident54 Ų5481.3 Ų81.345%0.44640%0.397SS..Hα-helixtrans-67-38.9175.200000112R245 T246 H247 R252 A253R245-A249 WeakPolarHBondContact O-CB 3.44Å; R245-A249 PolarHBondContact O-N 3.33Å; T246-A249 PolarHBondContact O-N 3.44Å; H247-A249 VanDerWaalsContact C-N 3.34Å; H247-A249 PolarHBondContact O-N 2.92Å; A249-R252 PolarHBondContact O-N 3.27Å; A249-A253 PolarHBondContact O-N 3.21Å
250H86.9Confident81.1Confident34 Ų3477.1 Ų77.116%0.15738%0.379CS..Hα-helixtrans-63.5-46.6175.5-172.5-99.1000111.5T246 H247 R252 A253 N254T246-H250 WeakPolarHBondContact O-CB 3.47Å; T246-H250 PolarHBondContact O-N 3.03Å; H247-H250 WeakPolarHBondContact O-CB 3.48Å; H247-H250 PolarHBondContact O-N 2.69Å; H247-H250 VanDerWaalsContact O-N 3.15Å; H250-R252 VanDerWaalsContact C-N 3.28Å; H250-R252 PolarHBondContact O-N 3.03Å; H250-A253 CarbonylContact O-C 3.6Å; H250-A253 WeakPolarHBondContact O-CA 3.45Å; H250-A253 WeakPolarHBondContact O-CB 3.49Å; H250-A253 PolarHBondContact O-N 2.93Å; H250-N254 PolarHBondContact CE1-ND2 2.63Å; H250-N254 PolarHBondContact ND1-ND2 3.29Å; H250-N254 PolarHBondContact O-N 2.9Å
251N88.5Confident83.1Confident21 Ų2165.7 Ų65.711%0.11234%0.336CS..Hα-helixtrans-61.5-37.7177-68.42.9000111.6H247 A253 N254 E255 Q305H247-N251 PolarHBondContact CE1-ND2 2.93Å; H247-N251 PolarHBondContact O-N 3.47Å; N251-A253 VanDerWaalsContact C-N 3.33Å; N251-A253 PolarHBondContact O-N 3.03Å; N251-N254 PolarHBondContact O-N 3.43Å; N251-E255 PolarHBondContact O-N 3.49Å; N251-Q305 PolarHBondContact O-NE2 2.93Å
252R88.9Confident84.9Confident187 Ų18762.5 Ų62.571%0.70632%0.321SS*.Hα-helixtrans-64-35.6172.5-71.3171.5-173.4176.32113.1A248 A249 H250A248-R252 VanDerWaalsContact O-CG 3.27Å; A248-R252 WeakPolarHBondContact O-CG 3.47Å; A248-R252 PolarHBondContact O-N 3.07Å; A248-R252 VanDerWaalsContact O-N 3.11Å; A249-R252 PolarHBondContact O-N 3.27Å; H250-R252 VanDerWaalsContact C-N 3.28Å; H250-R252 PolarHBondContact O-N 3.03Å
253A89.6Confident86.4Confident49 Ų4964.2 Ų64.241%0.40532%0.323SS..Hα-helixtrans-70-43.5174.900000111.2A249 H250 N251 E255 K256A249-A253 PolarHBondContact O-N 3.21Å; H250-A253 CarbonylContact O-C 3.6Å; H250-A253 WeakPolarHBondContact O-CA 3.45Å; H250-A253 WeakPolarHBondContact O-CB 3.49Å; H250-A253 PolarHBondContact O-N 2.93Å; N251-A253 VanDerWaalsContact C-N 3.33Å; N251-A253 PolarHBondContact O-N 3.03Å; A253-E255 PolarHBondContact O-N 3.41Å; A253-K256 VanDerWaalsContact O-CB 3.29Å; A253-K256 WeakPolarHBondContact O-CB 3.49Å; A253-K256 PolarHBondContact O-N 3.38Å
254N92.3Very high87.7Confident3 Ų364 Ų642%0.01631%0.313CS..Hα-helixtrans-60.4-33.4175.2-78.5-6.7000112.4H250 N251 K256 L257 V258 Y299 L300 Q305H250-N254 PolarHBondContact CE1-ND2 2.63Å; H250-N254 PolarHBondContact ND1-ND2 3.29Å; H250-N254 PolarHBondContact O-N 2.9Å; N251-N254 PolarHBondContact O-N 3.43Å; N254-K256 PolarHBondContact O-N 3.28Å; N254-K256 VanDerWaalsContact O-N 3.17Å; N254-L257 WeakPolarHBondContact O-CA 3.39Å; N254-L257 WeakPolarHBondContact O-CB 3.25Å; N254-L257 PolarHBondContact O-N 2.95Å; N254-V258 WeakPolarHBondContact O-CG2 3.49Å; N254-V258 PolarHBondContact O-N 3.05Å; N254-Y299 PolarHBondContact ND2-O 3.47Å; N254-L300 HydrophobicContact CB-CD2 3.87Å; N254-Q305 VanDerWaalsContact CB-OE1 3.27Å
255E92.3Very high88.9Confident64 Ų6467.4 Ų67.430%0.29932%0.323SS..Hα-helixtrans-58.5-31.5175.3-165.264.1-156.400111.8N251 A253 V258 H259 Q305 R308N251-E255 PolarHBondContact O-N 3.49Å; A253-E255 PolarHBondContact O-N 3.41Å; E255-V258 PolarHBondContact O-N 3.02Å; E255-H259 VanDerWaalsContact O-CB 3.26Å; E255-H259 WeakPolarHBondContact O-CB 2.73Å; E255-H259 PolarHBondContact O-N 3.27Å; E255-Q305 WeakPolarHBondContact OE2-CG 3.49Å; E255-Q305 PolarHBondContact OE2-NE2 2.87Å; E255-R308 IonicContact OE1-NH1 2.63Å; E255-R308 PolarHBondContact OE1-NH1 2.84Å; E255-R308 VanDerWaalsContact OE1-NH1 3.09Å
256K92.6Very high89.3Confident140 Ų14064.9 Ų64.961%0.60932%0.321SS*.Hα-helixtrans-67.2-38.8174-58.9-179179.1179.10111.6A253 N254 H259 F260 V355A253-K256 VanDerWaalsContact O-CB 3.29Å; A253-K256 WeakPolarHBondContact O-CB 3.49Å; A253-K256 PolarHBondContact O-N 3.38Å; N254-K256 PolarHBondContact O-N 3.28Å; N254-K256 VanDerWaalsContact O-N 3.17Å; K256-H259 PolarHBondContact O-N 3.14Å; K256-F260 WeakPolarHBondContact O-CB 3.25Å; K256-F260 PolarHBondContact O-N 3.32Å; K256-V355 HydrophobicContact CB-CG1 4.44Å
257L93.1Very high89.9Confident11 Ų1161.7 Ų61.76%0.05830%0.301CS..Hα-helixtrans-65.9-46.5175.1-55.6178.7000110.4N254 H259 F260 I261 Y299 A351 I352 V355N254-L257 WeakPolarHBondContact O-CA 3.39Å; N254-L257 WeakPolarHBondContact O-CB 3.25Å; N254-L257 PolarHBondContact O-N 2.95Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 2.86Å; L257-F260 WeakPolarHBondContact O-CB 3.37Å; L257-F260 PolarHBondContact O-N 2.85Å; L257-F260 VanDerWaalsContact O-N 3.16Å; L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3.31Å; L257-Y299 HydrophobicContact CD1-CE1 3.78Å; L257-A351 HydrophobicContact CB-CB 4.27Å; L257-A351 HydrophobicContact CD2-CB 4.17Å; L257-I352 HydrophobicContact CD1-CG1 3.94Å; L257-I352 HydrophobicContact CD2-CG1 4.03Å; L257-V355 HydrophobicContact CD2-CB 3.97Å; L257-V355 HydrophobicContact CD2-CG1 4.32Å; L257-V355 HydrophobicContact CD2-CG2 3.98Å
258V93.2Very high90.4Very high5 Ų560.9 Ų60.93%0.0330%0.297CS..Hα-helixtrans-58.3-44.7175.81770000110.6N254 E255 F260 I261 V262 Q305 R308 V309N254-V258 WeakPolarHBondContact O-CG2 3.49Å; N254-V258 PolarHBondContact O-N 3.05Å; E255-V258 PolarHBondContact O-N 3.02Å; V258-F260 VanDerWaalsContact C-N 3.35Å; V258-F260 PolarHBondContact O-N 3.45Å; V258-I261 PolarHBondContact O-N 2.92Å; V258-V262 HydrophobicContact CG1-CG2 4.19Å; V258-V262 WeakPolarHBondContact O-CB 3.38Å; V258-V262 PolarHBondContact O-N 3.41Å; V258-Q305 HydrophobicContact CG2-CB 3.91Å; V258-Q305 HydrophobicContact CG2-CG 4.16Å; V258-R308 HydrophobicContact CG1-CB 4.38Å; V258-V309 HydrophobicContact CB-CG2 4.31Å; V258-V309 HydrophobicContact CG1-CG2 4.04Å; V258-V309 HydrophobicContact CG2-CG2 3.89Å
259H93.9Very high90.7Very high73 Ų7367.6 Ų67.634%0.33832%0.318SS..Iπ-helixtrans-59.9-44.5176.1-175.4-79.7000112.2E255 K256 L257 I261 K263 Q264E255-H259 VanDerWaalsContact O-CB 3.26Å; E255-H259 WeakPolarHBondContact O-CB 2.73Å; E255-H259 PolarHBondContact O-N 3.27Å; K256-H259 PolarHBondContact O-N 3.14Å; L257-H259 VanDerWaalsContact C-N 3.3Å; L257-H259 PolarHBondContact O-N 2.86Å; H259-I261 VanDerWaalsContact C-N 3.35Å; H259-K263 VanDerWaalsContact CD2-CD 3.5Å; H259-K263 WeakPolarHBondContact CD2-CD 3.37Å; H259-K263 WeakPolarHBondContact O-CA 3.27Å; H259-K263 WeakPolarHBondContact O-CB 3.45Å; H259-K263 PolarHBondContact O-N 3.07Å; H259-Q264 PolarHBondContact CE1-NE2 3.06Å; H259-Q264 PolarHBondContact ND1-NE2 3.18Å; H259-Q264 PolarHBondContact O-N 2.88Å
260F93.6Very high90.9Very high25 Ų2566.6 Ų66.611%0.1130%0.303CS..Iπ-helixtrans-63.3-40177.9-169.7-91.4000112.2K256 L257 V258 R265 M266 V267 A351 V355K256-F260 WeakPolarHBondContact O-CB 3.25Å; K256-F260 PolarHBondContact O-N 3.32Å; L257-F260 WeakPolarHBondContact O-CB 3.37Å; L257-F260 PolarHBondContact O-N 2.85Å; L257-F260 VanDerWaalsContact O-N 3.16Å; V258-F260 VanDerWaalsContact C-N 3.35Å; V258-F260 PolarHBondContact O-N 3.45Å; F260-R265 PolarHBondContact O-N 3.4Å; F260-M266 HydrophobicContact CD1-CB 3.95Å; F260-M266 HydrophobicContact CD2-CB 4.48Å; F260-M266 HydrophobicContact CD2-CG 4.31Å; F260-M266 HydrophobicContact CE1-CB 3.36Å; F260-M266 HydrophobicContact CE1-CG 4.17Å; F260-M266 HydrophobicContact CE2-CB 3.94Å; F260-M266 HydrophobicContact CE2-CG 3.83Å; F260-M266 HydrophobicContact CG-CB 4.48Å; F260-M266 HydrophobicContact CZ-CB 3.34Å; F260-M266 HydrophobicContact CZ-CG 3.75Å; F260-M266 PolarHBondContact O-N 3.4Å; F260-V267 HydrophobicContact CD1-CG1 4.28Å; F260-V267 HydrophobicContact CE1-CG1 4.1Å; F260-A351 HydrophobicContact CD1-CB 3.91Å; F260-V355 HydrophobicContact CB-CG2 3.77Å; F260-V355 HydrophobicContact CD1-CG2 4.49Å; F260-V355 HydrophobicContact CD2-CG2 3.74Å; F260-V355 HydrophobicContact CE2-CG2 4.46Å; F260-V355 HydrophobicContact CG-CG2 3.77Å
261I93Very high91.1Very high2 Ų265 Ų651%0.0130%0.296CS..Iπ-helixtrans-72.2-56179.4-65.7166000111.1L257 V258 H259 R265 V267 V309 Y312 A347 I348 A351L257-I261 VanDerWaalsContact O-CG1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.48Å; L257-I261 PolarHBondContact O-N 3.31Å; V258-I261 PolarHBondContact O-N 2.92Å; H259-I261 VanDerWaalsContact C-N 3.35Å; I261-R265 VanDerWaalsContact O-CA 3.32Å; I261-R265 WeakPolarHBondContact O-CA 3.49Å; I261-R265 PolarHBondContact O-N 2.86Å; I261-V267 HydrophobicContact CB-CG2 4.24Å; I261-V267 HydrophobicContact CG1-CG2 4.14Å; I261-V267 HydrophobicContact CG2-CG2 3.93Å; I261-V309 HydrophobicContact CG2-CG1 4.28Å; I261-Y312 HydrophobicContact CG2-CD1 3.72Å; I261-Y312 HydrophobicContact CG2-CE1 3.78Å; I261-Y312 WeakPolarHBondContact O-CE1 3.34Å; I261-A347 HydrophobicContact CD1-CB 4.19Å; I261-A347 HydrophobicContact CG2-CB 4.39Å; I261-I348 HydrophobicContact CD1-CG1 4.44Å; I261-A351 HydrophobicContact CD1-CB 3.73Å; I261-A351 HydrophobicContact CG1-CB 3.55Å
262V92.8Very high91.2Very high39 Ų3965.7 Ų65.724%0.23630%0.299CS..Iπ-helixtrans-87.3-46.1-166.4-179.30000112.2V258 R265 V309 Y312V258-V262 HydrophobicContact CG1-CG2 4.19Å; V258-V262 WeakPolarHBondContact O-CB 3.38Å; V258-V262 PolarHBondContact O-N 3.41Å; V262-R265 WeakPolarHBondContact O-CG 3.36Å; V262-V309 HydrophobicContact CG2-CG2 4.21Å; V262-Y312 HydrophobicContact CG1-CG 4.41Å; V262-Y312 HydrophobicContact CG2-CD1 4.32Å; V262-Y312 HydrophobicContact CG2-CG 4.19Å
263K89.6Confident91.1Very high151 Ų15157.6 Ų57.666%0.65727%0.272SS*.Iπ-helixtrans-85.6-47.3-174.9-58-159.6-162.5173.10112H259H259-K263 VanDerWaalsContact CD2-CD 3.5Å; H259-K263 WeakPolarHBondContact CD2-CD 3.37Å; H259-K263 WeakPolarHBondContact O-CA 3.27Å; H259-K263 WeakPolarHBondContact O-CB 3.45Å; H259-K263 PolarHBondContact O-N 3.07Å
264Q89Confident91Very high96 Ų9655.3 Ų55.345%0.44925%0.253SS..SBendtrans-83.3-18.1-179.1-60.1178.7-6.500112.8H259 M266H259-Q264 PolarHBondContact CE1-NE2 3.06Å; H259-Q264 PolarHBondContact ND1-NE2 3.18Å; H259-Q264 PolarHBondContact O-N 2.88Å; Q264-M266 HydrophobicContact CB-CG 3.7Å; Q264-M266 PolarHBondContact O-N 2.87Å
265R90.8Very high90.7Very high109 Ų10955.2 Ų55.241%0.41125%0.253SS..  trans54.326.6175.7-61.4-179166-145.89.2113.9F260 I261 V262 V267 E268 Y312F260-R265 PolarHBondContact O-N 3.4Å; I261-R265 VanDerWaalsContact O-CA 3.32Å; I261-R265 WeakPolarHBondContact O-CA 3.49Å; I261-R265 PolarHBondContact O-N 2.86Å; V262-R265 WeakPolarHBondContact O-CG 3.36Å; R265-V267 PolarHBondContact O-N 2.98Å; R265-E268 HydrophobicContact CB-CB 4.31Å; R265-E268 VanDerWaalsContact CD-OE2 3.3Å; R265-E268 WeakPolarHBondContact CD-OE2 3.44Å; R265-E268 IonicContact NE-OE2 3.43Å; R265-E268 IonicContact NH1-OE2 4Å; R265-E268 PolarHBondContact NH1-OE2 2.83Å; R265-E268 WeakPolarHBondContact O-CB 3.33Å; R265-E268 PolarHBondContact O-N 2.84Å; R265-Y312 HydrophobicContact CG-CE2 3.96Å
266M86.4Confident90.2Very high122 Ų12256.6 Ų56.660%0.60126%0.255SS*.THydrogen-bonded Turntrans-68.5-22.2-173.1-68-63.2-72.900112.6F260 Q264F260-M266 HydrophobicContact CD1-CB 3.95Å; F260-M266 HydrophobicContact CD2-CB 4.48Å; F260-M266 HydrophobicContact CD2-CG 4.31Å; F260-M266 HydrophobicContact CE1-CB 3.36Å; F260-M266 HydrophobicContact CE1-CG 4.17Å; F260-M266 HydrophobicContact CE2-CB 3.94Å; F260-M266 HydrophobicContact CE2-CG 3.83Å; F260-M266 HydrophobicContact CG-CB 4.48Å; F260-M266 HydrophobicContact CZ-CB 3.34Å; F260-M266 HydrophobicContact CZ-CG 3.75Å; F260-M266 PolarHBondContact O-N 3.4Å; Q264-M266 HydrophobicContact CB-CG 3.7Å; Q264-M266 PolarHBondContact O-N 2.87Å
267V91.1Very high89.4Confident2 Ų251.3 Ų51.31%0.01224%0.241CC..THydrogen-bonded Turntrans-89.1-8.6177.3-61.30000113.3F260 I261 R265 K269 R270 L271 A347F260-V267 HydrophobicContact CD1-CG1 4.28Å; F260-V267 HydrophobicContact CE1-CG1 4.1Å; I261-V267 HydrophobicContact CB-CG2 4.24Å; I261-V267 HydrophobicContact CG1-CG2 4.14Å; I261-V267 HydrophobicContact CG2-CG2 3.93Å; R265-V267 PolarHBondContact O-N 2.98Å; V267-K269 PolarHBondContact O-N 2.8Å; V267-R270 PolarHBondContact O-N 3.33Å; V267-R270 VanDerWaalsContact O-N 3.17Å; V267-L271 HydrophobicContact CB-CD1 4.21Å; V267-L271 HydrophobicContact CB-CG 4.44Å; V267-L271 HydrophobicContact CG2-CD1 3.73Å; V267-L271 HydrophobicContact CG2-CG 4.48Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 2.88Å; V267-A347 HydrophobicContact CG2-CB 4.43Å
268E91.8Very high88.8Confident49 Ų4957.6 Ų57.623%0.22927%0.27CS..Hα-helixtrans-58.4-46.1-172.3-172164.4150.400112.5R265 R270 L271 L272 Y312 L316R265-E268 HydrophobicContact CB-CB 4.31Å; R265-E268 VanDerWaalsContact CD-OE2 3.3Å; R265-E268 WeakPolarHBondContact CD-OE2 3.44Å; R265-E268 IonicContact NE-OE2 3.43Å; R265-E268 IonicContact NH1-OE2 4Å; R265-E268 PolarHBondContact NH1-OE2 2.83Å; R265-E268 WeakPolarHBondContact O-CB 3.33Å; R265-E268 PolarHBondContact O-N 2.84Å; E268-R270 VanDerWaalsContact C-N 3.32Å; E268-R270 PolarHBondContact O-N 3.05Å; E268-L271 PolarHBondContact O-N 3.43Å; E268-L272 HydrophobicContact CG-CD1 3.94Å; E268-L272 HydrophobicContact CG-CG 4.3Å; E268-L272 WeakPolarHBondContact O-CB 3.26Å; E268-L272 VanDerWaalsContact O-CG 3.26Å; E268-L272 WeakPolarHBondContact O-CG 3.43Å; E268-L272 PolarHBondContact O-N 3.16Å; E268-Y312 WeakPolarHBondContact CB-OH 3.49Å; E268-Y312 PolarHBondContact OE2-OH 3.22Å; E268-Y312 VanDerWaalsContact OE2-OH 3.05Å; E268-L316 HydrophobicContact CG-CD1 4.23Å; E268-L316 HydrophobicContact CG-CD2 3.68Å
269K90Very high88.3Confident183 Ų18361.2 Ų61.280%0.79629%0.287SS*.Hα-helixtrans-59.2-42.8179.6-175.3179.6178.9-178.70111.9V267 A273V267-K269 PolarHBondContact O-N 2.8Å; K269-A273 PolarHBondContact O-N 3.46Å; K269-A273 VanDerWaalsContact O-N 3.15Å
270R89.7Confident87.6Confident33 Ų3366.2 Ų66.213%0.12531%0.31CS..Hα-helixtrans-66.8-48.5178.4176.755.5158.1131.8-9.7110.7V267 E268 L272 A273 V274 Q279 E280 E346 Y350V267-R270 PolarHBondContact O-N 3.33Å; V267-R270 VanDerWaalsContact O-N 3.17Å; E268-R270 VanDerWaalsContact C-N 3.32Å; E268-R270 PolarHBondContact O-N 3.05Å; R270-L272 PolarHBondContact O-N 2.95Å; R270-A273 WeakPolarHBondContact O-CB 3.38Å; R270-A273 PolarHBondContact O-N 3.35Å; R270-A273 VanDerWaalsContact O-N 3.16Å; R270-V274 VanDerWaalsContact NH1-CG2 3.27Å; R270-V274 WeakPolarHBondContact O-CG2 3.36Å; R270-V274 PolarHBondContact O-N 3.01Å; R270-Q279 VanDerWaalsContact CD-CD 3.44Å; R270-Q279 VanDerWaalsContact NH1-CB 3.26Å; R270-Q279 VanDerWaalsContact NH1-OE1 3.13Å; R270-E280 PolarHBondContact NH1-O 3.4Å; R270-E280 VanDerWaalsContact NH1-O 3.12Å; R270-E280 PolarHBondContact NH2-O 3.43Å; R270-E346 IonicContact CZ-OE1 3.46Å; R270-E346 IonicContact NE-OE1 3.52Å; R270-E346 IonicContact NH1-OE1 3.24Å; R270-E346 IonicContact NH2-OE1 3.92Å; R270-E346 PolarHBondContact NH2-OE1 3.06Å; R270-Y350 HydrophobicContact CB-CD1 4.45Å; R270-Y350 HydrophobicContact CG-CD1 3.97Å; R270-Y350 HydrophobicContact CG-CD2 4.02Å; R270-Y350 HydrophobicContact CG-CE1 3.84Å; R270-Y350 HydrophobicContact CG-CE2 3.91Å; R270-Y350 HydrophobicContact CG-CG 4.08Å; R270-Y350 VanDerWaalsContact CZ-OH 3.27Å; R270-Y350 PolarHBondContact NE-OH 3.49Å; R270-Y350 PolarHBondContact NH2-OH 2.91Å
271L91.3Very high87.2Confident2 Ų265.5 Ų65.51%0.0131%0.308CS..Hα-helixtrans-61.4-42.6-180-66.7172.4000111.8V267 E268 A273 V274 I275 L313 L316 L343 E346 A347V267-L271 HydrophobicContact CB-CD1 4.21Å; V267-L271 HydrophobicContact CB-CG 4.44Å; V267-L271 HydrophobicContact CG2-CD1 3.73Å; V267-L271 HydrophobicContact CG2-CG 4.48Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 2.88Å; E268-L271 PolarHBondContact O-N 3.43Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 3.42Å; L271-V274 PolarHBondContact O-N 3.01Å; L271-I275 VanDerWaalsContact O-CG1 3.27Å; L271-I275 WeakPolarHBondContact O-CG1 3.39Å; L271-I275 PolarHBondContact O-N 3.08Å; L271-L313 HydrophobicContact CD1-CD2 3.46Å; L271-L313 VanDerWaalsContact CD1-CD2 3.46Å; L271-L316 HydrophobicContact CD1-CD1 3.98Å; L271-L343 HydrophobicContact CD2-CD2 4.21Å; L271-E346 HydrophobicContact CD2-CB 4.02Å; L271-E346 HydrophobicContact CD2-CG 4.22Å; L271-A347 HydrophobicContact CD1-CB 4.07Å; L271-A347 HydrophobicContact CD2-CB 4.2Å
272L89.6Confident86.9Confident34 Ų3471.4 Ų71.418%0.17833%0.33CS..Hα-helixtrans-62.5-38.6175.1-70.8174.8000112.3E268 R270 V274 I275 R276 A320E268-L272 HydrophobicContact CG-CD1 3.94Å; E268-L272 HydrophobicContact CG-CG 4.3Å; E268-L272 WeakPolarHBondContact O-CB 3.26Å; E268-L272 VanDerWaalsContact O-CG 3.26Å; E268-L272 WeakPolarHBondContact O-CG 3.43Å; E268-L272 PolarHBondContact O-N 3.16Å; R270-L272 PolarHBondContact O-N 2.95Å; L272-V274 VanDerWaalsContact C-N 3.34Å; L272-I275 PolarHBondContact O-N 3.49Å; L272-R276 WeakPolarHBondContact O-CB 3.41Å; L272-R276 VanDerWaalsContact O-CG 3.25Å; L272-R276 WeakPolarHBondContact O-CG 3.49Å; L272-R276 PolarHBondContact O-N 3.04Å; L272-A320 HydrophobicContact CD2-CB 3.65Å
273A88.3Confident86.6Confident17 Ų1771 Ų7114%0.1433%0.325CS..Hα-helixtrans-66.5-36.1175.900000112.2K269 R270 L271 G277 Q278 Q279K269-A273 PolarHBondContact O-N 3.46Å; K269-A273 VanDerWaalsContact O-N 3.15Å; R270-A273 WeakPolarHBondContact O-CB 3.38Å; R270-A273 PolarHBondContact O-N 3.35Å; R270-A273 VanDerWaalsContact O-N 3.16Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 3.42Å; A273-G277 PolarHBondContact O-N 3.36Å; A273-Q278 HydrophobicContact CB-CB 4.5Å; A273-Q278 PolarHBondContact O-N 2.68Å; A273-Q279 HydrophobicContact CB-CB 3.98Å; A273-Q279 PolarHBondContact O-N 3.23Å
274V87.1Confident86.4Confident1 Ų165.3 Ų65.31%0.00630%0.301CS..Hα-helixtrans-66.9-46.4173.2173.90000110.8R270 L271 L272 R276 G277 L284 V342 E346R270-V274 VanDerWaalsContact NH1-CG2 3.27Å; R270-V274 WeakPolarHBondContact O-CG2 3.36Å; R270-V274 PolarHBondContact O-N 3.01Å; L271-V274 PolarHBondContact O-N 3.01Å; L272-V274 VanDerWaalsContact C-N 3.34Å; V274-R276 VanDerWaalsContact C-N 3.29Å; V274-R276 PolarHBondContact O-N 3.43Å; V274-G277 PolarHBondContact O-N 2.92Å; V274-L284 HydrophobicContact CG1-CD2 4.25Å; V274-V342 HydrophobicContact CG1-CG1 4.27Å; V274-E346 HydrophobicContact CG2-CG 4.35Å
275I84.8Confident86.3Confident1 Ų170.5 Ų70.51%0.00532%0.317CS..Hα-helixtrans-60.4-40.3176.7-64.4162.1000110.7L271 L272 G277 A320 L327 F338 L343L271-I275 VanDerWaalsContact O-CG1 3.27Å; L271-I275 WeakPolarHBondContact O-CG1 3.39Å; L271-I275 PolarHBondContact O-N 3.08Å; L272-I275 PolarHBondContact O-N 3.49Å; I275-G277 PolarHBondContact O-N 3.25Å; I275-A320 HydrophobicContact CB-CB 4.33Å; I275-A320 HydrophobicContact CD1-CB 4.01Å; I275-A320 HydrophobicContact CG2-CB 3.72Å; I275-L327 HydrophobicContact CG2-CD1 4.28Å; I275-L327 WeakPolarHBondContact O-CD1 3.4Å; I275-F338 HydrophobicContact CG1-CE1 4.21Å; I275-L343 HydrophobicContact CD1-CD1 4.17Å; I275-L343 HydrophobicContact CD1-CD2 4.12Å; I275-L343 HydrophobicContact CG1-CD1 4.41Å; I275-L343 HydrophobicContact CG1-CD2 3.77Å
276R82.4Confident85.9Confident93 Ų9368.1 Ų68.135%0.35132%0.316SS..THydrogen-bonded Turntrans-74.4-4.7177.8-67.5171.3-172179.23.7113.7L272 V274 Q278L272-R276 WeakPolarHBondContact O-CB 3.41Å; L272-R276 VanDerWaalsContact O-CG 3.25Å; L272-R276 WeakPolarHBondContact O-CG 3.49Å; L272-R276 PolarHBondContact O-N 3.04Å; V274-R276 VanDerWaalsContact C-N 3.29Å; V274-R276 PolarHBondContact O-N 3.43Å; R276-Q278 HydrophobicContact CB-CG 3.95Å; R276-Q278 PolarHBondContact O-N 2.97Å
277G76Confident85.7Confident30 Ų3063.2 Ų63.231%0.30929%0.292SS..THydrogen-bonded Turntrans63.427.4-174.200000113.1A273 V274 I275 R326A273-G277 PolarHBondContact O-N 3.36Å; V274-G277 PolarHBondContact O-N 2.92Å; I275-G277 PolarHBondContact O-N 3.25Å; G277-R326 PolarHBondContact O-NH1 3.48Å
278Q81.3Confident85.2Confident142 Ų14268.5 Ų68.566%0.66432%0.32SS*.  trans-88.5-21.2176.7-70.8-179.2-29.600112.1A273 R276A273-Q278 HydrophobicContact CB-CB 4.5Å; A273-Q278 PolarHBondContact O-N 2.68Å; R276-Q278 HydrophobicContact CB-CG 3.95Å; R276-Q278 PolarHBondContact O-N 2.97Å
279Q82.9Confident84.6Confident82 Ų8268.5 Ų68.538%0.38333%0.325SS..SBendtrans-130.4138.4-177.2-154.3176.9-2.800111.1R270 A273R270-Q279 VanDerWaalsContact CD-CD 3.44Å; R270-Q279 VanDerWaalsContact NH1-CB 3.26Å; R270-Q279 VanDerWaalsContact NH1-OE1 3.13Å; A273-Q279 HydrophobicContact CB-CB 3.98Å; A273-Q279 PolarHBondContact O-N 3.23Å
280E79.2Confident83.5Confident177 Ų17765.1 Ų65.183%0.82733%0.331SS*.  trans-70135.2180-60-171.6168.400110.7R270R270-E280 PolarHBondContact NH1-O 3.4Å; R270-E280 VanDerWaalsContact NH1-O 3.12Å; R270-E280 PolarHBondContact NH2-O 3.43Å
281S85.1Confident82.3Confident10 Ų1072.1 Ų72.17%0.0736%0.362CS..  trans-133.8130.4171.7165.90000108W283 L284 R285 E346S281-W283 PolarHBondContact O-N 3.2Å; S281-W283 PolarHBondContact OG-N 3.36Å; S281-L284 PolarHBondContact O-N 3.47Å; S281-L284 PolarHBondContact OG-N 3.48Å; S281-R285 PolarHBondContact O-N 3.1Å; S281-E346 WeakPolarHBondContact CB-OE2 3.49Å; S281-E346 PolarHBondContact OG-OE2 3.1Å
282R86Confident81.1Confident126 Ų12676.3 Ų76.348%0.47538%0.378SS..Hα-helixtrans-60.6-33.4174.670.5175.1-76.7179.3-2.1111.7R285 S286 E364R282-R285 PolarHBondContact O-N 3.1Å; R282-S286 VanDerWaalsContact O-CB 3.31Å; R282-S286 WeakPolarHBondContact O-CB 3.34Å; R282-S286 PolarHBondContact O-N 2.91Å; R282-E364 WeakPolarHBondContact CD-OE1 2.85Å; R282-E364 IonicContact CZ-OE1 2.84Å; R282-E364 IonicContact NE-OE1 3.36Å; R282-E364 PolarHBondContact NE-OE1 3.17Å; R282-E364 IonicContact NH1-OE1 3.07Å; R282-E364 PolarHBondContact NH1-OE1 3.36Å
283W87.3Confident79.7Confident32 Ų3284.7 Ų84.712%0.12141%0.407CS..Hα-helixtrans-73.2-42.3-176.4-55106.9000109.7S281 S286 F287 V342 P345 E346 I349 Y367 L368S281-W283 PolarHBondContact O-N 3.2Å; S281-W283 PolarHBondContact OG-N 3.36Å; W283-S286 PolarHBondContact O-N 3.38Å; W283-F287 VanDerWaalsContact O-CB 3.24Å; W283-F287 WeakPolarHBondContact O-CB 3.09Å; W283-F287 PolarHBondContact O-N 3.3Å; W283-V342 HydrophobicContact CB-CG1 4.32Å; W283-P345 HydrophobicContact CB-CG 4.3Å; W283-P345 HydrophobicContact CD2-CB 3.81Å; W283-P345 HydrophobicContact CD2-CG 3.87Å; W283-P345 HydrophobicContact CE3-CB 4.26Å; W283-P345 HydrophobicContact CE3-CG 4.19Å; W283-P345 HydrophobicContact CG-CB 4.12Å; W283-P345 HydrophobicContact CG-CG 3.89Å; W283-P345 HydrophobicContact CZ2-CB 4.12Å; W283-E346 VanDerWaalsContact CD1-OE2 3.27Å; W283-I349 HydrophobicContact CZ2-CD1 3.88Å; W283-Y367 HydrophobicContact CH2-CD1 4.16Å; W283-Y367 AromaticContact CH2-CE1 3.71Å; W283-Y367 HydrophobicContact CH2-CE1 3.71Å; W283-Y367 AromaticContact CZ2-CD1 3.88Å; W283-Y367 HydrophobicContact CZ2-CD1 3.88Å; W283-Y367 AromaticContact CZ2-CE1 3.72Å; W283-Y367 HydrophobicContact CZ2-CE1 3.72Å; W283-L368 HydrophobicContact CH2-CD2 3.96Å
284L85.4Confident78.3Confident30 Ų3093 Ų9316%0.15744%0.435CS..Hα-helixtrans-61.3-45.4172-177.660.5000111.9V274 S281 S286 F287 L288 F338 V342V274-L284 HydrophobicContact CG1-CD2 4.25Å; S281-L284 PolarHBondContact O-N 3.47Å; S281-L284 PolarHBondContact OG-N 3.48Å; L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.62Å; L284-F287 WeakPolarHBondContact O-CB 3.25Å; L284-F287 PolarHBondContact O-N 3.13Å; L284-L288 HydrophobicContact CD1-CD1 4.15Å; L284-L288 HydrophobicContact CD1-CG 4.33Å; L284-L288 HydrophobicContact CG-CD1 4.18Å; L284-L288 WeakPolarHBondContact O-CG 3.27Å; L284-L288 PolarHBondContact O-N 3.37Å; L284-F338 HydrophobicContact CD1-CE2 3.81Å; L284-F338 HydrophobicContact CD1-CZ 4.5Å; L284-V342 HydrophobicContact CB-CG1 3.95Å; L284-V342 HydrophobicContact CD1-CG1 4.4Å
285R85.1Confident76.7Confident206 Ų20697.7 Ų97.778%0.77746%0.463SS*.Hα-helixtrans-62.4-40.4177.1-176175.8173.6160.7-1.3112.1S281 R282 S289S281-R285 PolarHBondContact O-N 3.1Å; R282-R285 PolarHBondContact O-N 3.1Å; R285-S289 PolarHBondContact O-N 2.89Å
286S83.8Confident75.3Confident58 Ų58102.8 Ų102.841%0.40649%0.494SS..Hα-helixtrans-66.7-41.2175.8-170.70000111.7R282 W283 L284 L288 S289R282-S286 VanDerWaalsContact O-CB 3.31Å; R282-S286 WeakPolarHBondContact O-CB 3.34Å; R282-S286 PolarHBondContact O-N 2.91Å; W283-S286 PolarHBondContact O-N 3.38Å; L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.62Å; S286-L288 VanDerWaalsContact C-N 3.34Å; S286-L288 PolarHBondContact O-N 3.2Å; S286-S289 WeakPolarHBondContact O-CB 3.49Å; S286-S289 PolarHBondContact O-N 2.92Å; S286-S289 VanDerWaalsContact O-N 3.17Å; S286-S289 PolarHBondContact O-OG 3.46Å
287F81.6Confident74.4Confident19 Ų19100.4 Ų100.48%0.08349%0.488CS..Hα-helixtrans-61.9-39.6178.5-177.9-88.9000112.6W283 L284 S289 P337 F338 D341 V342W283-F287 VanDerWaalsContact O-CB 3.24Å; W283-F287 WeakPolarHBondContact O-CB 3.09Å; W283-F287 PolarHBondContact O-N 3.3Å; L284-F287 WeakPolarHBondContact O-CB 3.25Å; L284-F287 PolarHBondContact O-N 3.13Å; F287-S289 VanDerWaalsContact C-N 3.3Å; F287-P337 HydrophobicContact CE2-CB 4.06Å; F287-F338 HydrophobicContact CD1-CD2 4.4Å; F287-F338 HydrophobicContact CE1-CD2 4.01Å; F287-F338 HydrophobicContact CE2-CB 4.35Å; F287-F338 HydrophobicContact CZ-CB 4.06Å; F287-F338 HydrophobicContact CZ-CD2 4.07Å; F287-D341 HydrophobicContact CD2-CB 4.04Å; F287-D341 HydrophobicContact CE2-CB 4.46Å; F287-V342 HydrophobicContact CB-CG2 3.55Å; F287-V342 HydrophobicContact CD1-CG2 4.41Å; F287-V342 HydrophobicContact CD2-CG2 3.65Å; F287-V342 HydrophobicContact CE2-CG2 4.38Å; F287-V342 HydrophobicContact CG-CG2 3.64Å
288L80.6Confident74.1Confident114 Ų114104.3 Ų104.360%0.59750%0.501SS*.THydrogen-bonded Turntrans-80-9.4177.8-64.2173.5000113.5L284 S286L284-L288 HydrophobicContact CD1-CD1 4.15Å; L284-L288 HydrophobicContact CD1-CG 4.33Å; L284-L288 HydrophobicContact CG-CD1 4.18Å; L284-L288 WeakPolarHBondContact O-CG 3.27Å; L284-L288 PolarHBondContact O-N 3.37Å; S286-L288 VanDerWaalsContact C-N 3.34Å; S286-L288 PolarHBondContact O-N 3.2Å
289S79.9Confident74.3Confident49 Ų4999 Ų9934%0.34348%0.475SS..SBendtrans-77.8142.9-178.879.70000112R285 S286 F287 K291 R292R285-S289 PolarHBondContact O-N 2.89Å; S286-S289 WeakPolarHBondContact O-CB 3.49Å; S286-S289 PolarHBondContact O-N 2.92Å; S286-S289 VanDerWaalsContact O-N 3.17Å; S286-S289 PolarHBondContact O-OG 3.46Å; F287-S289 VanDerWaalsContact C-N 3.3Å; S289-K291 PolarHBondContact O-N 2.93Å; S289-R292 PolarHBondContact O-N 2.96Å
290A65.8Low74.5Confident112 Ų11295.4 Ų95.493%0.92646%0.459SS*.SBendtrans-62.6-15.1178.500000114R292A290-R292 PolarHBondContact O-N 2.74Å
291K65.1Low74.7Confident180 Ų18090.3 Ų90.378%0.78344%0.435SS*.SBendtrans-99.153.2177.6-64.4-176.8-178.4179.20111.1S289 R293S289-K291 PolarHBondContact O-N 2.93Å; K291-R293 PolarHBondContact O-N 3.05Å
292R65.3Low74.8Confident90 Ų9092.2 Ų92.234%0.3444%0.444SS..  trans-61.794.5-179.4-163.8-171.7-145.5-168.99.1110.6S289 A290 E334S289-R292 PolarHBondContact O-N 2.96Å; A290-R292 PolarHBondContact O-N 2.74Å; R292-E334 IonicContact NH1-OE2 3.02Å
293R60.4Low74.9Confident209 Ų20992 Ų9279%0.78945%0.453SS*.  trans-87.3112.9162.1-77.2-168.2-113.2-139.30.9107.5K291 V295K291-R293 PolarHBondContact O-N 3.05Å; R293-V295 HydrophobicContact CB-CG2 4.45Å; R293-V295 PolarHBondContact O-N 3.38Å
294R59.5Low75.1Confident193 Ų19396.5 Ų96.573%0.72848%0.475SS*.  trans-66.5104.1167.8-79.7-168.8-73.8-160.7-2.7107.7
295V54Low75.4Confident98 Ų9895.4 Ų95.459%0.59447%0.469SS*.  trans-101.691.2169.5-177.50000105.7R293 N297R293-V295 HydrophobicContact CB-CG2 4.45Å; R293-V295 PolarHBondContact O-N 3.38Å; V295-N297 VanDerWaalsContact C-N 3.29Å; V295-N297 PolarHBondContact O-N 2.61Å
296V54.9Low75.7Confident109 Ų10987.8 Ų87.866%0.66144%0.444SS*.  trans-75.591.8170.1-176.10000106.3I298V296-I298 HydrophobicContact CG1-CG1 3.93Å; V296-I298 PolarHBondContact O-N 3.46Å
297N63.3Low76Confident42 Ų4289 Ų8923%0.22545%0.446CS..  trans-83.6101.9172-1703.4000107.9V295 Y299 Y367V295-N297 VanDerWaalsContact C-N 3.29Å; V295-N297 PolarHBondContact O-N 2.61Å; N297-Y299 PolarHBondContact O-N 2.83Å; N297-Y367 HydrophobicContact CB-CE1 4.17Å; N297-Y367 WeakPolarHBondContact ND2-CE1 3.14Å; N297-Y367 PolarHBondContact ND2-O 3.35Å
298I70.8Confident76.5Confident113 Ų11393.8 Ų93.858%0.57946%0.463SS*.  trans-77.376-178.7-50.8172.1000108.2V296 E301V296-I298 HydrophobicContact CG1-CG1 3.93Å; V296-I298 PolarHBondContact O-N 3.46Å; I298-E301 HydrophobicContact CG2-CG 4.43Å
299Y83.9Confident77.1Confident29 Ų2988.4 Ų88.411%0.11444%0.435CS..  trans-78.7-34.7177.7-169.7-82.1000111.9N254 L257 N297 I348 I352 Y367N254-Y299 PolarHBondContact ND2-O 3.47Å; L257-Y299 HydrophobicContact CD1-CE1 3.78Å; N297-Y299 PolarHBondContact O-N 2.83Å; Y299-I348 HydrophobicContact CD1-CD1 4.49Å; Y299-I348 HydrophobicContact CD1-CG2 3.65Å; Y299-I348 HydrophobicContact CE1-CG2 3.88Å; Y299-I348 HydrophobicContact CG-CG2 4.07Å; Y299-I352 HydrophobicContact CE1-CD1 4.23Å; Y299-I352 HydrophobicContact CE2-CD1 4.07Å; Y299-I352 WeakPolarHBondContact OH-CD1 3.27Å; Y299-Y367 AromaticContact CD2-CD2 3.57Å; Y299-Y367 HydrophobicContact CD2-CD2 3.57Å; Y299-Y367 HydrophobicContact CD2-CE2 4.09Å; Y299-Y367 HydrophobicContact CD2-CG 4.39Å; Y299-Y367 HydrophobicContact CE2-CD2 4.24Å; Y299-Y367 AromaticContact CG-CD2 3.81Å; Y299-Y367 HydrophobicContact CG-CD2 3.81Å; Y299-Y367 AromaticContact CG-CE2 3.95Å; Y299-Y367 HydrophobicContact CG-CE2 3.95Å
300L86.7Confident77.7Confident8 Ų888.1 Ų88.14%0.04243%0.427CS..  trans-97.5102.6171.9-62.9177000108.1N254 L306 V309 I348N254-L300 HydrophobicContact CB-CD2 3.87Å; L300-L306 HydrophobicContact CB-CB 4.31Å; L300-L306 HydrophobicContact CB-CD1 4.44Å; L300-L306 HydrophobicContact CD1-CD1 4.3Å; L300-V309 HydrophobicContact CD1-CB 4.47Å; L300-V309 HydrophobicContact CD1-CG2 4.15Å; L300-I348 HydrophobicContact CD1-CD1 4.21Å; L300-I348 HydrophobicContact CG-CD1 4.17Å
301E83.5Confident78.9Confident70 Ų7090.3 Ų90.333%0.32741%0.411SS..  trans-80-19.4178.7-67.3173.2-171.800112.5H247 I298 R371H247-E301 IonicContact CD2-OE2 3.44Å; H247-E301 PolarHBondContact CD2-OE2 2.64Å; H247-E301 VanDerWaalsContact CD2-OE2 3.24Å; H247-E301 IonicContact NE2-OE2 3.09Å; H247-E301 PolarHBondContact NE2-OE2 2.81Å; I298-E301 HydrophobicContact CG2-CG 4.43Å; E301-R371 IonicContact OE2-NH1 2.91Å; E301-R371 PolarHBondContact OE2-NH1 2.88Å
302D88.4Confident80.3Confident50 Ų5082.2 Ų82.227%0.26738%0.376SS..  trans-88.5120.4177.5-175.9-86.1000111.4Q304 Q305 L306D302-Q304 VanDerWaalsContact C-N 3.31Å; D302-Q304 PolarHBondContact O-N 2.8Å; D302-Q304 WeakPolarHBondContact OD1-CA 3.48Å; D302-Q304 WeakPolarHBondContact OD1-CB 3.33Å; D302-Q304 PolarHBondContact OD1-N 2.67Å; D302-Q305 HydrophobicContact CB-CB 4.09Å; D302-Q305 HydrophobicContact CB-CG 4Å; D302-Q305 WeakPolarHBondContact O-CB 3.41Å; D302-Q305 PolarHBondContact O-N 3.37Å; D302-Q305 WeakPolarHBondContact OD1-CG 3.46Å; D302-Q305 PolarHBondContact OD1-N 2.82Å; D302-L306 PolarHBondContact O-N 3.43Å
303D88.4Confident81.5Confident122 Ų12278 Ų7865%0.65236%0.36SS*.Hα-helixtrans-61.2-37.7-177-67.8-25.2000112.4Q305 L306 D307D303-Q305 PolarHBondContact O-N 2.74Å; D303-L306 PolarHBondContact O-N 3.04Å; D303-D307 VanDerWaalsContact O-CB 3.31Å; D303-D307 WeakPolarHBondContact O-CB 3.28Å; D303-D307 VanDerWaalsContact O-CG 3.24Å; D303-D307 PolarHBondContact O-N 2.92Å
304Q90.8Very high82.9Confident125 Ų12568.6 Ų68.658%0.58433%0.325SS*.Hα-helixtrans-68.4-38.8-179.9-58.3-175.23.700111.5D302 R308D302-Q304 VanDerWaalsContact C-N 3.31Å; D302-Q304 PolarHBondContact O-N 2.8Å; D302-Q304 WeakPolarHBondContact OD1-CA 3.48Å; D302-Q304 WeakPolarHBondContact OD1-CB 3.33Å; D302-Q304 PolarHBondContact OD1-N 2.67Å; Q304-R308 VanDerWaalsContact O-CG 3.23Å; Q304-R308 WeakPolarHBondContact O-CG 3.45Å; Q304-R308 PolarHBondContact O-N 3.18Å; Q304-R308 VanDerWaalsContact O-N 3.14Å
305Q91.3Very high84.4Confident7 Ų763.8 Ų63.83%0.03331%0.311CS..Hα-helixtrans-63.6-46.3174.1-71.4-176.4-18.500111.3N251 N254 E255 V258 D302 D303 R308 V309N251-Q305 PolarHBondContact O-NE2 2.93Å; N254-Q305 VanDerWaalsContact CB-OE1 3.27Å; E255-Q305 WeakPolarHBondContact OE2-CG 3.49Å; E255-Q305 PolarHBondContact OE2-NE2 2.87Å; V258-Q305 HydrophobicContact CG2-CB 3.91Å; V258-Q305 HydrophobicContact CG2-CG 4.16Å; D302-Q305 HydrophobicContact CB-CB 4.09Å; D302-Q305 HydrophobicContact CB-CG 4Å; D302-Q305 WeakPolarHBondContact O-CB 3.41Å; D302-Q305 PolarHBondContact O-N 3.37Å; D302-Q305 WeakPolarHBondContact OD1-CG 3.46Å; D302-Q305 PolarHBondContact OD1-N 2.82Å; D303-Q305 PolarHBondContact O-N 2.74Å; Q305-R308 PolarHBondContact O-N 3.49Å; Q305-V309 WeakPolarHBondContact O-CG2 3.45Å; Q305-V309 PolarHBondContact O-N 3.07Å
306L91.4Very high86Confident47 Ų4759.2 Ų59.225%0.24628%0.283CS..Hα-helixtrans-61.9-47178.5-178.959.9000111.3L300 D302 D303 R308 V309 Y310 L344L300-L306 HydrophobicContact CB-CB 4.31Å; L300-L306 HydrophobicContact CB-CD1 4.44Å; L300-L306 HydrophobicContact CD1-CD1 4.3Å; D302-L306 PolarHBondContact O-N 3.43Å; D303-L306 PolarHBondContact O-N 3.04Å; L306-R308 PolarHBondContact O-N 3.23Å; L306-V309 PolarHBondContact O-N 2.92Å; L306-Y310 WeakPolarHBondContact O-CB 3.4Å; L306-Y310 PolarHBondContact O-N 3.21Å; L306-L344 HydrophobicContact CD1-CD1 4.19Å; L306-L344 HydrophobicContact CD1-CD2 3.76Å
307D90.7Very high87.5Confident84 Ų8455.7 Ų55.745%0.44926%0.258SS..Hα-helixtrans-58-48.1179-79.8-19.4000111.4D303 V309 Y310 W311D303-D307 VanDerWaalsContact O-CB 3.31Å; D303-D307 WeakPolarHBondContact O-CB 3.28Å; D303-D307 VanDerWaalsContact O-CG 3.24Å; D303-D307 PolarHBondContact O-N 2.92Å; D307-V309 VanDerWaalsContact C-N 3.32Å; D307-V309 PolarHBondContact O-N 3.38Å; D307-Y310 PolarHBondContact O-N 3.34Å; D307-W311 PolarHBondContact O-N 3.44Å
308R92.3Very high88.5Confident119 Ų11956 Ų5645%0.44927%0.266SS..Hα-helixtrans-58-44.8178.9-72.8170.2-171.61797.7112.1E255 V258 Q304 Q305 L306 Y312E255-R308 IonicContact OE1-NH1 2.63Å; E255-R308 PolarHBondContact OE1-NH1 2.84Å; E255-R308 VanDerWaalsContact OE1-NH1 3.09Å; V258-R308 HydrophobicContact CG1-CB 4.38Å; Q304-R308 VanDerWaalsContact O-CG 3.23Å; Q304-R308 WeakPolarHBondContact O-CG 3.45Å; Q304-R308 PolarHBondContact O-N 3.18Å; Q304-R308 VanDerWaalsContact O-N 3.14Å; Q305-R308 PolarHBondContact O-N 3.49Å; L306-R308 PolarHBondContact O-N 3.23Å; R308-Y312 PolarHBondContact O-N 2.73Å
309V92.6Very high89.1Confident0 Ų056 Ų560%026%0.262CS..Hα-helixtrans-67.2-44.5178.1175.50000110V258 I261 V262 L300 Q305 L306 D307 W311 Y312 L313 L344V258-V309 HydrophobicContact CB-CG2 4.31Å; V258-V309 HydrophobicContact CG1-CG2 4.04Å; V258-V309 HydrophobicContact CG2-CG2 3.89Å; I261-V309 HydrophobicContact CG2-CG1 4.28Å; V262-V309 HydrophobicContact CG2-CG2 4.21Å; L300-V309 HydrophobicContact CD1-CB 4.47Å; L300-V309 HydrophobicContact CD1-CG2 4.15Å; Q305-V309 WeakPolarHBondContact O-CG2 3.45Å; Q305-V309 PolarHBondContact O-N 3.07Å; L306-V309 PolarHBondContact O-N 2.92Å; D307-V309 VanDerWaalsContact C-N 3.32Å; D307-V309 PolarHBondContact O-N 3.38Å; V309-W311 PolarHBondContact O-N 3.02Å; V309-Y312 PolarHBondContact O-N 3.33Å; V309-L313 HydrophobicContact CG1-CD1 3.73Å; V309-L313 HydrophobicContact CG1-CG 4.09Å; V309-L313 VanDerWaalsContact O-CG 3.24Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.31Å; V309-L344 HydrophobicContact CB-CD1 4.42Å; V309-L344 HydrophobicContact CG1-CD1 3.58Å
310Y91.8Very high88.9Confident44 Ų4454.7 Ų54.717%0.17326%0.258CS..Hα-helixtrans-57.4-51.1177.7174-98000111.6L306 D307 Y312 L313 N314 V339 L340L306-Y310 WeakPolarHBondContact O-CB 3.4Å; L306-Y310 PolarHBondContact O-N 3.21Å; D307-Y310 PolarHBondContact O-N 3.34Å; Y310-Y312 VanDerWaalsContact C-N 3.32Å; Y310-Y312 PolarHBondContact O-N 2.99Å; Y310-L313 PolarHBondContact O-N 2.89Å; Y310-N314 HydrophobicContact CE1-CB 4.48Å; Y310-N314 WeakPolarHBondContact O-CB 3.2Å; Y310-N314 PolarHBondContact O-N 2.83Å; Y310-V339 HydrophobicContact CD2-CB 4.4Å; Y310-V339 HydrophobicContact CD2-CG1 3.56Å; Y310-V339 HydrophobicContact CE2-CB 4.1Å; Y310-V339 HydrophobicContact CE2-CG1 3.74Å; Y310-L340 HydrophobicContact CD2-CD2 3.81Å; Y310-L340 HydrophobicContact CD2-CG 4.42Å; Y310-L340 HydrophobicContact CE2-CD2 4.28Å; Y310-L340 HydrophobicContact CE2-CG 4.41Å
311W92.1Very high88.1Confident158 Ų15857 Ų5760%0.59827%0.272SS*.Hα-helixtrans-56.7-45.5177.9-77.3111.6000111.9D307 V309 N314 E315D307-W311 PolarHBondContact O-N 3.44Å; V309-W311 PolarHBondContact O-N 3.02Å; W311-N314 PolarHBondContact O-N 3.02Å; W311-E315 WeakPolarHBondContact O-CG 3.41Å; W311-E315 PolarHBondContact O-N 3.17Å
312Y93.4Very high87.3Confident10 Ų1058.7 Ų58.74%0.03929%0.289CS..Hα-helixtrans-60.9-49.2176.5170.5-108.2000112.8I261 V262 R265 E268 R308 V309 Y310 N314 E315 L316I261-Y312 HydrophobicContact CG2-CD1 3.72Å; I261-Y312 HydrophobicContact CG2-CE1 3.78Å; I261-Y312 WeakPolarHBondContact O-CE1 3.34Å; V262-Y312 HydrophobicContact CG1-CG 4.41Å; V262-Y312 HydrophobicContact CG2-CD1 4.32Å; V262-Y312 HydrophobicContact CG2-CG 4.19Å; R265-Y312 HydrophobicContact CG-CE2 3.96Å; E268-Y312 WeakPolarHBondContact CB-OH 3.49Å; E268-Y312 PolarHBondContact OE2-OH 3.22Å; E268-Y312 VanDerWaalsContact OE2-OH 3.05Å; R308-Y312 PolarHBondContact O-N 2.73Å; V309-Y312 PolarHBondContact O-N 3.33Å; Y310-Y312 VanDerWaalsContact C-N 3.32Å; Y310-Y312 PolarHBondContact O-N 2.99Å; Y312-N314 VanDerWaalsContact C-N 3.26Å; Y312-N314 PolarHBondContact O-N 3.29Å; Y312-E315 PolarHBondContact O-N 3.46Å; Y312-L316 HydrophobicContact CD1-CD1 4.18Å; Y312-L316 HydrophobicContact CD2-CG 4.48Å; Y312-L316 HydrophobicContact CE1-CD1 3.47Å; Y312-L316 VanDerWaalsContact CE1-CD1 3.47Å; Y312-L316 HydrophobicContact CE1-CG 4.21Å; Y312-L316 HydrophobicContact CE2-CD1 4.07Å; Y312-L316 HydrophobicContact CE2-CD2 4.27Å; Y312-L316 HydrophobicContact CE2-CG 4Å; Y312-L316 VanDerWaalsContact CZ-CD1 3.42Å; Y312-L316 PolarHBondContact O-N 3.05Å; Y312-L316 WeakPolarHBondContact OH-CD1 3.31Å
313L92.1Very high86Confident0 Ų063.6 Ų63.60%031%0.308CS..Hα-helixtrans-63.8-36.3178.8-65.6177.3000111.6L271 V309 Y310 L316 Y317 V339 L343 L344 A347L271-L313 HydrophobicContact CD1-CD2 3.46Å; L271-L313 VanDerWaalsContact CD1-CD2 3.46Å; V309-L313 HydrophobicContact CG1-CD1 3.73Å; V309-L313 HydrophobicContact CG1-CG 4.09Å; V309-L313 VanDerWaalsContact O-CG 3.24Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 3.31Å; Y310-L313 PolarHBondContact O-N 2.89Å; L313-L316 PolarHBondContact O-N 3.47Å; L313-Y317 WeakPolarHBondContact O-CB 3.43Å; L313-Y317 PolarHBondContact O-N 3.44Å; L313-V339 HydrophobicContact CB-CG1 3.76Å; L313-V339 HydrophobicContact CD1-CG1 4.31Å; L313-L343 HydrophobicContact CD1-CB 4.18Å; L313-L343 HydrophobicContact CD2-CB 4.35Å; L313-L344 HydrophobicContact CD1-CB 4.03Å; L313-L344 HydrophobicContact CD1-CD1 4.04Å; L313-A347 HydrophobicContact CD1-CB 4.33Å; L313-A347 HydrophobicContact CD2-CB 3.96Å
314N89.8Confident84.7Confident13 Ų1358.3 Ų58.37%0.0728%0.28CS..Hα-helixtrans-68.8-36.4179.2-165.540.1000112.3Y310 W311 Y312 A318 R335Y310-N314 HydrophobicContact CE1-CB 4.48Å; Y310-N314 WeakPolarHBondContact O-CB 3.2Å; Y310-N314 PolarHBondContact O-N 2.83Å; W311-N314 PolarHBondContact O-N 3.02Å; Y312-N314 VanDerWaalsContact C-N 3.26Å; Y312-N314 PolarHBondContact O-N 3.29Å; N314-A318 WeakPolarHBondContact O-CB 3.24Å; N314-A318 PolarHBondContact O-N 3.46Å; N314-A318 VanDerWaalsContact O-N 3.13Å; N314-R335 PolarHBondContact ND2-NH2 3.35Å; N314-R335 VanDerWaalsContact ND2-NH2 3.11Å; N314-R335 PolarHBondContact O-NH2 3.21Å; N314-R335 PolarHBondContact OD1-NE 3.34Å; N314-R335 PolarHBondContact OD1-NH2 3.31Å
315E89.8Confident83Confident91 Ų9157.7 Ų57.743%0.42529%0.287SS..Hα-helixtrans-67.4-43.9169.7-77.3-172-167.400112.2W311 Y312 Y317 A318 K319W311-E315 WeakPolarHBondContact O-CG 3.41Å; W311-E315 PolarHBondContact O-N 3.17Å; Y312-E315 PolarHBondContact O-N 3.46Å; E315-Y317 VanDerWaalsContact C-N 3.32Å; E315-Y317 PolarHBondContact O-N 3.17Å; E315-A318 PolarHBondContact O-N 2.75Å; E315-K319 WeakPolarHBondContact O-CG 3.45Å; E315-K319 PolarHBondContact O-N 3.49Å; E315-K319 IonicContact OE2-NZ 3.42Å; E315-K319 PolarHBondContact OE2-NZ 3.3Å
316L88.3Confident81.3Confident3 Ų366.2 Ų66.22%0.01632%0.319CS..Hα-helixtrans-59.8-44.9177-78.7-175.4000111.5E268 L271 Y312 L313 K319 A320E268-L316 HydrophobicContact CG-CD1 4.23Å; E268-L316 HydrophobicContact CG-CD2 3.68Å; L271-L316 HydrophobicContact CD1-CD1 3.98Å; Y312-L316 HydrophobicContact CD1-CD1 4.18Å; Y312-L316 HydrophobicContact CD2-CG 4.48Å; Y312-L316 HydrophobicContact CE1-CD1 3.47Å; Y312-L316 VanDerWaalsContact CE1-CD1 3.47Å; Y312-L316 HydrophobicContact CE1-CG 4.21Å; Y312-L316 HydrophobicContact CE2-CD1 4.07Å; Y312-L316 HydrophobicContact CE2-CD2 4.27Å; Y312-L316 HydrophobicContact CE2-CG 4Å; Y312-L316 VanDerWaalsContact CZ-CD1 3.42Å; Y312-L316 PolarHBondContact O-N 3.05Å; Y312-L316 WeakPolarHBondContact OH-CD1 3.31Å; L313-L316 PolarHBondContact O-N 3.47Å; L316-K319 PolarHBondContact O-N 3.36Å; L316-A320 VanDerWaalsContact O-CB 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 2.81Å
317Y85.6Confident79.5Confident34 Ų3465.5 Ų65.513%0.13332%0.316CS..Hα-helixtrans-58.1-50.3175.3-178.1-100000111L313 E315 K319 A320 V321 L327 R335 F338 L343L313-Y317 WeakPolarHBondContact O-CB 3.43Å; L313-Y317 PolarHBondContact O-N 3.44Å; E315-Y317 VanDerWaalsContact C-N 3.32Å; E315-Y317 PolarHBondContact O-N 3.17Å; Y317-K319 VanDerWaalsContact C-N 3.27Å; Y317-K319 PolarHBondContact O-N 2.97Å; Y317-A320 PolarHBondContact O-N 3.5Å; Y317-A320 VanDerWaalsContact O-N 3.07Å; Y317-V321 HydrophobicContact CD1-CG2 3.86Å; Y317-V321 HydrophobicContact CD2-CG2 4.01Å; Y317-V321 HydrophobicContact CE1-CG2 3.49Å; Y317-V321 VanDerWaalsContact CE1-CG2 3.49Å; Y317-V321 HydrophobicContact CE2-CG2 3.65Å; Y317-V321 HydrophobicContact CG-CG2 4.11Å; Y317-V321 VanDerWaalsContact O-CG2 3.26Å; Y317-V321 WeakPolarHBondContact O-CG2 3.31Å; Y317-V321 PolarHBondContact O-N 3.33Å; Y317-L327 HydrophobicContact CE2-CD2 3.94Å; Y317-R335 HydrophobicContact CD1-CG 3.95Å; Y317-R335 HydrophobicContact CE1-CB 4.45Å; Y317-R335 HydrophobicContact CE1-CG 3.93Å; Y317-F338 AromaticContact CD2-CD1 3.55Å; Y317-F338 HydrophobicContact CD2-CD1 3.55Å; Y317-F338 AromaticContact CD2-CE1 3.61Å; Y317-F338 HydrophobicContact CD2-CE1 3.61Å; Y317-F338 AromaticContact CE2-CD1 3.39Å; Y317-F338 HydrophobicContact CE2-CD1 3.39Å; Y317-F338 AromaticContact CE2-CE1 3.57Å; Y317-F338 HydrophobicContact CE2-CE1 3.57Å; Y317-F338 HydrophobicContact CE2-CG 4.17Å; Y317-F338 HydrophobicContact CE2-CZ 4.46Å; Y317-L343 HydrophobicContact CD2-CD1 4.29Å
318A84.8Confident77.6Confident48 Ų4865.4 Ų65.440%0.39733%0.326SS..Hα-helixtrans-58.6-36.2178.700000113.3N314 E315 P322N314-A318 WeakPolarHBondContact O-CB 3.24Å; N314-A318 PolarHBondContact O-N 3.46Å; N314-A318 VanDerWaalsContact O-N 3.13Å; E315-A318 PolarHBondContact O-N 2.75Å; A318-P322 VanDerWaalsContact O-CD 3.26Å; A318-P322 WeakPolarHBondContact O-CD 3.32Å
319K84Confident75.6Confident114 Ų11467 Ų6750%0.49634%0.344SS..Hα-helixtrans-74.3-27.9177.3-71.2169-174.8163.10113.4E315 L316 Y317E315-K319 WeakPolarHBondContact O-CG 3.45Å; E315-K319 PolarHBondContact O-N 3.49Å; E315-K319 IonicContact OE2-NZ 3.42Å; E315-K319 PolarHBondContact OE2-NZ 3.3Å; L316-K319 PolarHBondContact O-N 3.36Å; Y317-K319 VanDerWaalsContact C-N 3.27Å; Y317-K319 PolarHBondContact O-N 2.97Å
320A78.6Confident73.6Confident2 Ų269.2 Ų69.22%0.01736%0.357CS..Hα-helixtrans-91.2-34.6-173.200000113.7L272 I275 L316 Y317 P322 K323 S324L272-A320 HydrophobicContact CD2-CB 3.65Å; I275-A320 HydrophobicContact CB-CB 4.33Å; I275-A320 HydrophobicContact CD1-CB 4.01Å; I275-A320 HydrophobicContact CG2-CB 3.72Å; L316-A320 VanDerWaalsContact O-CB 3.3Å; L316-A320 WeakPolarHBondContact O-CB 3.47Å; L316-A320 PolarHBondContact O-N 2.81Å; Y317-A320 PolarHBondContact O-N 3.5Å; Y317-A320 VanDerWaalsContact O-N 3.07Å; A320-P322 VanDerWaalsContact C-CD 3.48Å; A320-K323 PolarHBondContact O-N 3.04Å; A320-S324 PolarHBondContact O-OG 3.01Å
321V71Confident71.5Confident55 Ų5575.6 Ų75.633%0.33339%0.386SS..G310 helixtrans-53.1-44.1-178.5167.40000113.8Y317 K323 S324Y317-V321 HydrophobicContact CD1-CG2 3.86Å; Y317-V321 HydrophobicContact CD2-CG2 4.01Å; Y317-V321 HydrophobicContact CE1-CG2 3.49Å; Y317-V321 VanDerWaalsContact CE1-CG2 3.49Å; Y317-V321 HydrophobicContact CE2-CG2 3.65Å; Y317-V321 HydrophobicContact CG-CG2 4.11Å; Y317-V321 VanDerWaalsContact O-CG2 3.26Å; Y317-V321 WeakPolarHBondContact O-CG2 3.31Å; Y317-V321 PolarHBondContact O-N 3.33Å; V321-K323 PolarHBondContact O-N 3.44Å; V321-S324 PolarHBondContact O-N 2.98Å; V321-S324 PolarHBondContact O-OG 3.37Å
322P65.1Low69.4Low106 Ų10674 Ų7469%0.68840%0.399SS*.G310 helixtrans-63.3-13.3179.2-21.833000114.4A318 A320A318-P322 VanDerWaalsContact O-CD 3.26Å; A318-P322 WeakPolarHBondContact O-CD 3.32Å; A320-P322 VanDerWaalsContact C-CD 3.48Å
323K62.8Low67.4Low154 Ų15478.7 Ų78.767%0.6742%0.422SS*.G310 helixtrans-110.73.8-172.3-59.1-178.5-179.2179.30113.3A320 V321A320-K323 PolarHBondContact O-N 3.04Å; V321-K323 PolarHBondContact O-N 3.44Å
324S59.9Low66.3Low10 Ų1084 Ų847%0.0745%0.447CS..  trans-126.1104.2-173.955.50000112.3A320 V321 R326A320-S324 PolarHBondContact O-OG 3.01Å; V321-S324 PolarHBondContact O-N 2.98Å; V321-S324 PolarHBondContact O-OG 3.37Å; S324-R326 VanDerWaalsContact C-N 3.32Å; S324-R326 PolarHBondContact O-N 3.38Å
325P56Low65.7Low113 Ų11388.7 Ų88.773%0.73446%0.464SS*.G310 helixtrans-67.7-25.4-179.62.10.4000114.3L327 A328P325-L327 VanDerWaalsContact C-N 3.32Å; P325-L327 PolarHBondContact O-N 2.9Å; P325-A328 WeakPolarHBondContact O-CB 3.29Å; P325-A328 PolarHBondContact O-N 3.36Å
326R54.4Low65.4Low185 Ų18587.6 Ų87.670%0.69846%0.463SS*.G310 helixtrans-72-18.1-177.5-73-171.5174.3162.6-1.5115.2G277 S324G277-R326 PolarHBondContact O-NH1 3.48Å; S324-R326 VanDerWaalsContact C-N 3.32Å; S324-R326 PolarHBondContact O-N 3.38Å
327L53.4Low65.3Low33 Ų3388.6 Ų88.617%0.17347%0.47CS..G310 helixtrans-90.1-8.8174.4-104.3107.2000113.2I275 Y317 P325 D329 V330I275-L327 HydrophobicContact CG2-CD1 4.28Å; I275-L327 WeakPolarHBondContact O-CD1 3.4Å; Y317-L327 HydrophobicContact CE2-CD2 3.94Å; P325-L327 VanDerWaalsContact C-N 3.32Å; P325-L327 PolarHBondContact O-N 2.9Å; L327-D329 VanDerWaalsContact C-N 3.29Å; L327-D329 PolarHBondContact O-N 3.09Å; L327-V330 PolarHBondContact O-N 3.44Å
328A51Low65.3Low82 Ų8287.4 Ų87.468%0.67847%0.465SS*.THydrogen-bonded Turntrans-69.3-27.3-179.600000112.7P325 V330P325-A328 WeakPolarHBondContact O-CB 3.29Å; P325-A328 PolarHBondContact O-N 3.36Å; A328-V330 VanDerWaalsContact C-N 3.33Å
329D50.6Low65.5Low152 Ų15285.1 Ų85.181%0.81345%0.447SS*.THydrogen-bonded Turntrans-78-15.9175.2-88.4-24.4000113.6L327 K331L327-D329 VanDerWaalsContact C-N 3.29Å; L327-D329 PolarHBondContact O-N 3.09Å; D329-K331 PolarHBondContact O-N 3.34Å
330V51.1Low65.6Low47 Ų4782.8 Ų82.829%0.28544%0.439SS..SBendtrans-82.772.7173.1-177.70000107.5L327 A328 S332 M333L327-V330 PolarHBondContact O-N 3.44Å; A328-V330 VanDerWaalsContact C-N 3.33Å; V330-S332 PolarHBondContact O-N 3.5Å; V330-M333 HydrophobicContact CG1-CB 3.62Å; V330-M333 HydrophobicContact CG1-CG 4.43Å; V330-M333 HydrophobicContact CG1-SD 4.05Å
331K47.8Very low66Low178 Ų17884.2 Ų84.277%0.77445%0.447SS*.THydrogen-bonded Turntrans-28.9104.4171.8-78176.8175.1176.50111.1D329 M333D329-K331 PolarHBondContact O-N 3.34Å; K331-M333 WeakPolarHBondContact O-CA 3.46Å; K331-M333 WeakPolarHBondContact O-CB 3.2Å; K331-M333 PolarHBondContact O-N 2.84Å
332S47.9Very low66.7Low125 Ų12581.6 Ų81.687%0.87443%0.431SS*.THydrogen-bonded Turntrans36.841.4160.860.30000114.9V330 E334V330-S332 PolarHBondContact O-N 3.5Å; S332-E334 PolarHBondContact O-N 2.92Å; S332-E334 VanDerWaalsContact O-N 3.15Å
333M51.7Low67.9Low107 Ų10776.6 Ų76.653%0.52740%0.398SS..  trans-92.193.1-169.4-123.9178.7172.400107.1V330 K331 R335V330-M333 HydrophobicContact CG1-CB 3.62Å; V330-M333 HydrophobicContact CG1-CG 4.43Å; V330-M333 HydrophobicContact CG1-SD 4.05Å; K331-M333 WeakPolarHBondContact O-CA 3.46Å; K331-M333 WeakPolarHBondContact O-CB 3.2Å; K331-M333 PolarHBondContact O-N 2.84Å; M333-R335 PolarHBondContact O-N 3.19Å
334E68.4Low69.3Low111 Ų11170.1 Ų70.152%0.51937%0.371SS..  trans30.184.9161.2-50.3179142.900114.2R292 S332 V336 P337 F338R292-E334 IonicContact NH1-OE2 3.02Å; S332-E334 PolarHBondContact O-N 2.92Å; S332-E334 VanDerWaalsContact O-N 3.15Å; E334-V336 PolarHBondContact O-N 2.84Å; E334-P337 HydrophobicContact CB-CB 4.21Å; E334-P337 HydrophobicContact CB-CG 3.49Å; E334-P337 VanDerWaalsContact CB-CG 3.49Å; E334-P337 HydrophobicContact CG-CG 4.43Å; E334-P337 WeakPolarHBondContact O-CD 3.4Å; E334-P337 WeakPolarHBondContact OE2-CG 3.48Å; E334-F338 PolarHBondContact O-N 3.15Å
335R77.6Confident70.9Confident113 Ų11369.7 Ų69.743%0.42637%0.368SS..Hα-helixtrans-41.6-40.3174.7178.2177.8-176-166.1-1.2112.8N314 Y317 M333 V339N314-R335 PolarHBondContact ND2-NH2 3.35Å; N314-R335 VanDerWaalsContact ND2-NH2 3.11Å; N314-R335 PolarHBondContact O-NH2 3.21Å; N314-R335 PolarHBondContact OD1-NE 3.34Å; N314-R335 PolarHBondContact OD1-NH2 3.31Å; Y317-R335 HydrophobicContact CD1-CG 3.95Å; Y317-R335 HydrophobicContact CE1-CB 4.45Å; Y317-R335 HydrophobicContact CE1-CG 3.93Å; M333-R335 PolarHBondContact O-N 3.19Å; R335-V339 VanDerWaalsContact O-CG2 3.31Å; R335-V339 WeakPolarHBondContact O-CG2 3.25Å; R335-V339 PolarHBondContact O-N 3.11Å; R335-V339 VanDerWaalsContact O-N 3.15Å
336V83.1Confident72.6Confident68 Ų6864.8 Ų64.841%0.41234%0.335SS..Hα-helixtrans-66.3-57.3-176.5178.70000111.7E334 F338 V339 L340E334-V336 PolarHBondContact O-N 2.84Å; V336-F338 VanDerWaalsContact C-N 3.29Å; V336-F338 PolarHBondContact O-N 2.94Å; V336-V339 PolarHBondContact O-N 2.85Å; V336-V339 VanDerWaalsContact O-N 3.11Å; V336-L340 HydrophobicContact CG1-CD1 3.8Å; V336-L340 HydrophobicContact CG1-CG 4.41Å; V336-L340 WeakPolarHBondContact O-CG 3.29Å; V336-L340 PolarHBondContact O-N 3.22Å
337P85.6Confident74.5Confident24 Ų2456 Ų5616%0.15630%0.302CS..Hα-helixtrans-50.6-40.2170.5-34.634.6000115.2F287 E334 L340 D341F287-P337 HydrophobicContact CE2-CB 4.06Å; E334-P337 HydrophobicContact CB-CB 4.21Å; E334-P337 HydrophobicContact CB-CG 3.49Å; E334-P337 VanDerWaalsContact CB-CG 3.49Å; E334-P337 HydrophobicContact CG-CG 4.43Å; E334-P337 WeakPolarHBondContact O-CD 3.4Å; E334-P337 WeakPolarHBondContact OE2-CG 3.48Å; P337-L340 PolarHBondContact O-N 3.12Å; P337-D341 WeakPolarHBondContact O-CA 3.45Å; P337-D341 WeakPolarHBondContact O-CB 3.23Å; P337-D341 PolarHBondContact O-N 2.83Å
338F85.7Confident76.4Confident8 Ų854.6 Ų54.64%0.03530%0.295CS..Hα-helixtrans-64.9-42.9177.9-175.1-95.9000111.8I275 L284 F287 Y317 E334 V336 V342 L343I275-F338 HydrophobicContact CG1-CE1 4.21Å; L284-F338 HydrophobicContact CD1-CE2 3.81Å; L284-F338 HydrophobicContact CD1-CZ 4.5Å; F287-F338 HydrophobicContact CD1-CD2 4.4Å; F287-F338 HydrophobicContact CE1-CD2 4.01Å; F287-F338 HydrophobicContact CE2-CB 4.35Å; F287-F338 HydrophobicContact CZ-CB 4.06Å; F287-F338 HydrophobicContact CZ-CD2 4.07Å; Y317-F338 AromaticContact CD2-CD1 3.55Å; Y317-F338 HydrophobicContact CD2-CD1 3.55Å; Y317-F338 AromaticContact CD2-CE1 3.61Å; Y317-F338 HydrophobicContact CD2-CE1 3.61Å; Y317-F338 AromaticContact CE2-CD1 3.39Å; Y317-F338 HydrophobicContact CE2-CD1 3.39Å; Y317-F338 AromaticContact CE2-CE1 3.57Å; Y317-F338 HydrophobicContact CE2-CE1 3.57Å; Y317-F338 HydrophobicContact CE2-CG 4.17Å; Y317-F338 HydrophobicContact CE2-CZ 4.46Å; E334-F338 PolarHBondContact O-N 3.15Å; V336-F338 VanDerWaalsContact C-N 3.29Å; V336-F338 PolarHBondContact O-N 2.94Å; F338-V342 HydrophobicContact CD2-CB 4.35Å; F338-V342 HydrophobicContact CD2-CG2 4.12Å; F338-V342 HydrophobicContact CE2-CB 4.27Å; F338-V342 HydrophobicContact CE2-CG1 4.28Å; F338-V342 HydrophobicContact CE2-CG2 4.24Å; F338-V342 HydrophobicContact CZ-CG1 4.37Å; F338-V342 VanDerWaalsContact O-CB 3.32Å; F338-V342 WeakPolarHBondContact O-CB 3.27Å; F338-V342 PolarHBondContact O-N 3.26Å; F338-V342 VanDerWaalsContact O-N 3.15Å; F338-L343 HydrophobicContact CD1-CD1 3.97Å; F338-L343 HydrophobicContact CD1-CG 3.97Å; F338-L343 HydrophobicContact CE1-CD1 3.78Å; F338-L343 HydrophobicContact CE1-CD2 3.81Å; F338-L343 HydrophobicContact CE1-CG 3.65Å; F338-L343 HydrophobicContact CZ-CD2 4.33Å; F338-L343 PolarHBondContact O-N 3.47Å
339V88.8Confident78.4Confident0 Ų050.9 Ų50.90%026%0.263CS..Iπ-helixtrans-63.7-46176.8174.20000110.8Y310 L313 R335 V336 L343 L344Y310-V339 HydrophobicContact CD2-CB 4.4Å; Y310-V339 HydrophobicContact CD2-CG1 3.56Å; Y310-V339 HydrophobicContact CE2-CB 4.1Å; Y310-V339 HydrophobicContact CE2-CG1 3.74Å; L313-V339 HydrophobicContact CB-CG1 3.76Å; L313-V339 HydrophobicContact CD1-CG1 4.31Å; R335-V339 VanDerWaalsContact O-CG2 3.31Å; R335-V339 WeakPolarHBondContact O-CG2 3.25Å; R335-V339 PolarHBondContact O-N 3.11Å; R335-V339 VanDerWaalsContact O-N 3.15Å; V336-V339 PolarHBondContact O-N 2.85Å; V336-V339 VanDerWaalsContact O-N 3.11Å; V339-L343 HydrophobicContact CG2-CD1 4.25Å; V339-L343 PolarHBondContact O-N 3.48Å; V339-L344 VanDerWaalsContact O-CB 3.3Å; V339-L344 WeakPolarHBondContact O-CB 3.34Å; V339-L344 PolarHBondContact O-N 2.99Å
340L87.6Confident80.4Confident65 Ų6546 Ų4634%0.3423%0.234SC..Iπ-helixtrans-78.8-39.8-174.6-64.6178.1000113.9Y310 V336 P337 L344 P345Y310-L340 HydrophobicContact CD2-CD2 3.81Å; Y310-L340 HydrophobicContact CD2-CG 4.42Å; Y310-L340 HydrophobicContact CE2-CD2 4.28Å; Y310-L340 HydrophobicContact CE2-CG 4.41Å; V336-L340 HydrophobicContact CG1-CD1 3.8Å; V336-L340 HydrophobicContact CG1-CG 4.41Å; V336-L340 WeakPolarHBondContact O-CG 3.29Å; V336-L340 PolarHBondContact O-N 3.22Å; P337-L340 PolarHBondContact O-N 3.12Å; L340-L344 HydrophobicContact CD2-CD2 3.98Å; L340-P345 WeakPolarHBondContact O-CD 3.41Å
341D85.6Confident82.5Confident33 Ų3343.8 Ų43.818%0.17622%0.22CC..Iπ-helixtrans-90.6-18.1-173.8-61.9-22.5000112.8F287 P337 P345F287-D341 HydrophobicContact CD2-CB 4.04Å; F287-D341 HydrophobicContact CE2-CB 4.46Å; P337-D341 WeakPolarHBondContact O-CA 3.45Å; P337-D341 WeakPolarHBondContact O-CB 3.23Å; P337-D341 PolarHBondContact O-N 2.83Å; D341-P345 WeakPolarHBondContact O-CG 3.5Å
342V87.1Confident84.7Confident0 Ų035.4 Ų35.40%018%0.184CC..Iπ-helixtrans-121.2-59.6-177.5-174.30000112.2V274 W283 L284 F287 F338 P345 E346V274-V342 HydrophobicContact CG1-CG1 4.27Å; W283-V342 HydrophobicContact CB-CG1 4.32Å; L284-V342 HydrophobicContact CB-CG1 3.95Å; L284-V342 HydrophobicContact CD1-CG1 4.4Å; F287-V342 HydrophobicContact CB-CG2 3.55Å; F287-V342 HydrophobicContact CD1-CG2 4.41Å; F287-V342 HydrophobicContact CD2-CG2 3.65Å; F287-V342 HydrophobicContact CE2-CG2 4.38Å; F287-V342 HydrophobicContact CG-CG2 3.64Å; F338-V342 HydrophobicContact CD2-CB 4.35Å; F338-V342 HydrophobicContact CD2-CG2 4.12Å; F338-V342 HydrophobicContact CE2-CB 4.27Å; F338-V342 HydrophobicContact CE2-CG1 4.28Å; F338-V342 HydrophobicContact CE2-CG2 4.24Å; F338-V342 HydrophobicContact CZ-CG1 4.37Å; F338-V342 VanDerWaalsContact O-CB 3.32Å; F338-V342 WeakPolarHBondContact O-CB 3.27Å; F338-V342 PolarHBondContact O-N 3.26Å; F338-V342 VanDerWaalsContact O-N 3.15Å; V342-P345 WeakPolarHBondContact O-CD 3.34Å; V342-P345 WeakPolarHBondContact O-CG 3.32Å; V342-E346 WeakPolarHBondContact O-CB 3.22Å; V342-E346 PolarHBondContact O-N 3Å
343L90.8Very high86.9Confident1 Ų130.1 Ų30.11%0.00515%0.148CC..Iπ-helixtrans-72.6-39.7-171.6-61.9-178.1000112.6L271 I275 L313 Y317 F338 V339 E346 A347L271-L343 HydrophobicContact CD2-CD2 4.21Å; I275-L343 HydrophobicContact CD1-CD1 4.17Å; I275-L343 HydrophobicContact CD1-CD2 4.12Å; I275-L343 HydrophobicContact CG1-CD1 4.41Å; I275-L343 HydrophobicContact CG1-CD2 3.77Å; L313-L343 HydrophobicContact CD1-CB 4.18Å; L313-L343 HydrophobicContact CD2-CB 4.35Å; Y317-L343 HydrophobicContact CD2-CD1 4.29Å; F338-L343 HydrophobicContact CD1-CD1 3.97Å; F338-L343 HydrophobicContact CD1-CG 3.97Å; F338-L343 HydrophobicContact CE1-CD1 3.78Å; F338-L343 HydrophobicContact CE1-CD2 3.81Å; F338-L343 HydrophobicContact CE1-CG 3.65Å; F338-L343 HydrophobicContact CZ-CD2 4.33Å; F338-L343 PolarHBondContact O-N 3.47Å; V339-L343 HydrophobicContact CG2-CD1 4.25Å; V339-L343 PolarHBondContact O-N 3.48Å; L343-E346 PolarHBondContact O-N 3.41Å; L343-A347 WeakPolarHBondContact O-CB 3.35Å; L343-A347 PolarHBondContact O-N 3.24Å
344L92.2Very high88.9Confident17 Ų1726.3 Ų26.39%0.08914%0.136CC..Hα-helixtrans-62.2-53.9179.8-178.167.9000112.5L306 V309 L313 V339 L340 E346 A347 I348L306-L344 HydrophobicContact CD1-CD1 4.19Å; L306-L344 HydrophobicContact CD1-CD2 3.76Å; V309-L344 HydrophobicContact CB-CD1 4.42Å; V309-L344 HydrophobicContact CG1-CD1 3.58Å; L313-L344 HydrophobicContact CD1-CB 4.03Å; L313-L344 HydrophobicContact CD1-CD1 4.04Å; V339-L344 VanDerWaalsContact O-CB 3.3Å; V339-L344 WeakPolarHBondContact O-CB 3.34Å; V339-L344 PolarHBondContact O-N 2.99Å; L340-L344 HydrophobicContact CD2-CD2 3.98Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 3.45Å; L344-A347 PolarHBondContact O-N 3.24Å; L344-I348 HydrophobicContact CD1-CD1 3.89Å; L344-I348 HydrophobicContact CD1-CG1 4.38Å; L344-I348 HydrophobicContact CG-CD1 3.95Å; L344-I348 WeakPolarHBondContact O-CG1 3.48Å; L344-I348 PolarHBondContact O-N 3.2Å
345P92Very high90.1Very high2 Ų223.2 Ų23.21%0.01313%0.125CC..Hα-helixtrans-61.3-40.2176.819.4-30.2000112.2W283 L340 D341 V342 I348 I349 Y367W283-P345 HydrophobicContact CB-CG 4.3Å; W283-P345 HydrophobicContact CD2-CB 3.81Å; W283-P345 HydrophobicContact CD2-CG 3.87Å; W283-P345 HydrophobicContact CE3-CB 4.26Å; W283-P345 HydrophobicContact CE3-CG 4.19Å; W283-P345 HydrophobicContact CG-CB 4.12Å; W283-P345 HydrophobicContact CG-CG 3.89Å; W283-P345 HydrophobicContact CZ2-CB 4.12Å; L340-P345 WeakPolarHBondContact O-CD 3.41Å; D341-P345 WeakPolarHBondContact O-CG 3.5Å; V342-P345 WeakPolarHBondContact O-CD 3.34Å; V342-P345 WeakPolarHBondContact O-CG 3.32Å; P345-I348 PolarHBondContact O-N 3.33Å; P345-I349 WeakPolarHBondContact O-CB 3.32Å; P345-I349 WeakPolarHBondContact O-CD1 3.47Å; P345-I349 WeakPolarHBondContact O-CG1 3.16Å; P345-I349 PolarHBondContact O-N 3.33Å; P345-Y367 HydrophobicContact CB-CE1 3.86Å
346E92.3Very high90.7Very high10 Ų1021.3 Ų21.35%0.04712%0.123CC..Hα-helixtrans-63.4-43.8177.2-160.282.1-163.700111.1R270 L271 V274 S281 W283 V342 L343 L344 I348 I349 Y350R270-E346 IonicContact CZ-OE1 3.46Å; R270-E346 IonicContact NE-OE1 3.52Å; R270-E346 IonicContact NH1-OE1 3.24Å; R270-E346 IonicContact NH2-OE1 3.92Å; R270-E346 PolarHBondContact NH2-OE1 3.06Å; L271-E346 HydrophobicContact CD2-CB 4.02Å; L271-E346 HydrophobicContact CD2-CG 4.22Å; V274-E346 HydrophobicContact CG2-CG 4.35Å; S281-E346 WeakPolarHBondContact CB-OE2 3.49Å; S281-E346 PolarHBondContact OG-OE2 3.1Å; W283-E346 VanDerWaalsContact CD1-OE2 3.27Å; V342-E346 WeakPolarHBondContact O-CB 3.22Å; V342-E346 PolarHBondContact O-N 3Å; L343-E346 PolarHBondContact O-N 3.41Å; L344-E346 VanDerWaalsContact C-N 3.32Å; L344-E346 PolarHBondContact O-N 3.45Å; E346-I348 PolarHBondContact O-N 3.38Å; E346-I349 PolarHBondContact O-N 3.46Å; E346-Y350 HydrophobicContact CG-CD2 4.17Å; E346-Y350 HydrophobicContact CG-CE2 4.23Å; E346-Y350 VanDerWaalsContact O-CD2 3.27Å; E346-Y350 WeakPolarHBondContact O-CD2 3.44Å; E346-Y350 PolarHBondContact O-N 2.61Å; E346-Y350 VanDerWaalsContact O-N 3.09Å; E346-Y350 VanDerWaalsContact OE1-CE2 3.23Å; E346-Y350 WeakPolarHBondContact OE1-CE2 3.37Å
347A93.8Very high91.2Very high0 Ų025 Ų250%014%0.14CC..Hα-helixtrans-62.4-44.8178.500000111.9I261 V267 L271 L313 L343 L344 A351I261-A347 HydrophobicContact CD1-CB 4.19Å; I261-A347 HydrophobicContact CG2-CB 4.39Å; V267-A347 HydrophobicContact CG2-CB 4.43Å; L271-A347 HydrophobicContact CD1-CB 4.07Å; L271-A347 HydrophobicContact CD2-CB 4.2Å; L313-A347 HydrophobicContact CD1-CB 4.33Å; L313-A347 HydrophobicContact CD2-CB 3.96Å; L343-A347 WeakPolarHBondContact O-CB 3.35Å; L343-A347 PolarHBondContact O-N 3.24Å; L344-A347 PolarHBondContact O-N 3.24Å; A347-A351 VanDerWaalsContact O-CB 3.25Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 3.04Å
348I93.4Very high91.6Very high3 Ų325.3 Ų25.32%0.01514%0.142CC..Hα-helixtrans-65.8-45.2-179.9-66168.9000110.7I261 Y299 L300 L344 P345 E346 Y350 A351 I352 Y367I261-I348 HydrophobicContact CD1-CG1 4.44Å; Y299-I348 HydrophobicContact CD1-CD1 4.49Å; Y299-I348 HydrophobicContact CD1-CG2 3.65Å; Y299-I348 HydrophobicContact CE1-CG2 3.88Å; Y299-I348 HydrophobicContact CG-CG2 4.07Å; L300-I348 HydrophobicContact CD1-CD1 4.21Å; L300-I348 HydrophobicContact CG-CD1 4.17Å; L344-I348 HydrophobicContact CD1-CD1 3.89Å; L344-I348 HydrophobicContact CD1-CG1 4.38Å; L344-I348 HydrophobicContact CG-CD1 3.95Å; L344-I348 WeakPolarHBondContact O-CG1 3.48Å; L344-I348 PolarHBondContact O-N 3.2Å; P345-I348 PolarHBondContact O-N 3.33Å; E346-I348 PolarHBondContact O-N 3.38Å; I348-Y350 PolarHBondContact O-N 3.28Å; I348-A351 WeakPolarHBondContact O-CB 3.26Å; I348-A351 PolarHBondContact O-N 3.27Å; I348-I352 HydrophobicContact CG2-CD1 3.79Å; I348-I352 HydrophobicContact CG2-CG1 4.34Å; I348-I352 VanDerWaalsContact O-CG1 3.29Å; I348-I352 WeakPolarHBondContact O-CG1 3.27Å; I348-I352 PolarHBondContact O-N 3.16Å; I348-Y367 HydrophobicContact CB-CD2 4.23Å; I348-Y367 HydrophobicContact CB-CE2 4.22Å; I348-Y367 HydrophobicContact CD1-CE2 4.11Å; I348-Y367 HydrophobicContact CG2-CD2 3.67Å; I348-Y367 HydrophobicContact CG2-CE2 4.01Å
349I93.8Very high92.1Very high4 Ų428.6 Ų28.62%0.02117%0.166CC..Hα-helixtrans-61.7-45-179.9-70165.8000111W283 P345 E346 A351 I352 A353 V360 A363 E364 Y367W283-I349 HydrophobicContact CZ2-CD1 3.88Å; P345-I349 WeakPolarHBondContact O-CB 3.32Å; P345-I349 WeakPolarHBondContact O-CD1 3.47Å; P345-I349 WeakPolarHBondContact O-CG1 3.16Å; P345-I349 PolarHBondContact O-N 3.33Å; E346-I349 PolarHBondContact O-N 3.46Å; I349-A351 VanDerWaalsContact C-N 3.32Å; I349-A351 PolarHBondContact O-N 3.15Å; I349-I352 PolarHBondContact O-N 3.46Å; I349-A353 WeakPolarHBondContact O-CB 3.44Å; I349-A353 PolarHBondContact O-N 3.17Å; I349-V360 HydrophobicContact CG2-CG1 4.1Å; I349-A363 HydrophobicContact CG2-CB 4.01Å; I349-A363 WeakPolarHBondContact O-CB 3.25Å; I349-E364 HydrophobicContact CD1-CB 4.29Å; I349-E364 HydrophobicContact CD1-CG 4.42Å; I349-E364 HydrophobicContact CG2-CB 4.18Å; I349-Y367 HydrophobicContact CD1-CD1 3.98Å; I349-Y367 HydrophobicContact CD1-CG 4.18Å; I349-Y367 HydrophobicContact CG1-CD1 4.13Å; I349-Y367 HydrophobicContact CG1-CD2 4.37Å; I349-Y367 HydrophobicContact CG1-CG 3.8Å
350Y93.3Very high92.3Very high51 Ų5131.3 Ų31.320%0.218%0.182CC..Hα-helixtrans-70.7-30.3177.8-82.7-96.9000112.6R270 E346 I348 A353 G354 V360R270-Y350 HydrophobicContact CB-CD1 4.45Å; R270-Y350 HydrophobicContact CG-CD1 3.97Å; R270-Y350 HydrophobicContact CG-CD2 4.02Å; R270-Y350 HydrophobicContact CG-CE1 3.84Å; R270-Y350 HydrophobicContact CG-CE2 3.91Å; R270-Y350 HydrophobicContact CG-CG 4.08Å; R270-Y350 VanDerWaalsContact CZ-OH 3.27Å; R270-Y350 PolarHBondContact NE-OH 3.49Å; R270-Y350 PolarHBondContact NH2-OH 2.91Å; E346-Y350 HydrophobicContact CG-CD2 4.17Å; E346-Y350 HydrophobicContact CG-CE2 4.23Å; E346-Y350 VanDerWaalsContact O-CD2 3.27Å; E346-Y350 WeakPolarHBondContact O-CD2 3.44Å; E346-Y350 PolarHBondContact O-N 2.61Å; E346-Y350 VanDerWaalsContact O-N 3.09Å; E346-Y350 VanDerWaalsContact OE1-CE2 3.23Å; E346-Y350 WeakPolarHBondContact OE1-CE2 3.37Å; I348-Y350 PolarHBondContact O-N 3.28Å; Y350-A353 PolarHBondContact O-N 2.85Å; Y350-G354 PolarHBondContact O-N 3.46Å; Y350-V360 HydrophobicContact CE1-CG2 3.97Å; Y350-V360 HydrophobicContact CE2-CG1 4.09Å
351A94.4Very high92.6Very high0 Ų035.8 Ų35.80%020%0.199CC..Hα-helixtrans-66.2-43.1171.500000111.8L257 F260 I261 A347 I348 I349 A353 G354 V355L257-A351 HydrophobicContact CB-CB 4.27Å; L257-A351 HydrophobicContact CD2-CB 4.17Å; F260-A351 HydrophobicContact CD1-CB 3.91Å; I261-A351 HydrophobicContact CD1-CB 3.73Å; I261-A351 HydrophobicContact CG1-CB 3.55Å; A347-A351 VanDerWaalsContact O-CB 3.25Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 3.04Å; I348-A351 WeakPolarHBondContact O-CB 3.26Å; I348-A351 PolarHBondContact O-N 3.27Å; I349-A351 VanDerWaalsContact C-N 3.32Å; I349-A351 PolarHBondContact O-N 3.15Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 2.78Å; A351-G354 PolarHBondContact O-N 3.19Å; A351-V355 WeakPolarHBondContact O-CB 3.32Å; A351-V355 VanDerWaalsContact O-CG2 3.31Å; A351-V355 WeakPolarHBondContact O-CG2 3.42Å; A351-V355 PolarHBondContact O-N 2.91Å
352I93.8Very high93Very high1 Ų139.5 Ų39.51%0.00521%0.214CC..Hα-helixtrans-61.3-45.5174.2-67.3164.9000109.9L257 Y299 I348 I349 G354 D356 V358 A363 K366L257-I352 HydrophobicContact CD1-CG1 3.94Å; L257-I352 HydrophobicContact CD2-CG1 4.03Å; Y299-I352 HydrophobicContact CE1-CD1 4.23Å; Y299-I352 HydrophobicContact CE2-CD1 4.07Å; Y299-I352 WeakPolarHBondContact OH-CD1 3.27Å; I348-I352 HydrophobicContact CG2-CD1 3.79Å; I348-I352 HydrophobicContact CG2-CG1 4.34Å; I348-I352 VanDerWaalsContact O-CG1 3.29Å; I348-I352 WeakPolarHBondContact O-CG1 3.27Å; I348-I352 PolarHBondContact O-N 3.16Å; I349-I352 PolarHBondContact O-N 3.46Å; I352-G354 VanDerWaalsContact C-N 3.3Å; I352-G354 PolarHBondContact O-N 2.97Å; I352-D356 VanDerWaalsContact O-CB 3.27Å; I352-D356 WeakPolarHBondContact O-CB 3.47Å; I352-D356 PolarHBondContact O-N 3.46Å; I352-V358 HydrophobicContact CG2-CG2 4.37Å; I352-A363 HydrophobicContact CB-CB 3.96Å; I352-A363 HydrophobicContact CG2-CB 3.69Å; I352-K366 HydrophobicContact CG2-CB 4.44Å; I352-K366 HydrophobicContact CG2-CD 3.98Å
353A95.1Very high93.3Very high14 Ų1439.5 Ų39.512%0.11621%0.214CC..Hα-helixtrans-58.3-42.9177.500000112.1I349 Y350 A351 N357 V358 V360 A363I349-A353 WeakPolarHBondContact O-CB 3.44Å; I349-A353 PolarHBondContact O-N 3.17Å; Y350-A353 PolarHBondContact O-N 2.85Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 2.78Å; A353-N357 VanDerWaalsContact O-CA 3.25Å; A353-N357 WeakPolarHBondContact O-CA 3.42Å; A353-N357 PolarHBondContact O-N 3.39Å; A353-N357 VanDerWaalsContact O-N 3.13Å; A353-V358 PolarHBondContact O-N 2.9Å; A353-V358 VanDerWaalsContact O-N 3.1Å; A353-V360 HydrophobicContact CB-CG2 4.48Å; A353-A363 HydrophobicContact CB-CB 3.92Å
354G92.6Very high93.4Very high28 Ų2841.5 Ų41.529%0.28922%0.223SC..Hα-helixtrans-75.6-39.918000000114.7Y350 A351 I352Y350-G354 PolarHBondContact O-N 3.46Å; A351-G354 PolarHBondContact O-N 3.19Å; I352-G354 VanDerWaalsContact C-N 3.3Å; I352-G354 PolarHBondContact O-N 2.97Å
355V93.5Very high93.4Very high46 Ų4646.9 Ų46.928%0.27925%0.248SC..Hα-helixtrans-76.8-43.1-178.6172.40000111.3K256 L257 F260 A351 N357K256-V355 HydrophobicContact CB-CG1 4.44Å; L257-V355 HydrophobicContact CD2-CB 3.97Å; L257-V355 HydrophobicContact CD2-CG1 4.32Å; L257-V355 HydrophobicContact CD2-CG2 3.98Å; F260-V355 HydrophobicContact CB-CG2 3.77Å; F260-V355 HydrophobicContact CD1-CG2 4.49Å; F260-V355 HydrophobicContact CD2-CG2 3.74Å; F260-V355 HydrophobicContact CE2-CG2 4.46Å; F260-V355 HydrophobicContact CG-CG2 3.77Å; A351-V355 WeakPolarHBondContact O-CB 3.32Å; A351-V355 VanDerWaalsContact O-CG2 3.31Å; A351-V355 WeakPolarHBondContact O-CG2 3.42Å; A351-V355 PolarHBondContact O-N 2.91Å; V355-N357 VanDerWaalsContact C-N 3.33Å
356D91.3Very high93.3Very high73 Ų7350.6 Ų50.639%0.3926%0.264SS..THydrogen-bonded Turntrans-87.7-3.3-179-65.6-10.5000112.9I352 V358 K366I352-D356 VanDerWaalsContact O-CB 3.27Å; I352-D356 WeakPolarHBondContact O-CB 3.47Å; I352-D356 PolarHBondContact O-N 3.46Å; D356-V358 VanDerWaalsContact C-N 3.3Å; D356-V358 HydrophobicContact CB-CG1 4Å; D356-V358 HydrophobicContact CB-CG2 4.09Å; D356-V358 PolarHBondContact O-N 3.3Å; D356-K366 IonicContact OD2-NZ 2.83Å; D356-K366 PolarHBondContact OD2-NZ 3.35Å
357N92.8Very high93.2Very high144 Ų14450.5 Ų50.577%0.7726%0.263SS*.THydrogen-bonded Turntrans50.347.6-173.9-64.5-68.9000112.7A353 V355A353-N357 VanDerWaalsContact O-CA 3.25Å; A353-N357 WeakPolarHBondContact O-CA 3.42Å; A353-N357 PolarHBondContact O-N 3.39Å; A353-N357 VanDerWaalsContact O-N 3.13Å; V355-N357 VanDerWaalsContact C-N 3.33Å
358V94.9Very high93Very high32 Ų3254.6 Ų54.619%0.19428%0.284CS..  trans-113.5160.6-179.9-63.90000111.6I352 A353 D356 K362 A363I352-V358 HydrophobicContact CG2-CG2 4.37Å; A353-V358 PolarHBondContact O-N 2.9Å; A353-V358 VanDerWaalsContact O-N 3.1Å; D356-V358 VanDerWaalsContact C-N 3.3Å; D356-V358 HydrophobicContact CB-CG1 4Å; D356-V358 HydrophobicContact CB-CG2 4.09Å; D356-V358 PolarHBondContact O-N 3.3Å; V358-K362 HydrophobicContact CB-CB 4.31Å; V358-K362 HydrophobicContact CB-CD 4.16Å; V358-K362 HydrophobicContact CB-CG 4.42Å; V358-K362 HydrophobicContact CG1-CD 4.1Å; V358-A363 HydrophobicContact CG2-CB 3.99Å
359S95.9Very high92.7Very high77 Ų7762.1 Ų62.154%0.53832%0.317SS..  trans-62.6150.1173660000111.2K361 K362 A363S359-K361 PolarHBondContact O-N 2.79Å; S359-K362 PolarHBondContact O-N 3.16Å; S359-K362 WeakPolarHBondContact OG-CB 3.32Å; S359-K362 PolarHBondContact OG-N 2.81Å; S359-A363 PolarHBondContact O-N 2.92Å
360V92.9Very high92.4Very high56 Ų5663 Ų6334%0.33933%0.327SS..Hα-helixtrans-56-39.5180179.40000111.6I349 Y350 A353 K362 A363 E364I349-V360 HydrophobicContact CG2-CG1 4.1Å; Y350-V360 HydrophobicContact CE1-CG2 3.97Å; Y350-V360 HydrophobicContact CE2-CG1 4.09Å; A353-V360 HydrophobicContact CB-CG2 4.48Å; V360-K362 PolarHBondContact O-N 3.15Å; V360-A363 WeakPolarHBondContact O-CB 3.21Å; V360-A363 PolarHBondContact O-N 3.44Å; V360-E364 WeakPolarHBondContact O-CB 3.44Å; V360-E364 PolarHBondContact O-N 2.97Å
361K93.3Very high91.9Very high160 Ų16062.5 Ų62.570%0.69633%0.325SS*.Hα-helixtrans-60.5-43.1175.7-67-172.1177.8-176.30112.4S359 E364 E365S359-K361 PolarHBondContact O-N 2.79Å; K361-E364 WeakPolarHBondContact O-CB 3.46Å; K361-E364 PolarHBondContact O-N 2.95Å; K361-E365 WeakPolarHBondContact O-CG 3.5Å; K361-E365 PolarHBondContact O-N 3.43Å
362K93.5Very high91.1Very high110 Ų11067 Ų6748%0.47836%0.355SS..Hα-helixtrans-70.7-34.6178.1-170175-177.4179.70112V358 S359 V360 E364 K366V358-K362 HydrophobicContact CB-CB 4.31Å; V358-K362 HydrophobicContact CB-CD 4.16Å; V358-K362 HydrophobicContact CB-CG 4.42Å; V358-K362 HydrophobicContact CG1-CD 4.1Å; S359-K362 PolarHBondContact O-N 3.16Å; S359-K362 WeakPolarHBondContact OG-CB 3.32Å; S359-K362 PolarHBondContact OG-N 2.81Å; V360-K362 PolarHBondContact O-N 3.15Å; K362-E364 VanDerWaalsContact C-N 3.32Å; K362-K366 WeakPolarHBondContact O-CG 3.44Å; K362-K366 PolarHBondContact O-N 3Å; K362-K366 VanDerWaalsContact O-N 3.07Å
363A93.9Very high90.4Very high0 Ų072.8 Ų72.80%039%0.385CS..Hα-helixtrans-65-38.3173.500000112I349 I352 A353 V358 S359 V360 K366 Y367I349-A363 HydrophobicContact CG2-CB 4.01Å; I349-A363 WeakPolarHBondContact O-CB 3.25Å; I352-A363 HydrophobicContact CB-CB 3.96Å; I352-A363 HydrophobicContact CG2-CB 3.69Å; A353-A363 HydrophobicContact CB-CB 3.92Å; V358-A363 HydrophobicContact CG2-CB 3.99Å; S359-A363 PolarHBondContact O-N 2.92Å; V360-A363 WeakPolarHBondContact O-CB 3.21Å; V360-A363 PolarHBondContact O-N 3.44Å; A363-K366 WeakPolarHBondContact O-CB 3.48Å; A363-K366 PolarHBondContact O-N 3.34Å; A363-Y367 PolarHBondContact O-N 2.89Å
364E92.3Very high89.7Confident43 Ų4373 Ų7320%0.20139%0.386CS..Hα-helixtrans-66.7-42.8175.6170.7176.8-146.500112.7R282 I349 V360 K361 K362 K366 Y367 L368R282-E364 WeakPolarHBondContact CD-OE1 2.85Å; R282-E364 IonicContact CZ-OE1 2.84Å; R282-E364 IonicContact NE-OE1 3.36Å; R282-E364 PolarHBondContact NE-OE1 3.17Å; R282-E364 IonicContact NH1-OE1 3.07Å; R282-E364 PolarHBondContact NH1-OE1 3.36Å; I349-E364 HydrophobicContact CD1-CB 4.29Å; I349-E364 HydrophobicContact CD1-CG 4.42Å; I349-E364 HydrophobicContact CG2-CB 4.18Å; V360-E364 WeakPolarHBondContact O-CB 3.44Å; V360-E364 PolarHBondContact O-N 2.97Å; K361-E364 WeakPolarHBondContact O-CB 3.46Å; K361-E364 PolarHBondContact O-N 2.95Å; K362-E364 VanDerWaalsContact C-N 3.32Å; E364-K366 VanDerWaalsContact C-N 3.3Å; E364-K366 PolarHBondContact O-N 3.24Å; E364-Y367 WeakPolarHBondContact O-CB 3.27Å; E364-Y367 PolarHBondContact O-N 3.3Å; E364-L368 HydrophobicContact CG-CD1 4.39Å; E364-L368 WeakPolarHBondContact O-CG 3.3Å; E364-L368 PolarHBondContact O-N 2.98Å
365E92.1Very high89.1Confident131 Ų13177.9 Ų77.961%0.61241%0.405SS*.Hα-helixtrans-58.8-42.3171.1-72.9170-170.100111.7K361 L368 K369K361-E365 WeakPolarHBondContact O-CG 3.5Å; K361-E365 PolarHBondContact O-N 3.43Å; E365-L368 PolarHBondContact O-N 2.89Å; E365-K369 VanDerWaalsContact O-CB 3.25Å; E365-K369 WeakPolarHBondContact O-CB 3.44Å; E365-K369 PolarHBondContact O-N 3Å
366K91.1Very high88.5Confident80 Ų8079.7 Ų79.735%0.34841%0.407SS..Hα-helixtrans-62.2-43.3174.4-77.4-172.7177.9-167.80112.1I352 D356 K362 A363 E364 K369 G370I352-K366 HydrophobicContact CG2-CB 4.44Å; I352-K366 HydrophobicContact CG2-CD 3.98Å; D356-K366 IonicContact OD2-NZ 2.83Å; D356-K366 PolarHBondContact OD2-NZ 3.35Å; K362-K366 WeakPolarHBondContact O-CG 3.44Å; K362-K366 PolarHBondContact O-N 3Å; K362-K366 VanDerWaalsContact O-N 3.07Å; A363-K366 WeakPolarHBondContact O-CB 3.48Å; A363-K366 PolarHBondContact O-N 3.34Å; E364-K366 VanDerWaalsContact C-N 3.3Å; E364-K366 PolarHBondContact O-N 3.24Å; K366-K369 PolarHBondContact O-N 3.27Å; K366-G370 PolarHBondContact O-N 3.22Å
367Y90.5Very high87.9Confident7 Ų778.1 Ų78.13%0.02740%0.397CS..Hα-helixtrans-61.2-44.8177.4176.2-101.7000112.1W283 N297 Y299 P345 I348 I349 A363 E364 G370W283-Y367 HydrophobicContact CH2-CD1 4.16Å; W283-Y367 AromaticContact CH2-CE1 3.71Å; W283-Y367 HydrophobicContact CH2-CE1 3.71Å; W283-Y367 AromaticContact CZ2-CD1 3.88Å; W283-Y367 HydrophobicContact CZ2-CD1 3.88Å; W283-Y367 AromaticContact CZ2-CE1 3.72Å; W283-Y367 HydrophobicContact CZ2-CE1 3.72Å; N297-Y367 HydrophobicContact CB-CE1 4.17Å; N297-Y367 WeakPolarHBondContact ND2-CE1 3.14Å; N297-Y367 PolarHBondContact ND2-O 3.35Å; Y299-Y367 AromaticContact CD2-CD2 3.57Å; Y299-Y367 HydrophobicContact CD2-CD2 3.57Å; Y299-Y367 HydrophobicContact CD2-CE2 4.09Å; Y299-Y367 HydrophobicContact CD2-CG 4.39Å; Y299-Y367 HydrophobicContact CE2-CD2 4.24Å; Y299-Y367 AromaticContact CG-CD2 3.81Å; Y299-Y367 HydrophobicContact CG-CD2 3.81Å; Y299-Y367 AromaticContact CG-CE2 3.95Å; Y299-Y367 HydrophobicContact CG-CE2 3.95Å; P345-Y367 HydrophobicContact CB-CE1 3.86Å; I348-Y367 HydrophobicContact CB-CD2 4.23Å; I348-Y367 HydrophobicContact CB-CE2 4.22Å; I348-Y367 HydrophobicContact CD1-CE2 4.11Å; I348-Y367 HydrophobicContact CG2-CD2 3.67Å; I348-Y367 HydrophobicContact CG2-CE2 4.01Å; I349-Y367 HydrophobicContact CD1-CD1 3.98Å; I349-Y367 HydrophobicContact CD1-CG 4.18Å; I349-Y367 HydrophobicContact CG1-CD1 4.13Å; I349-Y367 HydrophobicContact CG1-CD2 4.37Å; I349-Y367 HydrophobicContact CG1-CG 3.8Å; A363-Y367 PolarHBondContact O-N 2.89Å; E364-Y367 WeakPolarHBondContact O-CB 3.27Å; E364-Y367 PolarHBondContact O-N 3.3Å; Y367-G370 PolarHBondContact O-N 3.37Å
368L89.1Confident87.6Confident87 Ų8779 Ų7946%0.45539%0.39SS..Hα-helixtrans-70.1-34.4178.4-69.5174.4000112.9W283 E364 E365 G370W283-L368 HydrophobicContact CH2-CD2 3.96Å; E364-L368 HydrophobicContact CG-CD1 4.39Å; E364-L368 WeakPolarHBondContact O-CG 3.3Å; E364-L368 PolarHBondContact O-N 2.98Å; E365-L368 PolarHBondContact O-N 2.89Å; L368-G370 VanDerWaalsContact C-N 3.31Å
369K87.8Confident87Confident161 Ų16183.1 Ų83.170%0.741%0.407SS*.Hα-helixtrans-67.5-34.1175.8-174.5175.6-179.7178.40111.9E365 K366E365-K369 VanDerWaalsContact O-CB 3.25Å; E365-K369 WeakPolarHBondContact O-CB 3.44Å; E365-K369 PolarHBondContact O-N 3Å; K366-K369 PolarHBondContact O-N 3.27Å
370G85.8Confident86.4Confident23 Ų2384 Ų8424%0.23740%0.403CS..  trans64.8-165.2-179.700000113.4K366 Y367 L368K366-G370 PolarHBondContact O-N 3.22Å; Y367-G370 PolarHBondContact O-N 3.37Å; L368-G370 VanDerWaalsContact C-N 3.31Å
371R83.2Confident85.9Confident39 Ų3987.3 Ų87.315%0.14741%0.413CS..PPolyproline II helixtrans-72.9140.7177-175.3-179.7169.5-123.6-11.7110.6T246 H247 E301 I373 E377T246-R371 PolarHBondContact OG1-NH2 3.31Å; H247-R371 PolarHBondContact CD2-NH1 3.42Å; E301-R371 IonicContact OE2-NH1 2.91Å; E301-R371 PolarHBondContact OE2-NH1 2.88Å; R371-I373 PolarHBondContact O-N 2.94Å; R371-E377 IonicContact CZ-OE1 3.96Å; R371-E377 IonicContact CZ-OE2 2.68Å; R371-E377 IonicContact NH1-OE1 3.91Å; R371-E377 PolarHBondContact NH1-OE1 3.21Å; R371-E377 IonicContact NH1-OE2 3.13Å; R371-E377 PolarHBondContact NH1-OE2 3.19Å; R371-E377 IonicContact NH2-OE1 3.8Å; R371-E377 PolarHBondContact NH2-OE1 2.81Å; R371-E377 IonicContact NH2-OE2 2.53Å; R371-E377 PolarHBondContact NH2-OE2 3.15Å
372C77.8Confident85.6Confident94 Ų9483.2 Ų83.264%0.63540%0.399SS*.PPolyproline II helixtrans-78.9119.7167.4-640000109.3
373I79.8Confident85.3Confident123 Ų12382.5 Ų82.563%0.63140%0.399SS*.PPolyproline II helixtrans-66.9133.7176.7-58.5172.8000109.1R371 E377R371-I373 PolarHBondContact O-N 2.94Å; I373-E377 HydrophobicContact CG2-CB 3.73Å
374S80.7Confident84.9Confident19 Ų1987.5 Ų87.513%0.13342%0.424CS..PPolyproline II helixtrans-71.7152.6179.1930000110.8D244 R376 E377 R378D244-S374 WeakPolarHBondContact OD2-CB 3.49Å; D244-S374 PolarHBondContact OD2-OG 3.28Å; S374-R376 PolarHBondContact O-N 3.44Å; S374-R376 VanDerWaalsContact O-N 3.14Å; S374-R376 PolarHBondContact OG-N 3.37Å; S374-E377 PolarHBondContact N-OE2 3.11Å; S374-E377 PolarHBondContact O-N 2.94Å; S374-E377 WeakPolarHBondContact OG-CG 3.43Å; S374-E377 PolarHBondContact OG-N 3.26Å; S374-R378 WeakPolarHBondContact O-CB 3.38Å; S374-R378 PolarHBondContact O-N 3.48Å
375N79.1Confident84.6Confident131 Ų13188.1 Ų88.170%0.70143%0.428SS*.Hα-helixtrans-57.8-28.9174.4-73.2-18.8000111.8Q379N375-Q379 VanDerWaalsContact O-CG 3.27Å; N375-Q379 WeakPolarHBondContact O-CG 3.16Å; N375-Q379 PolarHBondContact O-N 3.01Å; N375-Q379 VanDerWaalsContact O-N 3.07Å
376R80.5Confident84.3Confident84 Ų8487.5 Ų87.532%0.31743%0.425SS..Hα-helixtrans-73-49.6178179179.6173.3133.110.5111.8L241 L242 S374 R378 Q379 E380L241-R376 VanDerWaalsContact CB-NH1 3.34Å; L242-R376 PolarHBondContact O-NH1 2.71Å; S374-R376 PolarHBondContact O-N 3.44Å; S374-R376 VanDerWaalsContact O-N 3.14Å; S374-R376 PolarHBondContact OG-N 3.37Å; R376-R378 PolarHBondContact O-N 3.42Å; R376-Q379 WeakPolarHBondContact O-CB 3.48Å; R376-Q379 PolarHBondContact O-N 3.37Å; R376-E380 HydrophobicContact CG-CG 4.48Å; R376-E380 IonicContact CZ-OE1 3.23Å; R376-E380 IonicContact NE-OE1 3.79Å; R376-E380 PolarHBondContact NE-OE1 3.34Å; R376-E380 IonicContact NH2-OE1 3.6Å; R376-E380 PolarHBondContact NH2-OE1 3.06Å; R376-E380 PolarHBondContact O-N 2.94Å
377E80.2Confident84Confident39 Ų3992.2 Ų92.218%0.18244%0.441CS..Hα-helixtrans-56.8-38.3175.4-73.7169.4153.200110.9R371 I373 S374 E380 F381R371-E377 IonicContact CZ-OE1 3.96Å; R371-E377 IonicContact CZ-OE2 2.68Å; R371-E377 IonicContact NH1-OE1 3.91Å; R371-E377 PolarHBondContact NH1-OE1 3.21Å; R371-E377 IonicContact NH1-OE2 3.13Å; R371-E377 PolarHBondContact NH1-OE2 3.19Å; R371-E377 IonicContact NH2-OE1 3.8Å; R371-E377 PolarHBondContact NH2-OE1 2.81Å; R371-E377 IonicContact NH2-OE2 2.53Å; R371-E377 PolarHBondContact NH2-OE2 3.15Å; I373-E377 HydrophobicContact CG2-CB 3.73Å; S374-E377 PolarHBondContact N-OE2 3.11Å; S374-E377 PolarHBondContact O-N 2.94Å; S374-E377 WeakPolarHBondContact OG-CG 3.43Å; S374-E377 PolarHBondContact OG-N 3.26Å; E377-E380 PolarHBondContact O-N 3.05Å; E377-F381 WeakPolarHBondContact O-CB 3.43Å; E377-F381 PolarHBondContact O-N 3.46Å
378R85.3Confident83.8Confident164 Ų16495.3 Ų95.362%0.61946%0.456SS*.Hα-helixtrans-61.2-48173.8-171.5176-170.9146.27.4112.1S374 R376 F381 D382S374-R378 WeakPolarHBondContact O-CB 3.38Å; S374-R378 PolarHBondContact O-N 3.48Å; R376-R378 PolarHBondContact O-N 3.42Å; R378-F381 PolarHBondContact O-N 3.4Å; R378-D382 WeakPolarHBondContact O-CB 3.26Å; R378-D382 PolarHBondContact O-N 3.22Å
379Q82.9Confident83.5Confident117 Ų11797.1 Ų97.155%0.54746%0.463SS..Hα-helixtrans-62.4-42.6176.4-73.7168.2-6.300112.3N375 R376 F381 D382 L383N375-Q379 VanDerWaalsContact O-CG 3.27Å; N375-Q379 WeakPolarHBondContact O-CG 3.16Å; N375-Q379 PolarHBondContact O-N 3.01Å; N375-Q379 VanDerWaalsContact O-N 3.07Å; R376-Q379 WeakPolarHBondContact O-CB 3.48Å; R376-Q379 PolarHBondContact O-N 3.37Å; Q379-F381 VanDerWaalsContact C-N 3.3Å; Q379-F381 PolarHBondContact O-N 3.26Å; Q379-D382 PolarHBondContact O-N 3.36Å; Q379-L383 WeakPolarHBondContact O-CB 3.5Å; Q379-L383 VanDerWaalsContact O-CG 3.25Å; Q379-L383 WeakPolarHBondContact O-CG 3.47Å; Q379-L383 PolarHBondContact O-N 3.02Å
380E82.9Confident83.2Confident97 Ų9796.9 Ų96.945%0.45346%0.458SS..Hα-helixtrans-62.3-39.7177.3-72.6177.6-177.300111.2R376 E377 M384R376-E380 HydrophobicContact CG-CG 4.48Å; R376-E380 IonicContact CZ-OE1 3.23Å; R376-E380 IonicContact NE-OE1 3.79Å; R376-E380 PolarHBondContact NE-OE1 3.34Å; R376-E380 IonicContact NH2-OE1 3.6Å; R376-E380 PolarHBondContact NH2-OE1 3.06Å; R376-E380 PolarHBondContact O-N 2.94Å; E377-E380 PolarHBondContact O-N 3.05Å; E380-M384 WeakPolarHBondContact O-CB 3.32Å; E380-M384 PolarHBondContact O-N 3Å
381F82.5Confident82.8Confident124 Ų124102.5 Ų102.554%0.54447%0.472SS..Hα-helixtrans-66.4-47.6173.7-171.8-96.5000112.1E377 R378 Q379 L383 M384 I385E377-F381 WeakPolarHBondContact O-CB 3.43Å; E377-F381 PolarHBondContact O-N 3.46Å; R378-F381 PolarHBondContact O-N 3.4Å; Q379-F381 VanDerWaalsContact C-N 3.3Å; Q379-F381 PolarHBondContact O-N 3.26Å; F381-L383 VanDerWaalsContact C-N 3.32Å; F381-L383 PolarHBondContact O-N 2.84Å; F381-M384 WeakPolarHBondContact O-CA 3.35Å; F381-M384 WeakPolarHBondContact O-CB 3.46Å; F381-M384 PolarHBondContact O-N 3.09Å; F381-I385 HydrophobicContact CD1-CG1 3.9Å; F381-I385 HydrophobicContact CE1-CD1 3.9Å; F381-I385 HydrophobicContact CE1-CG1 3.58Å; F381-I385 HydrophobicContact CZ-CD1 3.86Å; F381-I385 HydrophobicContact CZ-CG1 4.02Å; F381-I385 WeakPolarHBondContact O-CG1 3.35Å; F381-I385 PolarHBondContact O-N 3.48Å
382D87.1Confident82.6Confident75 Ų75107 Ų10740%0.40149%0.493SS..Hα-helixtrans-58.7-45178.6-68.6-21.8000110.5R378 Q379 M384 I385 E386R378-D382 WeakPolarHBondContact O-CB 3.26Å; R378-D382 PolarHBondContact O-N 3.22Å; Q379-D382 PolarHBondContact O-N 3.36Å; D382-M384 VanDerWaalsContact C-N 3.34Å; D382-M384 PolarHBondContact O-N 3.19Å; D382-I385 WeakPolarHBondContact O-CB 3.23Å; D382-I385 PolarHBondContact O-N 3.43Å; D382-E386 WeakPolarHBondContact O-CG 3.39Å; D382-E386 PolarHBondContact O-N 3.14Å
383L86.6Confident82.4Confident95 Ų95104.7 Ų104.750%0.49748%0.478SS..Hα-helixtrans-61.4-38.6173.6-73.4170.7000112.7Q379 F381 R387Q379-L383 WeakPolarHBondContact O-CB 3.5Å; Q379-L383 VanDerWaalsContact O-CG 3.25Å; Q379-L383 WeakPolarHBondContact O-CG 3.47Å; Q379-L383 PolarHBondContact O-N 3.02Å; F381-L383 VanDerWaalsContact C-N 3.32Å; F381-L383 PolarHBondContact O-N 2.84Å; L383-R387 WeakPolarHBondContact O-CB 3.41Å; L383-R387 WeakPolarHBondContact O-CG 3.46Å; L383-R387 PolarHBondContact O-N 3.25Å
384M85.4Confident81.9Confident104 Ų104103.6 Ų103.651%0.51247%0.47SS..Hα-helixtrans-64.8-41.9175.4178.2176.4165.500111.2E380 F381 D382 R387 Q388E380-M384 WeakPolarHBondContact O-CB 3.32Å; E380-M384 PolarHBondContact O-N 3Å; F381-M384 WeakPolarHBondContact O-CA 3.35Å; F381-M384 WeakPolarHBondContact O-CB 3.46Å; F381-M384 PolarHBondContact O-N 3.09Å; D382-M384 VanDerWaalsContact C-N 3.34Å; D382-M384 PolarHBondContact O-N 3.19Å; M384-R387 PolarHBondContact O-N 3.48Å; M384-Q388 WeakPolarHBondContact O-CG 3.24Å; M384-Q388 PolarHBondContact O-N 2.89Å
385I86.4Confident81.2Confident56 Ų56108.6 Ų108.629%0.28749%0.494SS..Hα-helixtrans-63.4-47.4175.9-66.3-63.7000110.3F381 D382 R387 Q388 M389F381-I385 HydrophobicContact CD1-CG1 3.9Å; F381-I385 HydrophobicContact CE1-CD1 3.9Å; F381-I385 HydrophobicContact CE1-CG1 3.58Å; F381-I385 HydrophobicContact CZ-CD1 3.86Å; F381-I385 HydrophobicContact CZ-CG1 4.02Å; F381-I385 WeakPolarHBondContact O-CG1 3.35Å; F381-I385 PolarHBondContact O-N 3.48Å; D382-I385 WeakPolarHBondContact O-CB 3.23Å; D382-I385 PolarHBondContact O-N 3.43Å; I385-R387 VanDerWaalsContact C-N 3.34Å; I385-R387 PolarHBondContact O-N 2.92Å; I385-Q388 CarbonylContact O-C 3.58Å; I385-Q388 WeakPolarHBondContact O-CB 3.49Å; I385-Q388 PolarHBondContact O-N 3.47Å; I385-M389 HydrophobicContact CG2-CE 3.92Å; I385-M389 HydrophobicContact CG2-CG 4.26Å; I385-M389 HydrophobicContact CG2-SD 4.05Å; I385-M389 WeakPolarHBondContact O-CG 3.09Å; I385-M389 PolarHBondContact O-N 3.33Å
386E86Confident80.3Confident118 Ų118108.9 Ų108.955%0.55149%0.491SS*.Hα-helixtrans-56.5-46.6176-74.3173.6-176.500111.6D382 Q388 M389 W390D382-E386 WeakPolarHBondContact O-CG 3.39Å; D382-E386 PolarHBondContact O-N 3.14Å; E386-Q388 VanDerWaalsContact C-N 3.28Å; E386-Q388 PolarHBondContact O-N 3.33Å; E386-M389 PolarHBondContact O-N 3.39Å; E386-W390 WeakPolarHBondContact O-CB 3.3Å; E386-W390 PolarHBondContact O-N 2.91Å
387R85.4Confident79.1Confident179 Ų179109.4 Ų109.468%0.67550%0.501SS*.Hα-helixtrans-61.4-34.8175.1-76.9179.8-176.7-174.22.2113.2L383 M384 I385 R391L383-R387 WeakPolarHBondContact O-CB 3.41Å; L383-R387 WeakPolarHBondContact O-CG 3.46Å; L383-R387 PolarHBondContact O-N 3.25Å; M384-R387 PolarHBondContact O-N 3.48Å; I385-R387 VanDerWaalsContact C-N 3.34Å; I385-R387 PolarHBondContact O-N 2.92Å; R387-R391 PolarHBondContact O-N 3.06Å; R387-R391 PolarHBondContact O-NE 3.29Å
388Q85.6Confident78Confident73 Ų73110.8 Ų110.834%0.34151%0.512SS..Hα-helixtrans-72.7-42.4175.2-76.2-161.7-2.400111.7M384 I385 E386 W390 R391 K392M384-Q388 WeakPolarHBondContact O-CG 3.24Å; M384-Q388 PolarHBondContact O-N 2.89Å; I385-Q388 CarbonylContact O-C 3.58Å; I385-Q388 WeakPolarHBondContact O-CB 3.49Å; I385-Q388 PolarHBondContact O-N 3.47Å; E386-Q388 VanDerWaalsContact C-N 3.28Å; E386-Q388 PolarHBondContact O-N 3.33Å; Q388-W390 VanDerWaalsContact C-N 3.35Å; Q388-R391 PolarHBondContact O-N 2.81Å; Q388-K392 WeakPolarHBondContact O-CG 3.26Å; Q388-K392 PolarHBondContact O-N 3.49Å
389M82.9Confident76.3Confident124 Ų124104.4 Ų104.461%0.61150%0.497SS*.Hα-helixtrans-60.6-46176-73.4-175.3164.900110.9I385 E386 R391 K392 S393I385-M389 HydrophobicContact CG2-CE 3.92Å; I385-M389 HydrophobicContact CG2-CG 4.26Å; I385-M389 HydrophobicContact CG2-SD 4.05Å; I385-M389 WeakPolarHBondContact O-CG 3.09Å; I385-M389 PolarHBondContact O-N 3.33Å; E386-M389 PolarHBondContact O-N 3.39Å; M389-R391 PolarHBondContact O-N 3.24Å; M389-K392 PolarHBondContact O-N 2.83Å; M389-K392 VanDerWaalsContact O-N 3.16Å; M389-S393 PolarHBondContact O-N 3.37Å; M389-S393 PolarHBondContact O-OG 3.48Å
390W80.6Confident74.8Confident156 Ų156104.6 Ų104.659%0.59150%0.501SS*.Hα-helixtrans-60.4-43.2176.5-176.281.7000112.7E386 Q388 K392 S393 Q394E386-W390 WeakPolarHBondContact O-CB 3.3Å; E386-W390 PolarHBondContact O-N 2.91Å; Q388-W390 VanDerWaalsContact C-N 3.35Å; W390-K392 PolarHBondContact O-N 3.19Å; W390-S393 WeakPolarHBondContact CA-OG 3.32Å; W390-S393 PolarHBondContact O-N 3.33Å; W390-S393 PolarHBondContact O-OG 3.35Å; W390-Q394 HydrophobicContact CD2-CG 4.25Å; W390-Q394 HydrophobicContact CH2-CG 4.43Å; W390-Q394 HydrophobicContact CZ2-CG 4.17Å; W390-Q394 WeakPolarHBondContact O-CB 3.31Å; W390-Q394 VanDerWaalsContact O-CG 3.26Å; W390-Q394 WeakPolarHBondContact O-CG 3.39Å; W390-Q394 PolarHBondContact O-N 3.26Å
391R78.8Confident73.1Confident141 Ų141105.8 Ų105.853%0.53251%0.507SS..Hα-helixtrans-62.9-41.9173.7-87.5-175-73.2175.8-4.9112.3R387 Q388 M389 Q394 L395R387-R391 PolarHBondContact O-N 3.06Å; R387-R391 PolarHBondContact O-NE 3.29Å; Q388-R391 PolarHBondContact O-N 2.81Å; M389-R391 PolarHBondContact O-N 3.24Å; R391-Q394 PolarHBondContact O-N 3.44Å; R391-L395 WeakPolarHBondContact O-CD1 3.31Å; R391-L395 PolarHBondContact O-N 3.36Å; R391-L395 VanDerWaalsContact O-N 3.08Å
392K78Confident71.5Confident134 Ų134106.1 Ų106.158%0.58351%0.514SS*.Hα-helixtrans-66-39.3178.5-73.4-177.9-178-176.90112.2Q388 M389 W390 L395 Q396Q388-K392 WeakPolarHBondContact O-CG 3.26Å; Q388-K392 PolarHBondContact O-N 3.49Å; M389-K392 PolarHBondContact O-N 2.83Å; M389-K392 VanDerWaalsContact O-N 3.16Å; W390-K392 PolarHBondContact O-N 3.19Å; K392-L395 PolarHBondContact O-N 2.81Å; K392-Q396 WeakPolarHBondContact O-CG 3.37Å; K392-Q396 PolarHBondContact O-N 2.82Å
393S72.7Confident69.8Low46 Ų46110.8 Ų110.832%0.32253%0.53SS..Hα-helixtrans-68.3-38.1175.958.40000112.1M389 W390 L395 Q396 N397M389-S393 PolarHBondContact O-N 3.37Å; M389-S393 PolarHBondContact O-OG 3.48Å; W390-S393 WeakPolarHBondContact CA-OG 3.32Å; W390-S393 PolarHBondContact O-N 3.33Å; W390-S393 PolarHBondContact O-OG 3.35Å; S393-L395 PolarHBondContact O-N 3.15Å; S393-Q396 PolarHBondContact O-N 3.44Å; S393-N397 WeakPolarHBondContact O-CB 3.36Å; S393-N397 PolarHBondContact O-N 3.05Å; S393-N397 PolarHBondContact O-ND2 3.07Å
394Q70.2Confident68Low99 Ų99109.9 Ų109.946%0.46353%0.532SS..Hα-helixtrans-61.5-42.4174-73.8-117.8-22.500112.2W390 R391 N397 T398W390-Q394 HydrophobicContact CD2-CG 4.25Å; W390-Q394 HydrophobicContact CH2-CG 4.43Å; W390-Q394 HydrophobicContact CZ2-CG 4.17Å; W390-Q394 WeakPolarHBondContact O-CB 3.31Å; W390-Q394 VanDerWaalsContact O-CG 3.26Å; W390-Q394 WeakPolarHBondContact O-CG 3.39Å; W390-Q394 PolarHBondContact O-N 3.26Å; R391-Q394 PolarHBondContact O-N 3.44Å; Q394-N397 PolarHBondContact O-N 3.04Å; Q394-T398 PolarHBondContact O-N 3.26Å; Q394-T398 PolarHBondContact O-OG1 2.92Å
395L66.9Low66.2Low125 Ų125111.5 Ų111.565%0.65454%0.543SS*.Hα-helixtrans-65.1-34.9174.9-84.3151000113R391 K392 S393 T398 G399R391-L395 WeakPolarHBondContact O-CD1 3.31Å; R391-L395 PolarHBondContact O-N 3.36Å; R391-L395 VanDerWaalsContact O-N 3.08Å; K392-L395 PolarHBondContact O-N 2.81Å; S393-L395 PolarHBondContact O-N 3.15Å; L395-T398 WeakPolarHBondContact CA-OG1 3.3Å; L395-T398 PolarHBondContact O-OG1 3.25Å; L395-G399 PolarHBondContact O-N 3.01Å; L395-G399 VanDerWaalsContact O-N 3.1Å
396Q59Low64.4Low136 Ų136113.6 Ų113.664%0.63656%0.563SS**Hα-helixtrans-71.9-37174.9-74.2177.3-7.500112.2K392 S393 G399 L400K392-Q396 WeakPolarHBondContact O-CG 3.37Å; K392-Q396 PolarHBondContact O-N 2.82Å; S393-Q396 PolarHBondContact O-N 3.44Å; Q396-G399 PolarHBondContact O-N 2.96Å; Q396-L400 PolarHBondContact O-N 3.3Å
397N56.6Low62.6Low96 Ų96115.1 Ų115.151%0.51357%0.573SS.*Hα-helixtrans-70.7-41.2177.4-67.7-14.3000112S393 Q394 G399 L400 E401S393-N397 WeakPolarHBondContact O-CB 3.36Å; S393-N397 PolarHBondContact O-N 3.05Å; S393-N397 PolarHBondContact O-ND2 3.07Å; Q394-N397 PolarHBondContact O-N 3.04Å; N397-G399 VanDerWaalsContact C-N 3.32Å; N397-G399 PolarHBondContact O-N 3.29Å; N397-L400 PolarHBondContact O-N 2.94Å; N397-E401 PolarHBondContact O-N 3.01Å; N397-E401 VanDerWaalsContact O-N 3.1Å
398T56.5Low60.3Low68 Ų68116 Ų11642%0.41761%0.606SS.*Hα-helixtrans-68.7-30.1174.131.60000112.9Q394 L395 L400 L402Q394-T398 PolarHBondContact O-N 3.26Å; Q394-T398 PolarHBondContact O-OG1 2.92Å; L395-T398 WeakPolarHBondContact CA-OG1 3.3Å; L395-T398 PolarHBondContact O-OG1 3.25Å; T398-L400 VanDerWaalsContact C-N 3.32Å; T398-L402 WeakPolarHBondContact O-CG 3.46Å; T398-L402 PolarHBondContact O-N 3.29Å
399G49.4Very low59.1Low30 Ų30118.2 Ų118.231%0.30962%0.62SS.*Hα-helixtrans-64.7-34.2170.900000113.1L395 Q396 N397 F403L395-G399 PolarHBondContact O-N 3.01Å; L395-G399 VanDerWaalsContact O-N 3.1Å; Q396-G399 PolarHBondContact O-N 2.96Å; N397-G399 VanDerWaalsContact C-N 3.32Å; N397-G399 PolarHBondContact O-N 3.29Å; G399-F403 WeakPolarHBondContact O-CD2 3.49Å
400L50.8Low57.8Low121 Ų121117.8 Ų117.863%0.63462%0.62SS**Hα-helixtrans-77.7-35.5177.7-77163.1000112.8Q396 N397 T398 L402 F403 S404Q396-L400 PolarHBondContact O-N 3.3Å; N397-L400 PolarHBondContact O-N 2.94Å; T398-L400 VanDerWaalsContact C-N 3.32Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.01Å; L400-F403 PolarHBondContact O-N 3.02Å; L400-S404 PolarHBondContact O-N 3.01Å; L400-S404 PolarHBondContact O-OG 3.13Å
401E47.8Very low56.5Low122 Ų122115.7 Ų115.757%0.5762%0.622SS**Hα-helixtrans-64.6-34.3176.5-75.6180166.700112.7N397 F403 S404N397-E401 PolarHBondContact O-N 3.01Å; N397-E401 VanDerWaalsContact O-N 3.1Å; E401-F403 PolarHBondContact O-N 3.01Å; E401-S404 WeakPolarHBondContact CA-OG 3.26Å; E401-S404 PolarHBondContact O-N 3.11Å; E401-S404 PolarHBondContact O-OG 3.43Å
402L49.5Very low55.2Low131 Ų131114.2 Ų114.269%0.68663%0.627SS**Hα-helixtrans-70.2-17.5177.1-72.7168.7000114T398 L400T398-L402 WeakPolarHBondContact O-CG 3.46Å; T398-L402 PolarHBondContact O-N 3.29Å; L400-L402 VanDerWaalsContact C-N 3.32Å; L400-L402 PolarHBondContact O-N 3.01Å
403F49.8Very low53.8Low172 Ų172113 Ų11375%0.75463%0.63SS**Hα-helixtrans-95-16.3174.5-72.7-70.3000113.4G399 L400 E401G399-F403 WeakPolarHBondContact O-CD2 3.49Å; L400-F403 PolarHBondContact O-N 3.02Å; E401-F403 PolarHBondContact O-N 3.01Å
404S48.9Very low52.5Low76 Ų76117.5 Ų117.553%0.53165%0.65SS.*Hα-helixtrans-83.2-22.2176.346.10000113.8L400 E401 S406L400-S404 PolarHBondContact O-N 3.01Å; L400-S404 PolarHBondContact O-OG 3.13Å; E401-S404 WeakPolarHBondContact CA-OG 3.26Å; E401-S404 PolarHBondContact O-N 3.11Å; E401-S404 PolarHBondContact O-OG 3.43Å; S404-S406 VanDerWaalsContact C-N 3.33Å; S404-S406 PolarHBondContact O-N 2.65Å
405D48.6Very low51.3Low139 Ų139118.8 Ų118.874%0.74366%0.664SS**THydrogen-bonded Turntrans-86.64.3-175.3-74.4-3.8000114.6
406S47.5Very low50.1Low100 Ų100118.3 Ų118.370%0.69967%0.665SS**THydrogen-bonded Turntrans-99.812.9-179.7-58.80000114.7S404S404-S406 VanDerWaalsContact C-N 3.33Å; S404-S406 PolarHBondContact O-N 2.65Å
407I48.8Very low49.3Very low150 Ų150116.8 Ų116.877%0.76967%0.667SS**  trans-128.984.6174.2-50.6176.7000108.9
408S37.8Very low48.7Very low197 Ų197118.7 Ų118.7100%1.37868%0.681SS**  trans-151.80156.3-78.60000109.9

Retrieved 408 of 408 residues in 85.5 ms (Link to these results)