A0A087XI38_POEFO Loading...

Probable proton-coupled zinc antiporter SLC30A4

Probable proton-coupled zinc ion antiporter mediating zinc import from cytoplasm potentially into the endocytic compartment. Controls zinc deposition in milk.

AlphaFold DB , UniProt , Accession A0A087XI38, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 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
1M48Very low45Very low249 Ų249137.5 Ų137.5100%1.22775%0.753SS**  090.20-68.416373.200110
2S46.3Very low44.2Very low125 Ų125132.1 Ų132.187%0.87473%0.732SS**  trans179.375.7159.1-167.50000109.2
3G40.4Very low44Very low61 Ų61127.8 Ų127.863%0.62973%0.725SS**  trans-132.3-19.5178.700000114.5K5G3-K5 PolarHBondContact O-N 2.98Å
4G44Very low43.9Very low70 Ų70132.4 Ų132.472%0.72273%0.733SS**Hα-helixtrans-81.6-9.1-17300000116.4
5K44.6Very low43.8Very low188 Ų188138.7 Ų138.782%0.81774%0.741SS**Hα-helixtrans-89.7-17.6-173.7-76.3-176.2179.1178.40114.9G3G3-K5 PolarHBondContact O-N 2.98Å
6L45.2Very low43.4Very low136 Ų136143.1 Ų143.171%0.71274%0.744SS**Hα-helixtrans-81.4-44.7178.7-86.7157.5000112G8 K9 V10L6-G8 VanDerWaalsContact C-N 3.31Å; L6-G8 PolarHBondContact O-N 3.23Å; L6-K9 PolarHBondContact O-N 3.13Å; L6-K9 VanDerWaalsContact O-N 3.14Å; L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 3.27Å
7F47Very low43Very low177 Ų177142.9 Ų142.978%0.77674%0.744SS**Hα-helixtrans-65.5-30.5179.1-100.7-88.2000113.7R11F7-R11 WeakPolarHBondContact O-CB 3.26Å; F7-R11 PolarHBondContact O-N 2.91Å
8G41.5Very low42.8Very low48 Ų48148.5 Ų148.550%0.49575%0.754SS.*Hα-helixtrans-70.2-31.7173.600000113.7L6 S12L6-G8 VanDerWaalsContact C-N 3.31Å; L6-G8 PolarHBondContact O-N 3.23Å; G8-S12 VanDerWaalsContact O-CB 3.29Å; G8-S12 WeakPolarHBondContact O-CB 3.34Å; G8-S12 PolarHBondContact O-N 2.91Å; G8-S12 VanDerWaalsContact O-N 3.12Å
9K43.7Very low42.4Very low163 Ų163146.3 Ų146.371%0.70975%0.749SS**Hα-helixtrans-77.2-36.6179.9-122172.7178.4174.40112.1L6 S12 A13L6-K9 PolarHBondContact O-N 3.13Å; L6-K9 VanDerWaalsContact O-N 3.14Å; K9-S12 PolarHBondContact O-N 2.79Å; K9-A13 PolarHBondContact O-N 2.78Å
10V47.8Very low41.9Very low89 Ų89145.6 Ų145.654%0.53975%0.747SS.*Hα-helixtrans-69.5-38.1175-179.10000111.3L6 S12 A13 F14L6-V10 WeakPolarHBondContact O-CG2 3.46Å; L6-V10 PolarHBondContact O-N 3.27Å; V10-S12 VanDerWaalsContact C-N 3.32Å; V10-S12 PolarHBondContact O-N 3.2Å; V10-A13 PolarHBondContact O-N 2.76Å; V10-F14 PolarHBondContact O-N 3.46Å
11R46.4Very low41.5Very low207 Ų207150.3 Ų150.378%0.78176%0.755SS**Hα-helixtrans-73.2-23.7176.4-155.3174.1178-175.5-0.6113.2F7F7-R11 WeakPolarHBondContact O-CB 3.26Å; F7-R11 PolarHBondContact O-N 2.91Å
12S36Very low40.6Very low72 Ų72144.4 Ų144.450%0.50373%0.729SS.*Hα-helixtrans-77.3-40.5173.1174.80000112.3G8 K9 V10 F14 R15 R16G8-S12 VanDerWaalsContact O-CB 3.29Å; G8-S12 WeakPolarHBondContact O-CB 3.34Å; G8-S12 PolarHBondContact O-N 2.91Å; G8-S12 VanDerWaalsContact O-N 3.12Å; K9-S12 PolarHBondContact O-N 2.79Å; V10-S12 VanDerWaalsContact C-N 3.32Å; V10-S12 PolarHBondContact O-N 3.2Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 2.68Å; S12-R15 PolarHBondContact O-N 3.43Å; S12-R15 VanDerWaalsContact O-N 3.09Å; S12-R16 PolarHBondContact O-N 3.49Å
13A41.5Very low40Very low77 Ų77144.6 Ų144.664%0.63672%0.719SS**Hα-helixtrans-63.6-31.2174.300000112.6K9 V10 R15K9-A13 PolarHBondContact O-N 2.78Å; V10-A13 PolarHBondContact O-N 2.76Å; A13-R15 VanDerWaalsContact C-N 3.31Å; A13-R15 PolarHBondContact O-N 2.88Å
14F43Very low39.7Very low191 Ų191145.6 Ų145.684%0.83872%0.717SS**THydrogen-bonded Turntrans-80.5-4.3174.6-107.2-86.4000115V10 S12V10-F14 PolarHBondContact O-N 3.46Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 2.68Å
15R41.6Very low39Very low228 Ų228147.4 Ų147.486%0.8671%0.71SS**THydrogen-bonded Turntrans-112.5-1.1-177.1-134.5179.9-166-162.12.9114.1S12 A13S12-R15 PolarHBondContact O-N 3.43Å; S12-R15 VanDerWaalsContact O-N 3.09Å; A13-R15 VanDerWaalsContact C-N 3.31Å; A13-R15 PolarHBondContact O-N 2.88Å
16R37.9Very low38.8Very low208 Ų208143.3 Ų143.379%0.78571%0.705SS**SBendtrans-132.569.6-175.9-159.6171.4-179.7141.6-1.1111.1S12S12-R16 PolarHBondContact O-N 3.49Å
17D35.9Very low38.3Very low140 Ų140140.6 Ų140.675%0.74970%0.702SS**  -172.894.8127.6-96.1-21000108.5
18R40.2Very low37.7Very low244 Ų244137.7 Ų137.792%0.92170%0.701SS**  trans-121.754.4171.9-161.1169.593.7167.95.8108.2
19T35.3Very low37.1Very low106 Ų106144.9 Ų144.965%0.6572%0.719SS**SBendtrans-155.2130.7168.733.10000106.8
20D31.2Very low36.4Very low133 Ų133143 Ų14371%0.71172%0.717SS**  trans78.456.9172.4-50.9-25.4000118.7N22D20-N22 VanDerWaalsContact C-N 3.29Å
21W33.9Very low35.7Very low244 Ų244148.3 Ų148.392%0.92473%0.733SS**  trans-98.864.7138.5-75.382.4000108.5L23W21-L23 PolarHBondContact O-N 2.71Å; W21-L23 VanDerWaalsContact O-N 3.16Å
22N29.3Very low35Very low126 Ų126143.2 Ų143.267%0.67473%0.729SS**  trans-73.795.2164.8-110.9-38.7000107D20 S24D20-N22 VanDerWaalsContact C-N 3.29Å; N22-S24 PolarHBondContact O-N 3.43Å
23L34.4Very low34.9Very low128 Ų128147.3 Ų147.367%0.6775%0.745SS**  trans-71.967.6157.3-81.7160.7000108.3W21 D25 R182W21-L23 PolarHBondContact O-N 2.71Å; W21-L23 VanDerWaalsContact O-N 3.16Å; L23-D25 PolarHBondContact O-N 3.34Å; L23-D25 VanDerWaalsContact O-N 3.11Å; L23-R182 PolarHBondContact O-NH2 3.5Å; L23-R182 VanDerWaalsContact O-NH2 3.15Å
24S33.5Very low34.6Very low82 Ų82151.9 Ų151.957%0.57375%0.753SS**  trans-7865.8158.360.40000108.1N22 S26N22-S24 PolarHBondContact O-N 3.43Å; S24-S26 PolarHBondContact O-N 3.33Å
25D30.3Very low34.1Very low108 Ų108150.6 Ų150.658%0.57875%0.754SS**  trans-73.383.1157.9-86.1-22.3000107L23 R182L23-D25 PolarHBondContact O-N 3.34Å; L23-D25 VanDerWaalsContact O-N 3.11Å; D25-R182 PolarHBondContact O-NH1 2.87Å; D25-R182 PolarHBondContact O-NH2 3.16Å
26S39.4Very low33.5Very low103 Ų103143.4 Ų143.472%0.7275%0.751SS**  trans-115.167.9152.949.80000106.1S24S24-S26 PolarHBondContact O-N 3.33Å
27A34Very low33.3Very low78 Ų78142.3 Ų142.365%0.64576%0.755SS**  trans-103.7101155.900000105.6F29A27-F29 PolarHBondContact O-N 3.35Å
28P34.3Very low33.1Very low116 Ų116142.8 Ų142.875%0.75376%0.758SS**  trans-64.3127.1165.126.9-27.8000107.1D30P28-D30 PolarHBondContact O-N 2.86Å
29F30Very low32.7Very low199 Ų199139.2 Ų139.287%0.87376%0.757SS**  trans-64.8105.3164.6-86.3-89.5000106.9A27 F31A27-F29 PolarHBondContact O-N 3.35Å; F29-F31 PolarHBondContact O-N 3.11Å
30D29.7Very low32.7Very low125 Ų125143.3 Ų143.367%0.66877%0.769SS**  trans-80.7109.9178.8-168.33.9000109.3P28 S32P28-D30 PolarHBondContact O-N 2.86Å; D30-S32 PolarHBondContact OD1-N 3.28Å; D30-S32 VanDerWaalsContact OD1-N 3.16Å
31F32.8Very low32.8Very low200 Ų200141.3 Ų141.388%0.87777%0.77SS**  trans-127.750.2166.2-99.6-77.3000108.1F29F29-F31 PolarHBondContact O-N 3.11Å
32S30.7Very low32.7Very low100 Ų100135 Ų13570%0.69976%0.761SS**  trans-128.357.2178.7-55.10000111.8D30D30-S32 PolarHBondContact OD1-N 3.28Å; D30-S32 VanDerWaalsContact OD1-N 3.16Å
33D34.5Very low32.9Very low157 Ų157138.7 Ų138.784%0.8477%0.771SS**  trans-127.177155.8-100-22.4000107.3
34E34.4Very low32.8Very low174 Ų174142.3 Ų142.381%0.81378%0.782SS**SBendtrans-177.4125.4141.7-109.5179110.700111.2
35L33.1Very low32.8Very low163 Ų163145.4 Ų145.485%0.85379%0.792SS**  trans89109.4155.9-54.1168.1000119
36G29.4Very low32.9Very low78 Ų78149.7 Ų149.780%0.80481%0.805SS**  113.2104.5123.200000115.7
37E33.9Very low32.6Very low184 Ų184153.2 Ų153.286%0.8682%0.815SS**  trans-57160.9165.4-67.3165.8115.700112.5
38D30.6Very low32.4Very low150 Ų150158.4 Ų158.480%0.80282%0.823SS**  trans8198.1166.6-52.1-30.5000118
39D32.3Very low32.2Very low170 Ų170158.9 Ų158.991%0.90982%0.824SS**  174.8147.5111.1-100.3-36.1000113.8
40E35.9Very low32.2Very low192 Ų192154.4 Ų154.490%0.89781%0.812SS**PPolyproline II helixtrans-71125.9-165.2-164.2149.2123.400115.1
41A32.3Very low32.3Very low90 Ų90154.4 Ų154.474%0.74482%0.817SS**PPolyproline II helixtrans-100.7129.5174.400000112.4
42P32.9Very low32.3Very low111 Ų111150.4 Ų150.472%0.72181%0.814SS**PPolyproline II helixtrans-82.4133.5-176.531-31.8000113F44P42-F44 PolarHBondContact O-N 2.89Å
43K31.7Very low32.2Very low204 Ų204148.7 Ų148.789%0.88781%0.811SS**PPolyproline II helixtrans-69118.2173.1-77.2172.7176.6168.50111.5
44F33.4Very low31.9Very low204 Ų204151 Ų15190%0.89582%0.817SS**PPolyproline II helixtrans-80.4119.6167.6-86.6-88.8000111.4P42P42-F44 PolarHBondContact O-N 2.89Å
45N33.6Very low31.5Very low147 Ų147151.4 Ų151.479%0.78682%0.821SS**PPolyproline II helixtrans-85.5139.1179.2-100.9-22.3000112.7
46K32Very low31.3Very low198 Ų198149.2 Ų149.286%0.86182%0.819SS**  trans31106.3150.5-75.2-179.2174.8176.50118.8
47L32.5Very low31.1Very low177 Ų177152 Ų15293%0.92782%0.816SS**  trans-78.6121.4153.9-80.4154.9000109.8
48K30.4Very low30.7Very low187 Ų187154.7 Ų154.781%0.81382%0.82SS**  trans-90.2104.7173.9-175.6-177.7178.8-178.60108.6V50K48-V50 HydrophobicContact CD-CG2 4.23Å; K48-V50 HydrophobicContact CG-CG2 4.07Å
49V30.8Very low30.5Very low127 Ų127152.9 Ų152.977%0.7782%0.819SS**  trans-80.3115.1168.11800000107.4V51V49-V51 HydrophobicContact CG1-CG2 4.01Å
50V30.2Very low30.2Very low105 Ų105150 Ų15064%0.63682%0.818SS**  trans-98.6107.2171.9177.70000107.1K48K48-V50 HydrophobicContact CD-CG2 4.23Å; K48-V50 HydrophobicContact CG-CG2 4.07Å
51V31.8Very low29.7Very low125 Ų125144.4 Ų144.476%0.75881%0.812SS**  trans-99.5109.6164.1179.50000105.9V49 G53V49-V51 HydrophobicContact CG1-CG2 4.01Å; V51-G53 PolarHBondContact O-N 3.02Å
52S31.4Very low29.3Very low116 Ų116145.4 Ų145.481%0.81182%0.821SS**  trans-73.4112.9164.9-82.30000107.9
53G29.1Very low29Very low63 Ų63145.5 Ų145.565%0.64982%0.824SS**  trans-89.9144.6164.300000110.1V51V51-G53 PolarHBondContact O-N 3.02Å
54E28.3Very low28.7Very low207 Ų207140.3 Ų140.397%0.96781%0.813SS**  trans-129.3111.5147.1-75-170.3128.800107.1
55M26.6Very low28.4Very low182 Ų182138 Ų13890%0.89781%0.81SS**  trans-110.8118.7172.8-178.5103.2170.400105
56S27.3Very low27.9Very low116 Ų116134.5 Ų134.581%0.81181%0.809SS**  trans-108.8121169.156.60000109.1
57D25.5Very low27.6Very low136 Ų136132 Ų13273%0.72781%0.81SS**  trans-51.1151.4176.8-61.3-52.8000113.8
58Y26Very low27.3Very low242 Ų242127.8 Ų127.895%0.94980%0.801SS**  trans-164.6147.9134.4-98.3-69.8000112.7
59S26.3Very low27.1Very low112 Ų112125.2 Ų125.278%0.78380%0.801SS**  trans-61.6160.4-159.6-650000120.5
60A26.5Very low27Very low108 Ų108124.7 Ų124.789%0.89380%0.802SS**  trans-49.4138.3157.300000113.8
61G25Very low26.7Very low75 Ų75125.2 Ų125.277%0.77381%0.806SS**  trans-164.2100168.500000109.5
62A24.5Very low26.4Very low112 Ų112125.7 Ų125.793%0.92681%0.809SS**  trans-66.7139168.900000110.1
63S25.1Very low26.2Very low113 Ų113125.8 Ų125.879%0.7980%0.804SS**  trans-146.3123.8156.5-177.90000109.3
64S25.9Very low26.1Very low94 Ų94128.9 Ų128.966%0.65781%0.81SS**  trans-53.2147.7168.949.90000112.5
65N26.9Very low26.3Very low156 Ų156124.4 Ų124.483%0.83480%0.799SS**  -176.5112.6123.7-85.5-17.2000109
66G24.2Very low26.5Very low74 Ų74122 Ų12276%0.76380%0.797SS**  trans-83157.1174.200000112.1
67V25.6Very low26.5Very low145 Ų145120 Ų12088%0.87980%0.796SS**  trans-148120.7157.2176.90000110.1
68A25.7Very low26.6Very low88 Ų88118.8 Ų118.873%0.72780%0.804SS**  trans39.7109.8151.100000121.6
69V26.8Very low26.7Very low134 Ų134111.1 Ų111.181%0.81280%0.799SS**  trans-71.1120.4149.71690000108.6
70S27.2Very low26.7Very low115 Ų115109 Ų10980%0.80480%0.795SS**  trans-107.8101163.9-1050000109.6
71T24.8Very low26.9Very low116 Ų116111 Ų11171%0.71279%0.791SS**  trans-67.9123.3162.2-130000108.5
72V25.8Very low27.4Very low135 Ų135115.8 Ų115.882%0.81879%0.793SS**  trans-124.8118.3161.9178.50000108
73V26.8Very low27.9Very low118 Ų118118.5 Ų118.572%0.71579%0.791SS**  trans-98.9162.1174.9174.90000107.9
74V28.1Very low28.4Very low128 Ų128121.1 Ų121.178%0.77680%0.797SS**  trans120.6141.6151.2179.70000112.8
75P30.8Very low29.2Very low114 Ų114124.1 Ų124.174%0.7481%0.805SS**  cis-132.3-175.9-29.534.8-15.4000113.5
76P30.7Very low29.8Very low130 Ų130124.4 Ų124.484%0.84481%0.807SS**  trans-99.3143.4171.335.9-26.9000113.3
77G27.4Very low30.8Very low76 Ų76128.8 Ų128.878%0.78481%0.813SS**  trans169.4129.6162.900000116.9
78A28.9Very low31.6Very low110 Ų110127 Ų12791%0.90981%0.807SS**  trans72.2131168.400000117
79G27.4Very low32.6Very low81 Ų81130.7 Ų130.784%0.83581%0.813SS**  cis115.798.21000000111.2
80G27.2Very low33.4Very low68 Ų68132 Ų13270%0.70182%0.815SS**  trans107.7124.2156.200000118.6
81D29.3Very low33.7Very low150 Ų150133.7 Ų133.780%0.80282%0.815SS**  trans79.3103.3149.2-48-24.4000118.5
82E36.6Very low34.1Very low175 Ų175134.1 Ų134.182%0.81882%0.823SS**  79.196.989.5-76-170.2151.900112.7
83D34.6Very low34.4Very low168 Ų168132.7 Ų132.790%0.89882%0.819SS**  trans156.894.4140.9-79.4-26.8000109.9D85D83-D85 PolarHBondContact O-N 3.08Å
84D35.9Very low34.8Very low169 Ų169132.4 Ų132.490%0.90482%0.822SS**  trans-80.596.2179.2-83.7-45000111
85D43.4Very low35Very low157 Ų157132.8 Ų132.884%0.8483%0.825SS**  trans-149.468.2156-92.9-35.8000109.5D83D83-D85 PolarHBondContact O-N 3.08Å
86D38.9Very low35.4Very low162 Ų162133.7 Ų133.787%0.86683%0.831SS**  trans-150.994.4164.5-95.1-34.6000111.1S88D86-S88 PolarHBondContact O-N 3.27Å
87D45.2Very low35.3Very low166 Ų166130.9 Ų130.989%0.88883%0.825SS**  trans-70.680.8168.2-94.9-34.3000109.6L89D87-L89 PolarHBondContact O-N 3.03Å
88S41.4Very low35.5Very low108 Ų108132.6 Ų132.676%0.75583%0.825SS**  trans1.6101.1152.242.30000117D86 L90D86-S88 PolarHBondContact O-N 3.27Å; S88-L90 PolarHBondContact O-N 3.27Å
89L47.3Very low36.1Very low164 Ų164134.3 Ų134.386%0.85983%0.827SS**  trans-91.338.7169.7-99177.9000113.2D87D87-L89 PolarHBondContact O-N 3.03Å
90L42.8Very low36.5Very low162 Ų162133.2 Ų133.285%0.84882%0.815SS**  trans-148.392.1175.1-69.6174.1000111S88S88-L90 PolarHBondContact O-N 3.27Å
91D34.6Very low37.1Very low151 Ų151138.2 Ų138.281%0.80783%0.825SS**  trans-162.6109.9136.7-122.4-17.8000110
92S33.8Very low37.7Very low124 Ų124139 Ų13987%0.86783%0.83SS**  trans-142.369169.9-68.20000107.7S94S92-S94 PolarHBondContact O-N 2.88Å
93S31.8Very low38Very low105 Ų105137.1 Ų137.173%0.73482%0.822SS**  trans-78.697.116045.50000108.1T95S93-T95 PolarHBondContact O-N 3.08Å
94S35.7Very low39.1Very low113 Ų113134.2 Ų134.279%0.7981%0.807SS**  trans-74.2112.5170.143.60000110S92S92-S94 PolarHBondContact O-N 2.88Å
95T31.2Very low40Very low135 Ų135131.4 Ų131.483%0.82880%0.798SS**  trans-79.3126.4161.129.20000109.6S93S93-T95 PolarHBondContact O-N 3.08Å
96P39.1Very low41.1Very low134 Ų134128.2 Ų128.287%0.8779%0.787SS**  trans-90.8122.5174.531.5-26.3000110.1
97G28.9Very low42.5Very low70 Ų70124 Ų12472%0.72276%0.764SS**  trans165.275.4170.100000115.3
98S31.5Very low43.7Very low113 Ų113121.1 Ų121.179%0.7975%0.749SS**  trans-173.3131148.2-79.30000109.5G100S98-G100 VanDerWaalsContact C-N 3.26Å; S98-G100 PolarHBondContact O-N 3.47Å
99P41.5Very low45.2Very low146 Ų146120.1 Ų120.195%0.94874%0.741SS**  trans-8078.5175.132.4-29.9000109.1
100G35Very low46.4Very low57 Ų57115.9 Ų115.959%0.58872%0.719SS**  trans-112.1130.3166.100000108.1S98 N102S98-G100 VanDerWaalsContact C-N 3.26Å; S98-G100 PolarHBondContact O-N 3.47Å; G100-N102 PolarHBondContact O-N 3.46Å
101L41.1Very low47.7Very low173 Ų173112.7 Ų112.791%0.90670%0.698SS**  trans-16.7117.9173.3-62.2168.6000112.9M103L101-M103 PolarHBondContact O-N 3.03Å
102N41.5Very low49.8Very low168 Ų168111.6 Ų111.690%0.89869%0.686SS**  trans-45.3100.6175-84.1-39.8000109.5G100G100-N102 PolarHBondContact O-N 3.46Å
103M43.9Very low51.8Low135 Ų135111.4 Ų111.467%0.66567%0.667SS**  trans-82.4124.4176.1-173123.159.400106.6L101 D107L101-M103 PolarHBondContact O-N 3.03Å; M103-D107 HydrophobicContact CG-CB 4.44Å
104D56.6Low53.9Low106 Ų106111.3 Ų111.357%0.56766%0.655SS**  trans-54.1130.1-177.6-70-48.6000110.5C106 D107D104-C106 PolarHBondContact O-N 2.82Å; D104-D107 PolarHBondContact O-N 3.06Å
105P55.4Low56Low110 Ų110112.5 Ų112.571%0.71464%0.642SS**Hα-helixtrans-52.3-25.2-179.7-28.334000114
106C65.9Low58.4Low91 Ų91110.1 Ų110.162%0.61562%0.623SS**Hα-helixtrans-74.4-25.6-179.9-73.30000114.6D104 N108 C109 N110D104-C106 PolarHBondContact O-N 2.82Å; C106-N108 VanDerWaalsContact C-N 3.35Å; C106-N108 PolarHBondContact O-N 2.9Å; C106-C109 WeakPolarHBondContact O-CB 3.36Å; C106-C109 PolarHBondContact O-N 3.21Å; C106-N110 PolarHBondContact O-N 2.84Å
107D67.6Low60.2Low72 Ų72108.1 Ų108.139%0.38560%0.598SS.*Hα-helixtrans-69.4-35.7-178.4-102.25.3000112.1M103 D104 N110 K111M103-D107 HydrophobicContact CG-CB 4.44Å; D104-D107 PolarHBondContact O-N 3.06Å; D107-N110 PolarHBondContact O-N 2.87Å; D107-K111 WeakPolarHBondContact O-CG 3.36Å; D107-K111 PolarHBondContact O-N 3.07Å
108N70.6Confident62.5Low107 Ų107106.6 Ų106.657%0.57257%0.572SS**Hα-helixtrans-71-35.3177-15513.5000111.5C106 K111 K112C106-N108 VanDerWaalsContact C-N 3.35Å; C106-N108 PolarHBondContact O-N 2.9Å; N108-K111 PolarHBondContact O-N 3.39Å; N108-K112 WeakPolarHBondContact O-CB 3.36Å; N108-K112 PolarHBondContact O-N 2.88Å
109C73.3Confident65Low87 Ų87109.7 Ų109.759%0.58857%0.567SS**Hα-helixtrans-62.6-43.5172.5-74.10000112C106 K112 R113C106-C109 WeakPolarHBondContact O-CB 3.36Å; C106-C109 PolarHBondContact O-N 3.21Å; C109-K112 PolarHBondContact O-N 2.59Å; C109-R113 WeakPolarHBondContact O-CB 3.42Å; C109-R113 PolarHBondContact O-N 2.72Å
110N72.2Confident67Low74 Ų74109.2 Ų109.240%0.39655%0.546SS..Hα-helixtrans-63.1-46.4175.8-85.8-32.8000112.2C106 D107 K112 R113 E114C106-N110 PolarHBondContact O-N 2.84Å; D107-N110 PolarHBondContact O-N 2.87Å; N110-K112 PolarHBondContact O-N 2.81Å; N110-R113 PolarHBondContact O-N 3.21Å; N110-R113 PolarHBondContact OD1-NH2 3.28Å; N110-E114 PolarHBondContact O-N 3.23Å
111K71.4Confident69.2Low95 Ų95107.6 Ų107.641%0.41353%0.525SS..Hα-helixtrans-61.2-41.1175.9-73.5172.3-176.8164.80112.3D107 N108 R115D107-K111 WeakPolarHBondContact O-CG 3.36Å; D107-K111 PolarHBondContact O-N 3.07Å; N108-K111 PolarHBondContact O-N 3.39Å; K111-R115 WeakPolarHBondContact O-CG 3.5Å; K111-R115 PolarHBondContact O-N 3.29Å; K111-R115 VanDerWaalsContact O-N 3.1Å
112K77.5Confident71.2Confident128 Ų128101 Ų10156%0.55749%0.49SS*.Hα-helixtrans-63.5-44.9175.7-171.1177180-1790110.9N108 C109 N110 R115 I116N108-K112 WeakPolarHBondContact O-CB 3.36Å; N108-K112 PolarHBondContact O-N 2.88Å; C109-K112 PolarHBondContact O-N 2.59Å; N110-K112 PolarHBondContact O-N 2.81Å; K112-R115 PolarHBondContact O-N 3.22Å; K112-I116 HydrophobicContact CG-CD1 4.14Å; K112-I116 WeakPolarHBondContact O-CG1 3.4Å; K112-I116 PolarHBondContact O-N 3.34Å
113R77.1Confident73.4Confident120 Ų12099 Ų9945%0.45347%0.473SS..Hα-helixtrans-62.2-42177.8-173.5171.168176.8-1112.5C109 N110 I116 R117C109-R113 WeakPolarHBondContact O-CB 3.42Å; C109-R113 PolarHBondContact O-N 2.72Å; N110-R113 PolarHBondContact O-N 3.21Å; N110-R113 PolarHBondContact OD1-NH2 3.28Å; R113-I116 PolarHBondContact O-N 3.33Å; R113-R117 PolarHBondContact O-N 3Å
114E76.1Confident75.3Confident104 Ų10496 Ų9649%0.48645%0.454SS..Hα-helixtrans-62.3-46.3176.3-168.5-178.2172.500111.1N110 I116 R117 H118 K391N110-E114 PolarHBondContact O-N 3.23Å; E114-I116 PolarHBondContact O-N 3.48Å; E114-R117 PolarHBondContact O-N 3.32Å; E114-H118 WeakPolarHBondContact O-CB 3.39Å; E114-H118 PolarHBondContact O-N 3.3Å; E114-K391 IonicContact OE1-NZ 3.83Å
115R78.4Confident76.5Confident138 Ų13891.1 Ų91.152%0.52143%0.428SS..Hα-helixtrans-59-43.5175.6-73.5-170.3-67.6-106.73.3112.7K111 K112 H118 R119K111-R115 WeakPolarHBondContact O-CG 3.5Å; K111-R115 PolarHBondContact O-N 3.29Å; K111-R115 VanDerWaalsContact O-N 3.1Å; K112-R115 PolarHBondContact O-N 3.22Å; R115-H118 PolarHBondContact O-N 3.42Å; R115-R119 WeakPolarHBondContact O-CB 3.43Å; R115-R119 PolarHBondContact O-N 2.89Å
116I82Confident78.1Confident84 Ų8489.4 Ų89.443%0.43141%0.412SS..Hα-helixtrans-64.8-43.9178.2-67.4166.3000110.7K112 R113 E114 R119 R120K112-I116 HydrophobicContact CG-CD1 4.14Å; K112-I116 WeakPolarHBondContact O-CG1 3.4Å; K112-I116 PolarHBondContact O-N 3.34Å; R113-I116 PolarHBondContact O-N 3.33Å; E114-I116 PolarHBondContact O-N 3.48Å; I116-R119 PolarHBondContact O-N 3.43Å; I116-R120 WeakPolarHBondContact O-CG 3.32Å; I116-R120 PolarHBondContact O-N 3.36Å
117R77.2Confident79.2Confident92 Ų9289.3 Ų89.335%0.34740%0.404SS..Hα-helixtrans-60.5-48175.7-175.3-175.1-67.7172.6-1.7110.8R113 E114 R119 R120 V121R113-R117 PolarHBondContact O-N 3Å; E114-R117 PolarHBondContact O-N 3.32Å; R117-R119 VanDerWaalsContact C-N 3.35Å; R117-R119 PolarHBondContact O-N 3.49Å; R117-R120 WeakPolarHBondContact O-CB 3.48Å; R117-R120 PolarHBondContact O-N 3.29Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 3.49Å
118H77.2Confident80Confident39 Ų3985.9 Ų85.918%0.18139%0.386CS..Hα-helixtrans-60-43.9179.7-167.5-85.9000112E114 R115 R120 V121 M122 L172E114-H118 WeakPolarHBondContact O-CB 3.39Å; E114-H118 PolarHBondContact O-N 3.3Å; R115-H118 PolarHBondContact O-N 3.42Å; H118-R120 VanDerWaalsContact C-N 3.34Å; H118-R120 PolarHBondContact O-N 2.8Å; H118-V121 PolarHBondContact O-N 2.88Å; H118-M122 VanDerWaalsContact CE1-SD 3.55Å; H118-M122 WeakPolarHBondContact O-CG 3.43Å; H118-M122 PolarHBondContact O-N 2.84Å; H118-L172 PolarHBondContact CE1-O 2.9Å; H118-L172 VanDerWaalsContact CE1-O 3.25Å; H118-L172 PolarHBondContact NE2-O 2.89Å
119R83.4Confident80.8Confident177 Ų17781.3 Ų81.367%0.66836%0.364SS*.Hα-helixtrans-64.3-37.8177.3-163.3173.8-174.3-173.3-0.2112.2R115 I116 R117 K123R115-R119 WeakPolarHBondContact O-CB 3.43Å; R115-R119 PolarHBondContact O-N 2.89Å; I116-R119 PolarHBondContact O-N 3.43Å; R117-R119 VanDerWaalsContact C-N 3.35Å; R117-R119 PolarHBondContact O-N 3.49Å; R119-K123 WeakPolarHBondContact O-CG 3.4Å; R119-K123 PolarHBondContact O-N 2.9Å
120R83.5Confident81.6Confident137 Ų13781.6 Ų81.652%0.51736%0.358SS..Hα-helixtrans-63.5-44.9173.2-77.2-172.2-76.2176.2-7.7111.8I116 R117 H118 K123 R124I116-R120 WeakPolarHBondContact O-CG 3.32Å; I116-R120 PolarHBondContact O-N 3.36Å; R117-R120 WeakPolarHBondContact O-CB 3.48Å; R117-R120 PolarHBondContact O-N 3.29Å; H118-R120 VanDerWaalsContact C-N 3.34Å; H118-R120 PolarHBondContact O-N 2.8Å; R120-K123 PolarHBondContact O-N 3.34Å; R120-R124 WeakPolarHBondContact O-CG 3.45Å; R120-R124 PolarHBondContact O-N 2.86Å
121V81.3Confident82.4Confident23 Ų2380.4 Ų80.414%0.13935%0.352CS..Hα-helixtrans-60.2-47.8176.4170.80000111R117 H118 K123 R124 L125 L172 V293R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 3.49Å; H118-V121 PolarHBondContact O-N 2.88Å; V121-K123 PolarHBondContact O-N 3.48Å; V121-R124 PolarHBondContact O-N 2.72Å; V121-L125 HydrophobicContact CG1-CD1 3.99Å; V121-L125 HydrophobicContact CG1-CG 4.44Å; V121-L125 WeakPolarHBondContact O-CG 3.26Å; V121-L125 PolarHBondContact O-N 2.94Å; V121-L172 HydrophobicContact CG1-CD1 3.91Å; V121-V293 HydrophobicContact CB-CG2 4.28Å; V121-V293 HydrophobicContact CG1-CG2 3.36Å; V121-V293 HydrophobicContact CG2-CG2 3.87Å
122M83.9Confident83.1Confident34 Ų3476 Ų7617%0.16733%0.332CS..Hα-helixtrans-59.3-46.2177-73.9-175127.700112.4H118 R124 L125 I126 L172 W173H118-M122 VanDerWaalsContact CE1-SD 3.55Å; H118-M122 WeakPolarHBondContact O-CG 3.43Å; H118-M122 PolarHBondContact O-N 2.84Å; M122-R124 VanDerWaalsContact C-N 3.3Å; M122-R124 PolarHBondContact O-N 2.97Å; M122-L125 PolarHBondContact O-N 3.11Å; M122-I126 WeakPolarHBondContact O-CB 3.29Å; M122-I126 WeakPolarHBondContact O-CG1 3.26Å; M122-I126 PolarHBondContact O-N 3.15Å; M122-L172 HydrophobicContact CE-CB 4.04Å; M122-W173 VanDerWaalsContact CE-CA 3.44Å; M122-W173 HydrophobicContact CE-CB 3.66Å; M122-W173 HydrophobicContact CE-CG 4.42Å
123K86.5Confident83.7Confident126 Ų12675.1 Ų75.155%0.54833%0.329SS..Hα-helixtrans-57.3-44.5177.1-76.5-177177.5-170.60111.5R119 R120 V121 I126 I127R119-K123 WeakPolarHBondContact O-CG 3.4Å; R119-K123 PolarHBondContact O-N 2.9Å; R120-K123 PolarHBondContact O-N 3.34Å; V121-K123 PolarHBondContact O-N 3.48Å; K123-I126 PolarHBondContact O-N 2.87Å; K123-I127 VanDerWaalsContact O-CG1 3.26Å; K123-I127 WeakPolarHBondContact O-CG1 3.24Å; K123-I127 PolarHBondContact O-N 2.91Å
124R83.4Confident84.3Confident71 Ų7174.7 Ų74.727%0.26834%0.335SS..Hα-helixtrans-63.8-46.1178.7-69.9174.8-178.2-165.9-5.5112.2R120 V121 M122 I126 I127 A128 Q249 G250R120-R124 WeakPolarHBondContact O-CG 3.45Å; R120-R124 PolarHBondContact O-N 2.86Å; V121-R124 PolarHBondContact O-N 2.72Å; M122-R124 VanDerWaalsContact C-N 3.3Å; M122-R124 PolarHBondContact O-N 2.97Å; R124-I126 VanDerWaalsContact C-N 3.31Å; R124-I126 PolarHBondContact O-N 2.94Å; R124-I127 PolarHBondContact O-N 2.93Å; R124-A128 WeakPolarHBondContact O-CB 3.37Å; R124-A128 PolarHBondContact O-N 2.74Å; R124-Q249 PolarHBondContact NH1-O 3.41Å; R124-Q249 PolarHBondContact NH2-O 2.73Å; R124-G250 VanDerWaalsContact NH1-CA 3.3Å
125L83.3Confident84.8Confident4 Ų471.1 Ų71.12%0.02132%0.318CS..Hα-helixtrans-65.1-33.8177.3-69.4175.7000112.5V121 M122 A129 I165 L169 L172 L247 A296V121-L125 HydrophobicContact CG1-CD1 3.99Å; V121-L125 HydrophobicContact CG1-CG 4.44Å; V121-L125 WeakPolarHBondContact O-CG 3.26Å; V121-L125 PolarHBondContact O-N 2.94Å; M122-L125 PolarHBondContact O-N 3.11Å; L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.01Å; L125-I165 HydrophobicContact CB-CG2 4.41Å; L125-I165 HydrophobicContact CD2-CG2 4.49Å; L125-L169 HydrophobicContact CB-CD1 4.23Å; L125-L172 HydrophobicContact CD1-CD1 3.38Å; L125-L247 HydrophobicContact CD2-CD2 4.49Å; L125-A296 HydrophobicContact CD2-CB 4.34Å
126I89.3Confident85.3Confident75 Ų7565.7 Ų65.739%0.38530%0.298SS..Hα-helixtrans-66.9-47174.2-69.7166000110.7M122 K123 R124 A128 A129 I130 L169M122-I126 WeakPolarHBondContact O-CB 3.29Å; M122-I126 WeakPolarHBondContact O-CG1 3.26Å; M122-I126 PolarHBondContact O-N 3.15Å; K123-I126 PolarHBondContact O-N 2.87Å; R124-I126 VanDerWaalsContact C-N 3.31Å; R124-I126 PolarHBondContact O-N 2.94Å; I126-A128 VanDerWaalsContact C-N 3.28Å; I126-A128 PolarHBondContact O-N 3Å; I126-A129 PolarHBondContact O-N 3.44Å; I126-I130 HydrophobicContact CG2-CD1 3.82Å; I126-I130 HydrophobicContact CG2-CG1 4.48Å; I126-I130 WeakPolarHBondContact O-CG1 3.21Å; I126-I130 PolarHBondContact O-N 3.12Å; I126-L169 HydrophobicContact CD1-CD1 4.19Å; I126-L169 HydrophobicContact CG1-CD1 3.57Å; I126-L169 HydrophobicContact CG1-CD2 4.06Å; I126-L169 HydrophobicContact CG1-CG 4.48Å
127I88.3Confident85.7Confident88 Ų8864 Ų6445%0.45129%0.293SS..Hα-helixtrans-59.6-44.4177-65.8163.9000109.8K123 R124 I130 L131 L246K123-I127 VanDerWaalsContact O-CG1 3.26Å; K123-I127 WeakPolarHBondContact O-CG1 3.24Å; K123-I127 PolarHBondContact O-N 2.91Å; R124-I127 PolarHBondContact O-N 2.93Å; I127-I130 PolarHBondContact O-N 3.47Å; I127-L131 WeakPolarHBondContact O-CB 3.45Å; I127-L131 PolarHBondContact O-N 3.32Å; I127-L246 HydrophobicContact CB-CD2 4.16Å; I127-L246 HydrophobicContact CG2-CD1 4.25Å; I127-L246 HydrophobicContact CG2-CD2 3.68Å
128A83.8Confident86.1Confident0 Ų061.6 Ų61.60%030%0.296CS..Hα-helixtrans-58-49175.400000112.4R124 I126 I130 L131 Y132 I165 M243 L246R124-A128 WeakPolarHBondContact O-CB 3.37Å; R124-A128 PolarHBondContact O-N 2.74Å; I126-A128 VanDerWaalsContact C-N 3.28Å; I126-A128 PolarHBondContact O-N 3Å; A128-I130 PolarHBondContact O-N 3.25Å; A128-L131 PolarHBondContact O-N 3.42Å; A128-Y132 WeakPolarHBondContact O-CD2 3.24Å; A128-Y132 PolarHBondContact O-N 3.17Å; A128-I165 HydrophobicContact CB-CD1 4.41Å; A128-M243 VanDerWaalsContact CA-CE 3.43Å; A128-M243 HydrophobicContact CB-CE 3.48Å; A128-M243 VanDerWaalsContact CB-CE 3.48Å; A128-M243 HydrophobicContact CB-SD 3.45Å; A128-M243 WeakPolarHBondContact CB-SD 3.33Å; A128-M243 WeakPolarHBondContact O-CE 3.29Å; A128-L246 HydrophobicContact CB-CD2 4.24Å
129A87.6Confident86.6Confident12 Ų1260.2 Ų60.210%0.09929%0.29CS..Hα-helixtrans-61.2-42.2179.100000112.5L125 I126 F133 I165L125-A129 WeakPolarHBondContact O-CB 3.39Å; L125-A129 PolarHBondContact O-N 3.01Å; I126-A129 PolarHBondContact O-N 3.44Å; A129-F133 VanDerWaalsContact O-CB 3.28Å; A129-F133 WeakPolarHBondContact O-CB 3.31Å; A129-F133 PolarHBondContact O-N 2.92Å; A129-I165 HydrophobicContact CB-CG2 3.83Å
130I90.9Very high86.8Confident93 Ų9355.2 Ų55.248%0.47728%0.279SS..Hα-helixtrans-64-44.2177.3-68167.5000110.2I126 I127 A128 F133 L134I126-I130 HydrophobicContact CG2-CD1 3.82Å; I126-I130 HydrophobicContact CG2-CG1 4.48Å; I126-I130 WeakPolarHBondContact O-CG1 3.21Å; I126-I130 PolarHBondContact O-N 3.12Å; I127-I130 PolarHBondContact O-N 3.47Å; A128-I130 PolarHBondContact O-N 3.25Å; I130-F133 PolarHBondContact O-N 3.29Å; I130-L134 HydrophobicContact CG2-CD1 4.02Å; I130-L134 HydrophobicContact CG2-CG 4.41Å; I130-L134 WeakPolarHBondContact O-CG 3.46Å; I130-L134 PolarHBondContact O-N 3.29Å
131L87.5Confident86.9Confident49 Ų4954 Ų5426%0.25728%0.281SS..Hα-helixtrans-63.8-46.5-179.3-169.6148.1000111.7I127 A128 F133 L134 F135 V239 I242 M243I127-L131 WeakPolarHBondContact O-CB 3.45Å; I127-L131 PolarHBondContact O-N 3.32Å; A128-L131 PolarHBondContact O-N 3.42Å; L131-F133 PolarHBondContact O-N 2.98Å; L131-L134 PolarHBondContact O-N 2.77Å; L131-F135 WeakPolarHBondContact O-CB 3.4Å; L131-F135 PolarHBondContact O-N 2.93Å; L131-V239 HydrophobicContact CD2-CG1 3.78Å; L131-I242 HydrophobicContact CD1-CG2 4.02Å; L131-M243 HydrophobicContact CD2-CE 4.24Å
132Y86.6Confident86.8Confident2 Ų254.4 Ų54.41%0.00829%0.29CS..Hα-helixtrans-62.1-41.4174.3-86.4-63.1000112.5A128 F135 M136 M158 D161 V162 I165 M243A128-Y132 WeakPolarHBondContact O-CD2 3.24Å; A128-Y132 PolarHBondContact O-N 3.17Å; Y132-F135 PolarHBondContact O-N 3.49Å; Y132-M136 VanDerWaalsContact O-CB 3.26Å; Y132-M136 WeakPolarHBondContact O-CB 3.47Å; Y132-M136 PolarHBondContact O-N 2.84Å; Y132-M158 HydrophobicContact CD1-SD 3.74Å; Y132-M158 HydrophobicContact CE1-CE 4.14Å; Y132-M158 HydrophobicContact CE1-SD 3.76Å; Y132-D161 HydrophobicContact CE1-CB 4.34Å; Y132-V162 VanDerWaalsContact CB-CG2 3.48Å; Y132-V162 HydrophobicContact CG-CG2 4.48Å; Y132-I165 HydrophobicContact CD2-CD1 3.42Å; Y132-I165 VanDerWaalsContact CD2-CD1 3.42Å; Y132-I165 HydrophobicContact CE2-CD1 3.56Å; Y132-M243 HydrophobicContact CD2-CE 3.25Å; Y132-M243 HydrophobicContact CE2-CE 3.12Å; Y132-M243 HydrophobicContact CE2-CG 3.89Å; Y132-M243 HydrophobicContact CE2-SD 3.98Å; Y132-M243 HydrophobicContact CG-CE 4.1Å
133F90.3Very high86.8Confident110 Ų11052.8 Ų52.848%0.48228%0.282SS..Hα-helixtrans-62.7-44.8178.6-179-97.6000111.9A129 I130 L131 F135 M136 T137A129-F133 VanDerWaalsContact O-CB 3.28Å; A129-F133 WeakPolarHBondContact O-CB 3.31Å; A129-F133 PolarHBondContact O-N 2.92Å; I130-F133 PolarHBondContact O-N 3.29Å; L131-F133 PolarHBondContact O-N 2.98Å; F133-F135 PolarHBondContact O-N 3.32Å; F133-M136 HydrophobicContact CD2-CE 3.65Å; F133-M136 HydrophobicContact CE2-CE 3.82Å; F133-M136 PolarHBondContact O-N 2.95Å; F133-T137 HydrophobicContact CD1-CG2 4.5Å; F133-T137 HydrophobicContact CE1-CG2 4.08Å; F133-T137 HydrophobicContact CZ-CG2 4.08Å; F133-T137 WeakPolarHBondContact O-CG2 3.39Å; F133-T137 PolarHBondContact O-N 3.35Å; F133-T137 PolarHBondContact O-OG1 3.42Å
134L90.3Very high86.6Confident110 Ų11055.5 Ų55.558%0.57629%0.29SS*.Hα-helixtrans-61.7-44.3176.3-71.6173.7000111.5I130 L131 T137 G138I130-L134 HydrophobicContact CG2-CD1 4.02Å; I130-L134 HydrophobicContact CG2-CG 4.41Å; I130-L134 WeakPolarHBondContact O-CG 3.46Å; I130-L134 PolarHBondContact O-N 3.29Å; L131-L134 PolarHBondContact O-N 2.77Å; L134-T137 PolarHBondContact O-N 3.41Å; L134-T137 PolarHBondContact O-OG1 3.16Å; L134-G138 PolarHBondContact O-N 3.01Å; L134-G138 VanDerWaalsContact O-N 3.13Å
135F86Confident86.6Confident29 Ų2957.5 Ų57.513%0.12731%0.31CS..Hα-helixtrans-64.3-47.8178.7-177.4-115.8000112.2L131 Y132 F133 T137 G138 E139 M158 V235 V239L131-F135 WeakPolarHBondContact O-CB 3.4Å; L131-F135 PolarHBondContact O-N 2.93Å; Y132-F135 PolarHBondContact O-N 3.49Å; F133-F135 PolarHBondContact O-N 3.32Å; F135-T137 VanDerWaalsContact C-N 3.29Å; F135-T137 PolarHBondContact O-N 3.36Å; F135-G138 WeakPolarHBondContact O-CA 3.36Å; F135-G138 PolarHBondContact O-N 2.94Å; F135-E139 HydrophobicContact CD1-CG 4.36Å; F135-E139 HydrophobicContact CD2-CG 4.46Å; F135-E139 HydrophobicContact CE1-CG 3.89Å; F135-E139 WeakPolarHBondContact CE1-OE1 3.26Å; F135-E139 HydrophobicContact CE2-CG 3.97Å; F135-E139 HydrophobicContact CZ-CG 3.69Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.46Å; F135-E139 PolarHBondContact O-N 3.22Å; F135-M158 HydrophobicContact CD1-CG 4Å; F135-M158 HydrophobicContact CD1-SD 3.62Å; F135-M158 HydrophobicContact CE1-CG 4.08Å; F135-M158 HydrophobicContact CE1-SD 3.77Å; F135-V235 HydrophobicContact CD2-CG1 4.39Å; F135-V235 HydrophobicContact CE2-CB 4.45Å; F135-V235 HydrophobicContact CE2-CG1 3.52Å; F135-V235 HydrophobicContact CZ-CG1 4.23Å; F135-V239 HydrophobicContact CB-CG1 4.4Å; F135-V239 HydrophobicContact CD1-CG1 4.04Å; F135-V239 HydrophobicContact CD1-CG2 4.48Å; F135-V239 HydrophobicContact CD2-CG2 3.72Å; F135-V239 HydrophobicContact CE1-CG1 4.49Å; F135-V239 HydrophobicContact CE2-CG2 3.92Å; F135-V239 HydrophobicContact CG-CG1 4.08Å; F135-V239 HydrophobicContact CG-CG2 4.02Å; F135-V239 HydrophobicContact CZ-CG2 4.33Å
136M89.7Confident86.3Confident24 Ų2459.4 Ų59.412%0.11832%0.324CS..Hα-helixtrans-54.4-44.1175177.2-90-71.300111.5Y132 F133 G138 E139 V140 M158 L159Y132-M136 VanDerWaalsContact O-CB 3.26Å; Y132-M136 WeakPolarHBondContact O-CB 3.47Å; Y132-M136 PolarHBondContact O-N 2.84Å; F133-M136 HydrophobicContact CD2-CE 3.65Å; F133-M136 HydrophobicContact CE2-CE 3.82Å; F133-M136 PolarHBondContact O-N 2.95Å; M136-G138 VanDerWaalsContact C-N 3.29Å; M136-G138 PolarHBondContact O-N 3.34Å; M136-E139 PolarHBondContact O-N 3.4Å; M136-V140 HydrophobicContact CG-CG2 4.45Å; M136-V140 VanDerWaalsContact O-CG2 3.29Å; M136-V140 WeakPolarHBondContact O-CG2 3.43Å; M136-V140 PolarHBondContact O-N 2.89Å; M136-V140 HydrophobicContact SD-CG2 3.98Å; M136-M158 HydrophobicContact CB-CB 4.04Å; M136-M158 HydrophobicContact CG-CB 4.33Å; M136-L159 HydrophobicContact CE-CD1 4.27Å
137T89.3Confident85.7Confident50 Ų5062.7 Ų62.731%0.30734%0.342SS..Hα-helixtrans-62.8-36.4175.857.60000112.9F133 L134 F135 I141F133-T137 HydrophobicContact CD1-CG2 4.5Å; F133-T137 HydrophobicContact CE1-CG2 4.08Å; F133-T137 HydrophobicContact CZ-CG2 4.08Å; F133-T137 WeakPolarHBondContact O-CG2 3.39Å; F133-T137 PolarHBondContact O-N 3.35Å; F133-T137 PolarHBondContact O-OG1 3.42Å; L134-T137 PolarHBondContact O-N 3.41Å; L134-T137 PolarHBondContact O-OG1 3.16Å; F135-T137 VanDerWaalsContact C-N 3.29Å; F135-T137 PolarHBondContact O-N 3.36Å; T137-I141 WeakPolarHBondContact O-CB 3.37Å; T137-I141 WeakPolarHBondContact O-CD1 3.19Å; T137-I141 WeakPolarHBondContact O-CG1 3.3Å; T137-I141 PolarHBondContact O-N 3.24Å
138G86.3Confident85Confident41 Ų4160.1 Ų60.142%0.42333%0.332SS..Hα-helixtrans-64.5-44175.200000112.5L134 F135 M136 I141 G142L134-G138 PolarHBondContact O-N 3.01Å; L134-G138 VanDerWaalsContact O-N 3.13Å; F135-G138 WeakPolarHBondContact O-CA 3.36Å; F135-G138 PolarHBondContact O-N 2.94Å; M136-G138 VanDerWaalsContact C-N 3.29Å; M136-G138 PolarHBondContact O-N 3.34Å; G138-I141 PolarHBondContact O-N 2.95Å; G138-G142 PolarHBondContact O-N 2.91Å
139E86.6Confident84.4Confident10 Ų1065.4 Ų65.45%0.04736%0.36CS..Hα-helixtrans-68.5-39.6177.1-67.3-168.2139.300112.8F135 M136 I141 G142 G143 I151 A155 M158F135-E139 HydrophobicContact CD1-CG 4.36Å; F135-E139 HydrophobicContact CD2-CG 4.46Å; F135-E139 HydrophobicContact CE1-CG 3.89Å; F135-E139 WeakPolarHBondContact CE1-OE1 3.26Å; F135-E139 HydrophobicContact CE2-CG 3.97Å; F135-E139 HydrophobicContact CZ-CG 3.69Å; F135-E139 WeakPolarHBondContact CZ-OE1 3.46Å; F135-E139 PolarHBondContact O-N 3.22Å; M136-E139 PolarHBondContact O-N 3.4Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 3.35Å; E139-G142 PolarHBondContact O-N 3.47Å; E139-G143 PolarHBondContact O-N 3.4Å; E139-I151 HydrophobicContact CB-CG2 4.31Å; E139-I151 WeakPolarHBondContact O-CG2 3.44Å; E139-A155 HydrophobicContact CB-CB 4.01Å; E139-M158 VanDerWaalsContact OE2-CG 3.32Å; E139-M158 WeakPolarHBondContact OE2-CG 3.31Å
140V87.7Confident83.6Confident72 Ų7266.5 Ų66.544%0.43637%0.368SS..Hα-helixtrans-60.6-45174.1171.20000110.5M136 Y144 A155M136-V140 HydrophobicContact CG-CG2 4.45Å; M136-V140 VanDerWaalsContact O-CG2 3.29Å; M136-V140 WeakPolarHBondContact O-CG2 3.43Å; M136-V140 PolarHBondContact O-N 2.89Å; M136-V140 HydrophobicContact SD-CG2 3.98Å; V140-Y144 WeakPolarHBondContact O-CB 3.29Å; V140-Y144 PolarHBondContact O-N 3.3Å; V140-A155 HydrophobicContact CG2-CB 3.73Å
141I86.3Confident82.9Confident110 Ų11062.4 Ų62.456%0.56435%0.348SS*.Hα-helixtrans-64.8-45.8176.6-67164.9000110.3T137 G138 E139 G143 Y144 V145T137-I141 WeakPolarHBondContact O-CB 3.37Å; T137-I141 WeakPolarHBondContact O-CD1 3.19Å; T137-I141 WeakPolarHBondContact O-CG1 3.3Å; T137-I141 PolarHBondContact O-N 3.24Å; G138-I141 PolarHBondContact O-N 2.95Å; E139-I141 VanDerWaalsContact C-N 3.33Å; E139-I141 PolarHBondContact O-N 3.35Å; I141-G143 PolarHBondContact O-N 3.46Å; I141-Y144 PolarHBondContact O-N 3.16Å; I141-V145 HydrophobicContact CG2-CG2 4.38Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.33Å; I141-V145 PolarHBondContact O-N 3.37Å
142G80.3Confident82.5Confident32 Ų3264.5 Ų64.533%0.3336%0.357SS..Hα-helixtrans-61.5-42.1178.200000112.8G138 E139 V145 S146G138-G142 PolarHBondContact O-N 2.91Å; E139-G142 PolarHBondContact O-N 3.47Å; G142-V145 PolarHBondContact O-N 3.07Å; G142-S146 VanDerWaalsContact O-CB 3.28Å; G142-S146 WeakPolarHBondContact O-CB 3.35Å; G142-S146 PolarHBondContact O-N 3.16Å; G142-S146 PolarHBondContact O-OG 3.26Å
143G82.8Confident82.2Confident0 Ų065.4 Ų65.40%036%0.363CS..Hα-helixtrans-64-42.7175.300000112.4E139 I141 S146 N147 S148E139-G143 PolarHBondContact O-N 3.4Å; I141-G143 PolarHBondContact O-N 3.46Å; G143-S146 PolarHBondContact O-OG 3.13Å; G143-N147 WeakPolarHBondContact O-CA 3.26Å; G143-N147 PolarHBondContact O-N 2.59Å; G143-S148 PolarHBondContact O-N 2.98Å; G143-S148 VanDerWaalsContact O-N 3.17Å
144Y83.7Confident81.7Confident184 Ų18462.4 Ų62.472%0.72235%0.352SS*.Hα-helixtrans-66.1-44.4176.5-173.7-95.3000112.4V140 I141 S146 N147V140-Y144 WeakPolarHBondContact O-CB 3.29Å; V140-Y144 PolarHBondContact O-N 3.3Å; I141-Y144 PolarHBondContact O-N 3.16Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 2.88Å; Y144-N147 PolarHBondContact O-N 2.98Å
145V82Confident81.4Confident113 Ų11357.4 Ų57.469%0.68533%0.326SS*.Hα-helixtrans-67.2-36.2179.7171.50000111.7I141 G142I141-V145 HydrophobicContact CG2-CG2 4.38Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.33Å; I141-V145 PolarHBondContact O-N 3.37Å; G142-V145 PolarHBondContact O-N 3.07Å
146S77.9Confident81.4Confident43 Ų4360 Ų6030%0.30134%0.344SS..Hα-helixtrans-85.5-8.2179.460.70000114.2G142 G143 Y144 S148 I151G142-S146 VanDerWaalsContact O-CB 3.28Å; G142-S146 WeakPolarHBondContact O-CB 3.35Å; G142-S146 PolarHBondContact O-N 3.16Å; G142-S146 PolarHBondContact O-OG 3.26Å; G143-S146 PolarHBondContact O-OG 3.13Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 2.88Å; S146-S148 PolarHBondContact O-N 3.31Å; S146-S148 VanDerWaalsContact OG-CB 3.28Å; S146-S148 WeakPolarHBondContact OG-CB 3.47Å; S146-S148 PolarHBondContact OG-N 3.48Å; S146-I151 VanDerWaalsContact OG-CD1 3.29Å; S146-I151 WeakPolarHBondContact OG-CD1 3.16Å
147N76.2Confident81.1Confident144 Ų14459.3 Ų59.377%0.7734%0.341SS*.THydrogen-bonded Turntrans49.132.4-168-71.3-62.8000113.1G143 Y144G143-N147 WeakPolarHBondContact O-CA 3.26Å; G143-N147 PolarHBondContact O-N 2.59Å; Y144-N147 PolarHBondContact O-N 2.98Å
148S72.9Confident80.9Confident34 Ų3457.1 Ų57.124%0.23833%0.327CS..  trans-98.1112.5-174.1-175.10000111.5G143 S146 A150 I151 M152G143-S148 PolarHBondContact O-N 2.98Å; G143-S148 VanDerWaalsContact O-N 3.17Å; S146-S148 PolarHBondContact O-N 3.31Å; S146-S148 VanDerWaalsContact OG-CB 3.28Å; S146-S148 WeakPolarHBondContact OG-CB 3.47Å; S146-S148 PolarHBondContact OG-N 3.48Å; S148-A150 PolarHBondContact O-N 3.47Å; S148-I151 PolarHBondContact O-N 3.01Å; S148-M152 PolarHBondContact O-N 3.4Å
149L71.4Confident81Confident112 Ų11259.1 Ų59.159%0.58633%0.328SS*.Hα-helixtrans-59.4-34.2175.6-175.363.7000112I151 M152 T153L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.18Å; L149-M152 HydrophobicContact CD1-CE 3.49Å; L149-M152 VanDerWaalsContact CD1-CE 3.49Å; L149-M152 PolarHBondContact O-N 2.83Å; L149-T153 WeakPolarHBondContact O-CG2 3.32Å; L149-T153 PolarHBondContact O-N 3.4Å; L149-T153 PolarHBondContact O-OG1 3.38Å
150A71Confident81.1Confident34 Ų3459.6 Ų59.628%0.28133%0.334SS..Hα-helixtrans-63.3-36.9-179.800000112.9S148 T153 D154S148-A150 PolarHBondContact O-N 3.47Å; A150-T153 PolarHBondContact O-OG1 3.1Å; A150-D154 PolarHBondContact O-N 3.41Å
151I77.4Confident81Confident8 Ų856.3 Ų56.34%0.04131%0.314CS..Hα-helixtrans-74.9-36.1177.9-53175.3000110.2E139 S146 S148 L149 T153 D154 A155 I228 T232E139-I151 HydrophobicContact CB-CG2 4.31Å; E139-I151 WeakPolarHBondContact O-CG2 3.44Å; S146-I151 VanDerWaalsContact OG-CD1 3.29Å; S146-I151 WeakPolarHBondContact OG-CD1 3.16Å; S148-I151 PolarHBondContact O-N 3.01Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.18Å; I151-T153 VanDerWaalsContact C-N 3.28Å; I151-T153 PolarHBondContact O-N 3.3Å; I151-D154 PolarHBondContact O-N 3.01Å; I151-A155 PolarHBondContact O-N 3.49Å; I151-I228 HydrophobicContact CD1-CG2 3.57Å; I151-I228 HydrophobicContact CG1-CG2 4.46Å; I151-T232 HydrophobicContact CD1-CG2 3.93Å; I151-T232 HydrophobicContact CG1-CG2 4.1Å; I151-T232 HydrophobicContact CG2-CG2 4.49Å
152M78.4Confident81.1Confident92 Ų9251.5 Ų51.545%0.45329%0.289SS..Hα-helixtrans-63.5-35.3175.7-63.5-161.6-48.400112.2S148 L149 A155 V156S148-M152 PolarHBondContact O-N 3.4Å; L149-M152 HydrophobicContact CD1-CE 3.49Å; L149-M152 VanDerWaalsContact CD1-CE 3.49Å; L149-M152 PolarHBondContact O-N 2.83Å; M152-A155 PolarHBondContact O-N 3.25Å; M152-V156 WeakPolarHBondContact O-CG2 3.45Å; M152-V156 PolarHBondContact O-N 3.47Å; M152-V156 VanDerWaalsContact O-N 3.11Å
153T79.3Confident81.5Confident22 Ų2252.2 Ų52.214%0.13529%0.287CS..Hα-helixtrans-67.7-35.4177.251.80000112.4L149 A150 I151 V156 H157 E212L149-T153 WeakPolarHBondContact O-CG2 3.32Å; L149-T153 PolarHBondContact O-N 3.4Å; L149-T153 PolarHBondContact O-OG1 3.38Å; A150-T153 PolarHBondContact O-OG1 3.1Å; I151-T153 VanDerWaalsContact C-N 3.28Å; I151-T153 PolarHBondContact O-N 3.3Å; T153-V156 PolarHBondContact O-N 3.48Å; T153-H157 PolarHBondContact O-N 2.92Å; T153-E212 VanDerWaalsContact CG2-OE1 3.22Å; T153-E212 WeakPolarHBondContact CG2-OE1 3.31Å; T153-E212 WeakPolarHBondContact CG2-OE2 3.33Å
154D80Confident81.7Confident46 Ų4652.7 Ų52.725%0.24629%0.292CS..Hα-helixtrans-68.3-40.2174.5-15220.9000111.2A150 I151 V156 H157 M158A150-D154 PolarHBondContact O-N 3.41Å; I151-D154 PolarHBondContact O-N 3.01Å; D154-V156 VanDerWaalsContact C-N 3.3Å; D154-V156 PolarHBondContact O-N 3.46Å; D154-H157 WeakPolarHBondContact O-CA 3.4Å; D154-H157 VanDerWaalsContact O-CB 3.32Å; D154-H157 WeakPolarHBondContact O-CB 3.4Å; D154-H157 PolarHBondContact O-N 2.77Å; D154-M158 WeakPolarHBondContact O-CG 3.47Å; D154-M158 PolarHBondContact O-N 2.89Å
155A84.8Confident81.8Confident5 Ų544.7 Ų44.74%0.04126%0.262CS..Hα-helixtrans-61.8-34.8174.800000113.4E139 V140 I151 M152 M158 L159E139-A155 HydrophobicContact CB-CB 4.01Å; V140-A155 HydrophobicContact CG2-CB 3.73Å; I151-A155 PolarHBondContact O-N 3.49Å; M152-A155 PolarHBondContact O-N 3.25Å; A155-M158 PolarHBondContact O-N 3.45Å; A155-L159 PolarHBondContact O-N 3.48Å
156V84.6Confident82.1Confident84 Ų8443.6 Ų43.651%0.50925%0.252SS..Hα-helixtrans-68.3-37.5173.91710000111.2M152 T153 D154 L159 A160M152-V156 WeakPolarHBondContact O-CG2 3.45Å; M152-V156 PolarHBondContact O-N 3.47Å; M152-V156 VanDerWaalsContact O-N 3.11Å; T153-V156 PolarHBondContact O-N 3.48Å; D154-V156 VanDerWaalsContact C-N 3.3Å; D154-V156 PolarHBondContact O-N 3.46Å; V156-L159 WeakPolarHBondContact O-CB 3.27Å; V156-L159 PolarHBondContact O-N 3.3Å; V156-A160 PolarHBondContact O-N 3.11Å
157H83.9Confident82.6Confident10 Ų1045 Ų455%0.04625%0.253CS..Hα-helixtrans-60.1-51.1172.1-176.1103000110.4T153 D154 L159 A160 D161 L205 D303 Q306T153-H157 PolarHBondContact O-N 2.92Å; D154-H157 WeakPolarHBondContact O-CA 3.4Å; D154-H157 VanDerWaalsContact O-CB 3.32Å; D154-H157 WeakPolarHBondContact O-CB 3.4Å; D154-H157 PolarHBondContact O-N 2.77Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.34Å; H157-A160 WeakPolarHBondContact O-CB 3.41Å; H157-A160 PolarHBondContact O-N 3.08Å; H157-D161 IonicContact CD2-OD2 3.27Å; H157-D161 PolarHBondContact CD2-OD2 3.28Å; H157-D161 IonicContact NE2-OD1 3.62Å; H157-D161 IonicContact NE2-OD2 3.46Å; H157-D161 PolarHBondContact O-N 3.14Å; H157-L205 HydrophobicContact CB-CD1 4.13Å; H157-L205 HydrophobicContact CB-CD2 4.19Å; H157-L205 WeakPolarHBondContact ND1-CD2 3.42Å; H157-D303 IonicContact CE1-OD1 3.96Å; H157-D303 IonicContact NE2-OD1 2.67Å; H157-D303 PolarHBondContact NE2-OD1 3.22Å; H157-Q306 PolarHBondContact CE1-NE2 3.19Å; H157-Q306 PolarHBondContact ND1-NE2 2.86Å
158M86.2Confident83Confident4 Ų438.7 Ų38.72%0.0222%0.219CC..Hα-helixtrans-59-34.8176.4-65.5-70.298.700113.2Y132 F135 M136 E139 D154 A155 D161 V162Y132-M158 HydrophobicContact CD1-SD 3.74Å; Y132-M158 HydrophobicContact CE1-CE 4.14Å; Y132-M158 HydrophobicContact CE1-SD 3.76Å; F135-M158 HydrophobicContact CD1-CG 4Å; F135-M158 HydrophobicContact CD1-SD 3.62Å; F135-M158 HydrophobicContact CE1-CG 4.08Å; F135-M158 HydrophobicContact CE1-SD 3.77Å; M136-M158 HydrophobicContact CB-CB 4.04Å; M136-M158 HydrophobicContact CG-CB 4.33Å; E139-M158 VanDerWaalsContact OE2-CG 3.32Å; E139-M158 WeakPolarHBondContact OE2-CG 3.31Å; D154-M158 WeakPolarHBondContact O-CG 3.47Å; D154-M158 PolarHBondContact O-N 2.89Å; A155-M158 PolarHBondContact O-N 3.45Å; M158-D161 VanDerWaalsContact CE-OD2 3.29Å; M158-D161 WeakPolarHBondContact CE-OD2 3.4Å; M158-D161 PolarHBondContact O-N 3.17Å; M158-V162 WeakPolarHBondContact O-CG2 3.41Å; M158-V162 PolarHBondContact O-N 3.26Å
159L88.1Confident83.7Confident82 Ų8239 Ų3943%0.42922%0.218SC..Hα-helixtrans-63.2-43.5175.1176.363.9000111.6M136 A155 V156 H157 D161 V162 V163M136-L159 HydrophobicContact CE-CD1 4.27Å; A155-L159 PolarHBondContact O-N 3.48Å; V156-L159 WeakPolarHBondContact O-CB 3.27Å; V156-L159 PolarHBondContact O-N 3.3Å; H157-L159 VanDerWaalsContact C-N 3.27Å; H157-L159 PolarHBondContact O-N 3.34Å; L159-D161 PolarHBondContact O-N 3.27Å; L159-V162 PolarHBondContact O-N 3.01Å; L159-V163 HydrophobicContact CD1-CG2 4.35Å; L159-V163 VanDerWaalsContact O-CG2 3.31Å; L159-V163 WeakPolarHBondContact O-CG2 3.34Å; L159-V163 PolarHBondContact O-N 3.31Å
160A87.3Confident84.5Confident21 Ų2138.1 Ų38.117%0.17421%0.214CC..Hα-helixtrans-61-37.6177.100000111.4V156 H157 V163 G164 L205V156-A160 PolarHBondContact O-N 3.11Å; H157-A160 WeakPolarHBondContact O-CB 3.41Å; H157-A160 PolarHBondContact O-N 3.08Å; A160-V163 PolarHBondContact O-N 3.12Å; A160-G164 PolarHBondContact O-N 2.95Å; A160-L205 HydrophobicContact CB-CD2 3.85Å
161D85.8Confident85.3Confident3 Ų336.8 Ų36.82%0.01620%0.203CC..Hα-helixtrans-65.5-45.2176.9-59.9-22.6000111.9Y132 H157 M158 L159 V163 G164 I165 H299Y132-D161 HydrophobicContact CE1-CB 4.34Å; H157-D161 IonicContact CD2-OD2 3.27Å; H157-D161 PolarHBondContact CD2-OD2 3.28Å; H157-D161 IonicContact NE2-OD1 3.62Å; H157-D161 IonicContact NE2-OD2 3.46Å; H157-D161 PolarHBondContact O-N 3.14Å; M158-D161 VanDerWaalsContact CE-OD2 3.29Å; M158-D161 WeakPolarHBondContact CE-OD2 3.4Å; M158-D161 PolarHBondContact O-N 3.17Å; L159-D161 PolarHBondContact O-N 3.27Å; D161-V163 VanDerWaalsContact C-N 3.33Å; D161-V163 PolarHBondContact O-N 3.27Å; D161-G164 PolarHBondContact O-N 2.66Å; D161-I165 WeakPolarHBondContact O-CG1 3.45Å; D161-I165 PolarHBondContact O-N 3.35Å; D161-H299 VanDerWaalsContact CG-NE2 3.3Å; D161-H299 IonicContact OD1-CE1 3.88Å; D161-H299 PolarHBondContact OD1-CE1 2.96Å; D161-H299 IonicContact OD1-NE2 2.66Å; D161-H299 PolarHBondContact OD1-NE2 3.31Å; D161-H299 IonicContact OD2-NE2 2.65Å
162V88.4Confident85.5Confident9 Ų936.6 Ų36.66%0.05520%0.202CC..Hα-helixtrans-57.5-48.6173.5173.70000110.1Y132 M158 L159 G164 I165 L166Y132-V162 VanDerWaalsContact CB-CG2 3.48Å; Y132-V162 HydrophobicContact CG-CG2 4.48Å; M158-V162 WeakPolarHBondContact O-CG2 3.41Å; M158-V162 PolarHBondContact O-N 3.26Å; L159-V162 PolarHBondContact O-N 3.01Å; V162-G164 VanDerWaalsContact C-N 3.32Å; V162-G164 PolarHBondContact O-N 3.46Å; V162-I165 PolarHBondContact O-N 2.65Å; V162-L166 HydrophobicContact CG1-CD1 3.93Å; V162-L166 HydrophobicContact CG1-CG 4.2Å; V162-L166 VanDerWaalsContact O-CG 3.27Å; V162-L166 WeakPolarHBondContact O-CG 3.46Å; V162-L166 PolarHBondContact O-N 3.32Å
163V89.5Confident85.8Confident46 Ų4638.5 Ų38.528%0.27920%0.204SC..Hα-helixtrans-60.5-42.4179.5171.40000111.1L159 A160 D161 I165 L166 F167 L201L159-V163 HydrophobicContact CD1-CG2 4.35Å; L159-V163 VanDerWaalsContact O-CG2 3.31Å; L159-V163 WeakPolarHBondContact O-CG2 3.34Å; L159-V163 PolarHBondContact O-N 3.31Å; A160-V163 PolarHBondContact O-N 3.12Å; D161-V163 VanDerWaalsContact C-N 3.33Å; D161-V163 PolarHBondContact O-N 3.27Å; V163-I165 PolarHBondContact O-N 3.04Å; V163-L166 PolarHBondContact O-N 2.78Å; V163-F167 HydrophobicContact CG1-CD2 3.74Å; V163-F167 HydrophobicContact CG1-CE2 3.33Å; V163-F167 HydrophobicContact CG1-CZ 4.19Å; V163-F167 VanDerWaalsContact O-CD2 3.26Å; V163-F167 WeakPolarHBondContact O-CD2 3.08Å; V163-F167 PolarHBondContact O-N 3.33Å; V163-L201 HydrophobicContact CB-CD1 4.43Å; V163-L201 HydrophobicContact CG1-CD1 3.71Å
164G86.3Confident86.1Confident11 Ų1139.5 Ų39.511%0.11321%0.208CC..Hα-helixtrans-61-41.4175.700000113.3A160 D161 V162 S168 S198A160-G164 PolarHBondContact O-N 2.95Å; D161-G164 PolarHBondContact O-N 2.66Å; V162-G164 VanDerWaalsContact C-N 3.32Å; V162-G164 PolarHBondContact O-N 3.46Å; G164-S168 PolarHBondContact O-N 2.97Å; G164-S168 VanDerWaalsContact O-N 3.12Å; G164-S168 PolarHBondContact O-OG 3.37Å; G164-S198 PolarHBondContact O-OG 2.94Å
165I86Confident86.3Confident16 Ų1637.8 Ų37.88%0.08220%0.2CC..Hα-helixtrans-69.3-39.3176-65.6167.7000111L125 A128 A129 Y132 D161 V162 V163 S168 L169L125-I165 HydrophobicContact CB-CG2 4.41Å; L125-I165 HydrophobicContact CD2-CG2 4.49Å; A128-I165 HydrophobicContact CB-CD1 4.41Å; A129-I165 HydrophobicContact CB-CG2 3.83Å; Y132-I165 HydrophobicContact CD2-CD1 3.42Å; Y132-I165 VanDerWaalsContact CD2-CD1 3.42Å; Y132-I165 HydrophobicContact CE2-CD1 3.56Å; D161-I165 WeakPolarHBondContact O-CG1 3.45Å; D161-I165 PolarHBondContact O-N 3.35Å; V162-I165 PolarHBondContact O-N 2.65Å; V163-I165 PolarHBondContact O-N 3.04Å; I165-S168 WeakPolarHBondContact O-CB 3.36Å; I165-S168 PolarHBondContact O-N 2.92Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.03Å
166L88.7Confident86Confident90 Ų9042.5 Ų42.547%0.47122%0.224SC..Hα-helixtrans-62.3-43.1176.8-71.4176.9000111.7V162 V163 S168 L169 L170V162-L166 HydrophobicContact CG1-CD1 3.93Å; V162-L166 HydrophobicContact CG1-CG 4.2Å; V162-L166 VanDerWaalsContact O-CG 3.27Å; V162-L166 WeakPolarHBondContact O-CG 3.46Å; V162-L166 PolarHBondContact O-N 3.32Å; V163-L166 PolarHBondContact O-N 2.78Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 3.11Å; L166-L169 PolarHBondContact O-N 3.49Å; L166-L170 WeakPolarHBondContact O-CB 3.34Å; L166-L170 PolarHBondContact O-N 2.86Å
167F88.8Confident85.9Confident73 Ų7344.7 Ų44.732%0.3222%0.224SC..Hα-helixtrans-62.3-39.9173.4-74.6-50.1000112.3V163 L170 A171 L197 L201V163-F167 HydrophobicContact CG1-CD2 3.74Å; V163-F167 HydrophobicContact CG1-CE2 3.33Å; V163-F167 HydrophobicContact CG1-CZ 4.19Å; V163-F167 VanDerWaalsContact O-CD2 3.26Å; V163-F167 WeakPolarHBondContact O-CD2 3.08Å; V163-F167 PolarHBondContact O-N 3.33Å; F167-L170 PolarHBondContact O-N 3.12Å; F167-A171 WeakPolarHBondContact O-CB 3.47Å; F167-A171 PolarHBondContact O-N 3.18Å; F167-L197 HydrophobicContact CB-CD2 4.45Å; F167-L197 HydrophobicContact CD1-CD2 3.78Å; F167-L197 HydrophobicContact CD2-CD2 3.49Å; F167-L197 VanDerWaalsContact CD2-CD2 3.49Å; F167-L197 HydrophobicContact CD2-CG 3.96Å; F167-L197 HydrophobicContact CE1-CD2 3.79Å; F167-L197 HydrophobicContact CE2-CD2 3.46Å; F167-L197 VanDerWaalsContact CE2-CD2 3.46Å; F167-L197 HydrophobicContact CE2-CG 4.01Å; F167-L197 HydrophobicContact CG-CD2 3.66Å; F167-L197 HydrophobicContact CG-CG 4.48Å; F167-L197 HydrophobicContact CZ-CD2 3.63Å; F167-L201 HydrophobicContact CD2-CD1 4.18Å; F167-L201 HydrophobicContact CE2-CD1 4.12Å
168S84.9Confident85.9Confident10 Ų1049 Ų497%0.0725%0.252CS..Hα-helixtrans-64.5-41.6175.4-60.40000112.1G164 I165 L166 A171 L172G164-S168 PolarHBondContact O-N 2.97Å; G164-S168 VanDerWaalsContact O-N 3.12Å; G164-S168 PolarHBondContact O-OG 3.37Å; I165-S168 WeakPolarHBondContact O-CB 3.36Å; I165-S168 PolarHBondContact O-N 2.92Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 3.11Å; S168-A171 PolarHBondContact O-N 3.22Å; S168-L172 WeakPolarHBondContact O-CG 3.49Å; S168-L172 PolarHBondContact O-N 3.01Å
169L86.9Confident85.9Confident42 Ų4252.1 Ų52.122%0.2227%0.273CS..Hα-helixtrans-64.6-44.2176.7-169.180.6000111.3L125 I126 I165 L166 L172 W173L125-L169 HydrophobicContact CB-CD1 4.23Å; I126-L169 HydrophobicContact CD1-CD1 4.19Å; I126-L169 HydrophobicContact CG1-CD1 3.57Å; I126-L169 HydrophobicContact CG1-CD2 4.06Å; I126-L169 HydrophobicContact CG1-CG 4.48Å; I165-L169 WeakPolarHBondContact O-CB 3.42Å; I165-L169 PolarHBondContact O-N 3.03Å; L166-L169 PolarHBondContact O-N 3.49Å; L169-L172 PolarHBondContact O-N 3.15Å; L169-W173 WeakPolarHBondContact O-CB 3.39Å; L169-W173 PolarHBondContact O-N 3.26Å
170L88.3Confident85.9Confident93 Ų9351.9 Ų51.949%0.48728%0.275SS..Hα-helixtrans-60.8-48.3176.4-176.165.4000110.3L166 F167 L172 W173 L174L166-L170 WeakPolarHBondContact O-CB 3.34Å; L166-L170 PolarHBondContact O-N 2.86Å; F167-L170 PolarHBondContact O-N 3.12Å; L170-L172 PolarHBondContact O-N 3.47Å; L170-W173 PolarHBondContact O-N 3.22Å; L170-W173 VanDerWaalsContact O-N 3.16Å; L170-L174 HydrophobicContact CD1-CD1 3.3Å; L170-L174 HydrophobicContact CG-CD1 3.59Å; L170-L174 WeakPolarHBondContact O-CD1 3.2Å; L170-L174 PolarHBondContact O-N 3.28Å
171A86.8Confident85.9Confident6 Ų660.8 Ų60.85%0.0531%0.31CS..Hα-helixtrans-60.6-43.817800000113F167 S168 W173 L174 S175 L190 S194F167-A171 WeakPolarHBondContact O-CB 3.47Å; F167-A171 PolarHBondContact O-N 3.18Å; S168-A171 PolarHBondContact O-N 3.22Å; A171-W173 VanDerWaalsContact C-N 3.32Å; A171-W173 PolarHBondContact O-N 3.01Å; A171-L174 PolarHBondContact O-N 3.31Å; A171-S175 WeakPolarHBondContact O-CB 3.46Å; A171-S175 PolarHBondContact O-N 3.25Å; A171-L190 HydrophobicContact CB-CB 4.27Å; A171-L190 WeakPolarHBondContact CB-O 3.37Å; A171-S194 WeakPolarHBondContact CB-OG 3.46Å
172L82.9Confident86Confident4 Ų468.3 Ų68.32%0.02134%0.338CS..Hα-helixtrans-63.1-39175-73.4170.5000111.9H118 V121 M122 L125 S168 L169 L170 N176H118-L172 PolarHBondContact CE1-O 2.9Å; H118-L172 VanDerWaalsContact CE1-O 3.25Å; H118-L172 PolarHBondContact NE2-O 2.89Å; V121-L172 HydrophobicContact CG1-CD1 3.91Å; M122-L172 HydrophobicContact CE-CB 4.04Å; L125-L172 HydrophobicContact CD1-CD1 3.38Å; S168-L172 WeakPolarHBondContact O-CG 3.49Å; S168-L172 PolarHBondContact O-N 3.01Å; L169-L172 PolarHBondContact O-N 3.15Å; L170-L172 PolarHBondContact O-N 3.47Å; L172-N176 PolarHBondContact O-N 3.28Å
173W85Confident86Confident131 Ų13173.4 Ų73.450%0.49636%0.36SS..Hα-helixtrans-67.7-43.7177.8-178.391.2000112.4M122 L169 L170 A171M122-W173 VanDerWaalsContact CE-CA 3.44Å; M122-W173 HydrophobicContact CE-CB 3.66Å; M122-W173 HydrophobicContact CE-CG 4.42Å; L169-W173 WeakPolarHBondContact O-CB 3.39Å; L169-W173 PolarHBondContact O-N 3.26Å; L170-W173 PolarHBondContact O-N 3.22Å; L170-W173 VanDerWaalsContact O-N 3.16Å; A171-W173 VanDerWaalsContact C-N 3.32Å; A171-W173 PolarHBondContact O-N 3.01Å
174L85.8Confident85.8Confident44 Ų4476 Ų7623%0.2338%0.375CS..Hα-helixtrans-71.3-36.4176.8-84.795.9000112.1L170 A171 N176 R177 L187 L190L170-L174 HydrophobicContact CD1-CD1 3.3Å; L170-L174 HydrophobicContact CG-CD1 3.59Å; L170-L174 WeakPolarHBondContact O-CD1 3.2Å; L170-L174 PolarHBondContact O-N 3.28Å; A171-L174 PolarHBondContact O-N 3.31Å; L174-N176 PolarHBondContact O-N 2.89Å; L174-R177 VanDerWaalsContact O-CB 3.32Å; L174-R177 WeakPolarHBondContact O-CB 3.23Å; L174-R177 PolarHBondContact O-N 3.44Å; L174-L187 HydrophobicContact CB-CD1 4.2Å; L174-L187 HydrophobicContact CD2-CD1 3.98Å; L174-L190 HydrophobicContact CB-CD1 3.51Å; L174-L190 HydrophobicContact CD2-CD1 3.66Å; L174-L190 HydrophobicContact CG-CD1 4.16Å
175S82.8Confident85.6Confident9 Ų980 Ų806%0.06339%0.39CS..Hα-helixtrans-61.6-25.2178.4-179.90000112.8A171 R177 H188A171-S175 WeakPolarHBondContact O-CB 3.46Å; A171-S175 PolarHBondContact O-N 3.25Å; S175-R177 VanDerWaalsContact C-N 3.34Å; S175-H188 PolarHBondContact O-CE1 3.14Å; S175-H188 PolarHBondContact O-ND1 3.41Å; S175-H188 VanDerWaalsContact O-ND1 3.12Å; S175-H188 PolarHBondContact OG-ND1 3.07Å
176N78.7Confident85.7Confident105 Ų10579.8 Ų79.856%0.56139%0.392SS*.THydrogen-bonded Turntrans-87.51.3177.8-161.333.7000113.9L172 L174L172-N176 PolarHBondContact O-N 3.28Å; L174-N176 PolarHBondContact O-N 2.89Å
177R83.1Confident85.6Confident130 Ų13077.4 Ų77.449%0.49138%0.379SS..SBendtrans-74.9146.5174.1-67.3-67-166.9149.43.2110.7L174 S175L174-R177 VanDerWaalsContact O-CB 3.32Å; L174-R177 WeakPolarHBondContact O-CB 3.23Å; L174-R177 PolarHBondContact O-N 3.44Å; S175-R177 VanDerWaalsContact C-N 3.34Å
178P82.9Confident85.4Confident99 Ų9975 Ų7564%0.64337%0.369SS*.PPolyproline II helixtrans-62.8151.3176.127.4-34.4000110.9
179P86.3Confident85.5Confident71 Ų7179 Ų7946%0.46138%0.383SS..PPolyproline II helixtrans-55.6145.2174.9-23.833.7000112.4T184P179-T184 WeakPolarHBondContact CB-O 3.49Å
180T89.1Confident85.5Confident76 Ų7679.5 Ų79.547%0.46639%0.386SS..  trans-111.5170.7177.963.60000110.1R182 F183 T184T180-R182 VanDerWaalsContact C-N 3.3Å; T180-R182 PolarHBondContact O-N 3.48Å; T180-F183 PolarHBondContact N-O 3.25Å; T180-F183 VanDerWaalsContact N-O 3.13Å; T180-F183 CarbonylContact O-C 3.14Å; T180-F183 PolarHBondContact O-N 3.03Å; T180-F183 VanDerWaalsContact O-O 3.09Å; T180-F183 PolarHBondContact OG1-N 3.25Å; T180-F183 VanDerWaalsContact OG1-N 3.16Å; T180-T184 PolarHBondContact O-N 3.5Å
181K87.6Confident85.3Confident209 Ų20975.7 Ų75.791%0.90937%0.365SS*.SBendtrans-61.9-34.5178.1-66.8-174.5179.6-178.20113.3
182R87.1Confident85.3Confident160 Ų16075.5 Ų75.560%0.60436%0.364SS*.SBendtrans-78.8-38.5175-60.3-167.8-154.7-146.45.3111.9L23 D25 T180L23-R182 PolarHBondContact O-NH2 3.5Å; L23-R182 VanDerWaalsContact O-NH2 3.15Å; D25-R182 PolarHBondContact O-NH1 2.87Å; D25-R182 PolarHBondContact O-NH2 3.16Å; T180-R182 VanDerWaalsContact C-N 3.3Å; T180-R182 PolarHBondContact O-N 3.48Å
183F88Confident85.5Confident117 Ų11779.1 Ų79.151%0.51339%0.386SS..  trans-109.781179.6-57.8-72.9000111.1T180 F185 G186 L187T180-F183 PolarHBondContact N-O 3.25Å; T180-F183 VanDerWaalsContact N-O 3.13Å; T180-F183 CarbonylContact O-C 3.14Å; T180-F183 PolarHBondContact O-N 3.03Å; T180-F183 VanDerWaalsContact O-O 3.09Å; T180-F183 PolarHBondContact OG1-N 3.25Å; T180-F183 VanDerWaalsContact OG1-N 3.16Å; F183-F185 VanDerWaalsContact C-N 3.34Å; F183-F185 PolarHBondContact O-N 3.06Å; F183-G186 PolarHBondContact O-N 3.26Å; F183-L187 HydrophobicContact CB-CD2 4.28Å; F183-L187 HydrophobicContact CD1-CD2 4.08Å; F183-L187 HydrophobicContact CD2-CD2 3.85Å; F183-L187 HydrophobicContact CE1-CD2 4.38Å; F183-L187 HydrophobicContact CE2-CD2 4.16Å; F183-L187 HydrophobicContact CG-CD2 3.81Å; F183-L187 HydrophobicContact CZ-CD2 4.41Å
184T86.3Confident85.5Confident99 Ų9973.2 Ų73.261%0.60736%0.364SS*.THydrogen-bonded Turntrans-65.6-31.8-173530000113.9P179 T180 G186P179-T184 WeakPolarHBondContact CB-O 3.49Å; T180-T184 PolarHBondContact O-N 3.5Å; T184-G186 VanDerWaalsContact C-N 3.32Å
185F82.7Confident85.4Confident95 Ų9571.3 Ų71.342%0.41736%0.355SS..THydrogen-bonded Turntrans-84.1-6.5174.4-74-78.6000113.8F183 H188 L387F183-F185 VanDerWaalsContact C-N 3.34Å; F183-F185 PolarHBondContact O-N 3.06Å; F185-H188 PolarHBondContact O-CD2 3.18Å; F185-H188 VanDerWaalsContact O-CD2 3.32Å; F185-L387 HydrophobicContact CB-CD2 4.13Å; F185-L387 HydrophobicContact CD1-CD2 4.49Å
186G87.7Confident85.6Confident13 Ų1374.2 Ų74.213%0.13437%0.372CS..  trans82179.6-168.900000112.9F183 T184 H188F183-G186 PolarHBondContact O-N 3.26Å; T184-G186 VanDerWaalsContact C-N 3.32Å; G186-H188 VanDerWaalsContact C-N 3.26Å; G186-H188 PolarHBondContact O-N 3.07Å
187L86.3Confident86Confident39 Ų3972 Ų7220%0.20436%0.36CS..SBendtrans-91.530.9-174.7-66.8173.7000113.2L174 F183 R189 L190L174-L187 HydrophobicContact CB-CD1 4.2Å; L174-L187 HydrophobicContact CD2-CD1 3.98Å; F183-L187 HydrophobicContact CB-CD2 4.28Å; F183-L187 HydrophobicContact CD1-CD2 4.08Å; F183-L187 HydrophobicContact CD2-CD2 3.85Å; F183-L187 HydrophobicContact CE1-CD2 4.38Å; F183-L187 HydrophobicContact CE2-CD2 4.16Å; F183-L187 HydrophobicContact CG-CD2 3.81Å; F183-L187 HydrophobicContact CZ-CD2 4.41Å; L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.49Å; L187-L190 HydrophobicContact CB-CD1 3.85Å; L187-L190 HydrophobicContact CB-CG 4.24Å; L187-L190 HydrophobicContact CD1-CD1 4.21Å; L187-L190 HydrophobicContact CD2-CD1 4.28Å; L187-L190 HydrophobicContact CG-CD1 4.35Å; L187-L190 WeakPolarHBondContact O-CB 3.28Å; L187-L190 PolarHBondContact O-N 3.07Å
188H84.4Confident86.1Confident24 Ų2466.7 Ų66.711%0.11134%0.343CS..THydrogen-bonded Turntrans-64.9-33.6-175.3-65-45000113.1S175 F185 G186 L190 E191 L387 T388 K391S175-H188 PolarHBondContact O-CE1 3.14Å; S175-H188 PolarHBondContact O-ND1 3.41Å; S175-H188 VanDerWaalsContact O-ND1 3.12Å; S175-H188 PolarHBondContact OG-ND1 3.07Å; F185-H188 PolarHBondContact O-CD2 3.18Å; F185-H188 VanDerWaalsContact O-CD2 3.32Å; G186-H188 VanDerWaalsContact C-N 3.26Å; G186-H188 PolarHBondContact O-N 3.07Å; H188-L190 PolarHBondContact O-N 2.79Å; H188-L190 VanDerWaalsContact O-N 3.12Å; H188-E191 PolarHBondContact O-N 2.92Å; H188-L387 HydrophobicContact CB-CD2 4.25Å; H188-T388 HydrophobicContact CB-CG2 3.81Å; H188-T388 WeakPolarHBondContact O-CG2 3.28Å; H188-K391 PolarHBondContact CE1-NZ 3.48Å; H188-K391 PolarHBondContact ND1-NZ 3.02Å; H188-K391 PolarHBondContact NE2-NZ 3.05Å
189R87.6Confident86.2Confident92 Ų9262.5 Ų62.535%0.34732%0.315SS..THydrogen-bonded Turntrans-63.4-16.2177.3-67.8-171.3-179.2-171.53.4113.4L187 E191 V192 V193 E355 L387L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 3.49Å; R189-E191 PolarHBondContact O-N 3.4Å; R189-V192 WeakPolarHBondContact O-CB 3.39Å; R189-V192 PolarHBondContact O-N 2.85Å; R189-V192 VanDerWaalsContact O-N 3.07Å; R189-V193 WeakPolarHBondContact O-CG2 3.47Å; R189-V193 PolarHBondContact O-N 3.04Å; R189-V193 VanDerWaalsContact O-N 3.08Å; R189-E355 IonicContact CZ-OE1 2.85Å; R189-E355 IonicContact NH1-OE1 3.52Å; R189-E355 PolarHBondContact NH1-OE1 3.36Å; R189-E355 IonicContact NH2-OE1 2.9Å; R189-E355 PolarHBondContact NH2-OE1 2.99Å; R189-L387 HydrophobicContact CG-CG 4.4Å
190L86.3Confident86.4Confident54 Ų5463.5 Ų63.528%0.28332%0.316SS..Hα-helixtrans-62.2-28.6176.3-71.7-178.9000113A171 L174 L187 H188 V192 V193 S194A171-L190 HydrophobicContact CB-CB 4.27Å; A171-L190 WeakPolarHBondContact CB-O 3.37Å; L174-L190 HydrophobicContact CB-CD1 3.51Å; L174-L190 HydrophobicContact CD2-CD1 3.66Å; L174-L190 HydrophobicContact CG-CD1 4.16Å; L187-L190 HydrophobicContact CB-CD1 3.85Å; L187-L190 HydrophobicContact CB-CG 4.24Å; L187-L190 HydrophobicContact CD1-CD1 4.21Å; L187-L190 HydrophobicContact CD2-CD1 4.28Å; L187-L190 HydrophobicContact CG-CD1 4.35Å; L187-L190 WeakPolarHBondContact O-CB 3.28Å; L187-L190 PolarHBondContact O-N 3.07Å; H188-L190 PolarHBondContact O-N 2.79Å; H188-L190 VanDerWaalsContact O-N 3.12Å; L190-V192 PolarHBondContact O-N 3.17Å; L190-V193 PolarHBondContact O-N 3.46Å; L190-S194 PolarHBondContact O-N 2.81Å; L190-S194 PolarHBondContact O-OG 3.04Å
191E83.9Confident86.3Confident13 Ų1362 Ų626%0.06131%0.305CS..Hα-helixtrans-58.9-42173.8-174.4-179.3173.600111.1H188 R189 S194 A195 S290 L291 A292H188-E191 PolarHBondContact O-N 2.92Å; R189-E191 PolarHBondContact O-N 3.4Å; E191-S194 PolarHBondContact O-OG 2.99Å; E191-A195 PolarHBondContact O-N 3.37Å; E191-A195 VanDerWaalsContact O-N 3.14Å; E191-S290 WeakPolarHBondContact OE1-CB 3.32Å; E191-S290 PolarHBondContact OE1-OG 3.47Å; E191-L291 PolarHBondContact OE1-N 2.89Å; E191-A292 HydrophobicContact CG-CB 4.14Å; E191-A292 PolarHBondContact OE1-N 3.35Å
192V86.6Confident86.1Confident2 Ų253.2 Ų53.21%0.01227%0.268CS..Hα-helixtrans-70.2-43.9179.4-175.40000110.1R189 L190 S194 A195 V196 T349 I352 V353 T388R189-V192 WeakPolarHBondContact O-CB 3.39Å; R189-V192 PolarHBondContact O-N 2.85Å; R189-V192 VanDerWaalsContact O-N 3.07Å; L190-V192 PolarHBondContact O-N 3.17Å; V192-S194 PolarHBondContact O-N 3.26Å; V192-A195 WeakPolarHBondContact O-CB 3.5Å; V192-A195 PolarHBondContact O-N 3.08Å; V192-V196 PolarHBondContact O-N 3.19Å; V192-T349 HydrophobicContact CG1-CG2 3.59Å; V192-I352 HydrophobicContact CB-CG2 4.49Å; V192-I352 HydrophobicContact CG1-CB 4.14Å; V192-I352 HydrophobicContact CG1-CG2 4.06Å; V192-I352 HydrophobicContact CG2-CB 4.49Å; V192-I352 HydrophobicContact CG2-CD1 4.42Å; V192-I352 HydrophobicContact CG2-CG2 3.72Å; V192-V353 HydrophobicContact CG1-CG2 3.81Å; V192-T388 HydrophobicContact CG2-CG2 4.46Å
193V86.9Confident86.3Confident80 Ų8048.8 Ų48.849%0.48525%0.251SS..Hα-helixtrans-61.8-43.5177176.70000111.5R189 L190 A195 V196 L197R189-V193 WeakPolarHBondContact O-CG2 3.47Å; R189-V193 PolarHBondContact O-N 3.04Å; R189-V193 VanDerWaalsContact O-N 3.08Å; L190-V193 PolarHBondContact O-N 3.46Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.12Å; V193-V196 PolarHBondContact O-N 2.87Å; V193-L197 PolarHBondContact O-N 3.45Å
194S86.4Confident86.4Confident7 Ų748 Ų485%0.04925%0.251CS..Hα-helixtrans-62-38.2175.255.40000112.1A171 L190 E191 V192 V196 L197 S198A171-S194 WeakPolarHBondContact CB-OG 3.46Å; L190-S194 PolarHBondContact O-N 2.81Å; L190-S194 PolarHBondContact O-OG 3.04Å; E191-S194 PolarHBondContact O-OG 2.99Å; V192-S194 PolarHBondContact O-N 3.26Å; S194-V196 PolarHBondContact O-N 3.4Å; S194-L197 PolarHBondContact O-N 3.15Å; S194-S198 WeakPolarHBondContact O-CB 3.41Å; S194-S198 PolarHBondContact O-N 2.87Å; S194-S198 PolarHBondContact O-OG 3.44Å; S194-S198 VanDerWaalsContact O-OG 3.05Å
195A83.2Confident86.5Confident4 Ų444 Ų443%0.03323%0.227CC..Hα-helixtrans-64.6-40.1177.100000112E191 V192 V193 V199 L291E191-A195 PolarHBondContact O-N 3.37Å; E191-A195 VanDerWaalsContact O-N 3.14Å; V192-A195 WeakPolarHBondContact O-CB 3.5Å; V192-A195 PolarHBondContact O-N 3.08Å; V193-A195 VanDerWaalsContact C-N 3.29Å; V193-A195 PolarHBondContact O-N 3.12Å; A195-V199 VanDerWaalsContact O-CG2 3.32Å; A195-V199 WeakPolarHBondContact O-CG2 3.11Å; A195-V199 PolarHBondContact O-N 3.04Å; A195-V199 VanDerWaalsContact O-N 3.07Å; A195-L291 HydrophobicContact CB-CD2 4.44Å
196V86.4Confident86.8Confident70 Ų7040 Ų4042%0.42421%0.21SC..Hα-helixtrans-59.4-48.9172.3179.50000110.7V192 V193 S194 S198 V199 L200 T349V192-V196 PolarHBondContact O-N 3.19Å; V193-V196 PolarHBondContact O-N 2.87Å; S194-V196 PolarHBondContact O-N 3.4Å; V196-S198 PolarHBondContact O-N 2.89Å; V196-V199 PolarHBondContact O-N 3.49Å; V196-L200 WeakPolarHBondContact O-CB 3.12Å; V196-L200 PolarHBondContact O-N 3.47Å; V196-T349 HydrophobicContact CB-CG2 4.46Å; V196-T349 HydrophobicContact CG2-CG2 3.13Å
197L86.6Confident87Confident58 Ų5841.2 Ų41.230%0.30422%0.223SC..Hα-helixtrans-62.8-43.4-176.7-175.759.8000111.5F167 V193 S194 V199 L200 L201F167-L197 HydrophobicContact CB-CD2 4.45Å; F167-L197 HydrophobicContact CD1-CD2 3.78Å; F167-L197 HydrophobicContact CD2-CD2 3.49Å; F167-L197 VanDerWaalsContact CD2-CD2 3.49Å; F167-L197 HydrophobicContact CD2-CG 3.96Å; F167-L197 HydrophobicContact CE1-CD2 3.79Å; F167-L197 HydrophobicContact CE2-CD2 3.46Å; F167-L197 VanDerWaalsContact CE2-CD2 3.46Å; F167-L197 HydrophobicContact CE2-CG 4.01Å; F167-L197 HydrophobicContact CG-CD2 3.66Å; F167-L197 HydrophobicContact CG-CG 4.48Å; F167-L197 HydrophobicContact CZ-CD2 3.63Å; V193-L197 PolarHBondContact O-N 3.45Å; S194-L197 PolarHBondContact O-N 3.15Å; L197-V199 PolarHBondContact O-N 2.78Å; L197-L200 PolarHBondContact O-N 2.75Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 3.35Å
198S85.6Confident87.1Confident19 Ų1942.7 Ų42.713%0.13323%0.233CC..Hα-helixtrans-60.2-45.4174.7-61.30000111.7G164 S194 V196 L200 L201 I202G164-S198 PolarHBondContact O-OG 2.94Å; S194-S198 WeakPolarHBondContact O-CB 3.41Å; S194-S198 PolarHBondContact O-N 2.87Å; S194-S198 PolarHBondContact O-OG 3.44Å; S194-S198 VanDerWaalsContact O-OG 3.05Å; V196-S198 PolarHBondContact O-N 2.89Å; S198-L200 VanDerWaalsContact C-N 3.33Å; S198-L200 PolarHBondContact O-N 2.76Å; S198-L201 PolarHBondContact O-N 3.02Å; S198-I202 WeakPolarHBondContact O-CG1 3.38Å; S198-I202 PolarHBondContact O-N 2.98Å; S198-I202 VanDerWaalsContact O-N 3.12Å
199V86.1Confident87.2Confident10 Ų1042.8 Ų42.86%0.06123%0.234CC..Hα-helixtrans-66-36.1177.9176.90000112.1A195 V196 L197 L201 I202 Y203 T342 I345 I346A195-V199 VanDerWaalsContact O-CG2 3.32Å; A195-V199 WeakPolarHBondContact O-CG2 3.11Å; A195-V199 PolarHBondContact O-N 3.04Å; A195-V199 VanDerWaalsContact O-N 3.07Å; V196-V199 PolarHBondContact O-N 3.49Å; L197-V199 PolarHBondContact O-N 2.78Å; V199-L201 VanDerWaalsContact C-N 3.35Å; V199-I202 WeakPolarHBondContact O-CB 3.4Å; V199-I202 PolarHBondContact O-N 3.28Å; V199-Y203 HydrophobicContact CG1-CD1 4.42Å; V199-Y203 HydrophobicContact CG1-CE1 4.14Å; V199-Y203 PolarHBondContact O-N 3.43Å; V199-Y203 VanDerWaalsContact O-N 3.07Å; V199-T342 HydrophobicContact CG1-CG2 4.45Å; V199-I345 HydrophobicContact CG2-CG2 4Å; V199-I346 HydrophobicContact CB-CG1 4.47Å; V199-I346 HydrophobicContact CG1-CD1 3.63Å; V199-I346 HydrophobicContact CG1-CG1 3.59Å
200L89Confident87.3Confident93 Ų9340.9 Ų40.949%0.48723%0.23SC..Hα-helixtrans-62.5-41.8174.5-179.463.8000111.7V196 L197 S198 I202 Y203 I204V196-L200 WeakPolarHBondContact O-CB 3.12Å; V196-L200 PolarHBondContact O-N 3.47Å; L197-L200 PolarHBondContact O-N 2.75Å; S198-L200 VanDerWaalsContact C-N 3.33Å; S198-L200 PolarHBondContact O-N 2.76Å; L200-I202 VanDerWaalsContact C-N 3.33Å; L200-I202 PolarHBondContact O-N 2.75Å; L200-Y203 PolarHBondContact O-N 3.2Å; L200-Y203 VanDerWaalsContact O-N 3.15Å; L200-I204 HydrophobicContact CG-CD1 4.19Å; L200-I204 WeakPolarHBondContact O-CG1 3.32Å; L200-I204 PolarHBondContact O-N 3.43Å
201L87Confident87.5Confident44 Ų4446 Ų4623%0.2325%0.247CC..Hα-helixtrans-60.9-41.9175.1-70.1172.7000111.7V163 F167 L197 S198 V199 Y203 I204 L205V163-L201 HydrophobicContact CB-CD1 4.43Å; V163-L201 HydrophobicContact CG1-CD1 3.71Å; F167-L201 HydrophobicContact CD2-CD1 4.18Å; F167-L201 HydrophobicContact CE2-CD1 4.12Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 3.35Å; S198-L201 PolarHBondContact O-N 3.02Å; V199-L201 VanDerWaalsContact C-N 3.35Å; L201-Y203 VanDerWaalsContact C-N 3.27Å; L201-Y203 PolarHBondContact O-N 2.68Å; L201-I204 PolarHBondContact O-N 2.94Å; L201-L205 WeakPolarHBondContact O-CB 3.46Å; L201-L205 PolarHBondContact O-N 2.82Å
202I85.1Confident87.6Confident24 Ų2447.5 Ų47.512%0.12325%0.254CS..Hα-helixtrans-58.8-40.9174.4-63.4166.6000110.8S198 V199 L200 L205 T206 H299 V338S198-I202 WeakPolarHBondContact O-CG1 3.38Å; S198-I202 PolarHBondContact O-N 2.98Å; S198-I202 VanDerWaalsContact O-N 3.12Å; V199-I202 WeakPolarHBondContact O-CB 3.4Å; V199-I202 PolarHBondContact O-N 3.28Å; L200-I202 VanDerWaalsContact C-N 3.33Å; L200-I202 PolarHBondContact O-N 2.75Å; I202-L205 PolarHBondContact O-N 3.5Å; I202-T206 VanDerWaalsContact O-CB 3.29Å; I202-T206 WeakPolarHBondContact O-CB 3.46Å; I202-T206 PolarHBondContact O-N 3.04Å; I202-T206 PolarHBondContact O-OG1 3.39Å; I202-H299 WeakPolarHBondContact CD1-ND1 3.12Å; I202-V338 HydrophobicContact CG2-CG1 3.46Å; I202-V338 VanDerWaalsContact CG2-CG1 3.46Å
203Y90.2Very high87.7Confident67 Ų6747.6 Ų47.626%0.26326%0.255SS..Hα-helixtrans-69-40.5-179.6-79.513.8000112.4V199 L200 L201 G207 L339 T342 I346V199-Y203 HydrophobicContact CG1-CD1 4.42Å; V199-Y203 HydrophobicContact CG1-CE1 4.14Å; V199-Y203 PolarHBondContact O-N 3.43Å; V199-Y203 VanDerWaalsContact O-N 3.07Å; L200-Y203 PolarHBondContact O-N 3.2Å; L200-Y203 VanDerWaalsContact O-N 3.15Å; L201-Y203 VanDerWaalsContact C-N 3.27Å; L201-Y203 PolarHBondContact O-N 2.68Å; Y203-G207 PolarHBondContact O-N 2.96Å; Y203-L339 HydrophobicContact CD1-CD2 4.14Å; Y203-L339 HydrophobicContact CE1-CD2 3.76Å; Y203-L339 HydrophobicContact CE2-CD2 4.36Å; Y203-T342 HydrophobicContact CE1-CG2 4.26Å; Y203-T342 WeakPolarHBondContact CE1-OG1 3.29Å; Y203-T342 PolarHBondContact OH-OG1 3.05Å; Y203-I346 HydrophobicContact CE1-CD1 4.48Å; Y203-I346 HydrophobicContact CE2-CD1 3.54Å; Y203-I346 VanDerWaalsContact OH-CD1 3.23Å; Y203-I346 WeakPolarHBondContact OH-CD1 3.22Å
204I91.1Very high87.9Confident100 Ų10047.2 Ų47.251%0.51325%0.253SS..Hα-helixtrans-60.6-49.8174.3-67.1166.7000109.5L200 L201 G207 V208L200-I204 HydrophobicContact CG-CD1 4.19Å; L200-I204 WeakPolarHBondContact O-CG1 3.32Å; L200-I204 PolarHBondContact O-N 3.43Å; L201-I204 PolarHBondContact O-N 2.94Å; I204-G207 PolarHBondContact O-N 3.21Å; I204-V208 WeakPolarHBondContact O-CG2 3.35Å; I204-V208 PolarHBondContact O-N 3.27Å
205L88.4Confident87.9Confident16 Ų1650.7 Ų50.78%0.08427%0.27CS..Hα-helixtrans-61.2-46.4179.3-179.561.5000112.4H157 A160 L201 I202 G207 V208 L209H157-L205 HydrophobicContact CB-CD1 4.13Å; H157-L205 HydrophobicContact CB-CD2 4.19Å; H157-L205 WeakPolarHBondContact ND1-CD2 3.42Å; A160-L205 HydrophobicContact CB-CD2 3.85Å; L201-L205 WeakPolarHBondContact O-CB 3.46Å; L201-L205 PolarHBondContact O-N 2.82Å; I202-L205 PolarHBondContact O-N 3.5Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 2.95Å; L205-V208 PolarHBondContact O-N 3.48Å; L205-V208 VanDerWaalsContact O-N 3.13Å; L205-L209 HydrophobicContact CD1-CG 4.49Å; L205-L209 HydrophobicContact CG-CD1 4.36Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 2.98Å
206T88.9Confident87.9Confident11 Ų1152.8 Ų52.87%0.06728%0.278CS..Hα-helixtrans-58.7-41.3175.4-56.80000110.9I202 L209 L210I202-T206 VanDerWaalsContact O-CB 3.29Å; I202-T206 WeakPolarHBondContact O-CB 3.46Å; I202-T206 PolarHBondContact O-N 3.04Å; I202-T206 PolarHBondContact O-OG1 3.39Å; T206-L209 PolarHBondContact O-N 2.99Å; T206-L210 HydrophobicContact CG2-CD1 4.24Å; T206-L210 HydrophobicContact CG2-CG 4.49Å; T206-L210 WeakPolarHBondContact O-CB 3.22Å; T206-L210 WeakPolarHBondContact O-CG 3.43Å; T206-L210 PolarHBondContact O-N 3.45Å
207G91.4Very high87.9Confident39 Ų3951.8 Ų51.840%0.40227%0.271SS..Hα-helixtrans-62.3-41.8175.400000113Y203 I204 L205 Y211Y203-G207 PolarHBondContact O-N 2.96Å; I204-G207 PolarHBondContact O-N 3.21Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 2.95Å; G207-Y211 WeakPolarHBondContact O-CB 3.33Å; G207-Y211 PolarHBondContact O-N 3.42Å
208V88.9Confident88Confident70 Ų7054 Ų5442%0.42429%0.287SS..Hα-helixtrans-64-47.4175.2173.50000111I204 L205 L210 Y211 E212I204-V208 WeakPolarHBondContact O-CG2 3.35Å; I204-V208 PolarHBondContact O-N 3.27Å; L205-V208 PolarHBondContact O-N 3.48Å; L205-V208 VanDerWaalsContact O-N 3.13Å; V208-L210 PolarHBondContact O-N 2.89Å; V208-Y211 WeakPolarHBondContact O-CB 3.35Å; V208-Y211 PolarHBondContact O-N 2.72Å; V208-E212 PolarHBondContact O-N 2.82Å
209L86.3Confident87.8Confident26 Ų2658.5 Ų58.514%0.13631%0.306CS..Hα-helixtrans-63.5-39.5178.6-67.8177.1000112.4L205 T206 E212 A213 T331L205-L209 HydrophobicContact CD1-CG 4.49Å; L205-L209 HydrophobicContact CG-CD1 4.36Å; L205-L209 WeakPolarHBondContact O-CG 3.42Å; L205-L209 PolarHBondContact O-N 2.98Å; T206-L209 PolarHBondContact O-N 2.99Å; L209-E212 PolarHBondContact O-N 3.48Å; L209-A213 WeakPolarHBondContact O-CB 3.35Å; L209-A213 PolarHBondContact O-N 3.44Å; L209-T331 HydrophobicContact CB-CG2 4.14Å
210L90.1Very high87.2Confident51 Ų5162.7 Ų62.727%0.26733%0.325SS..Hα-helixtrans-63.3-43.9173.3-80.9176.1000111.9T206 V208 E212 A213 V214 Y332 S335T206-L210 HydrophobicContact CG2-CD1 4.24Å; T206-L210 HydrophobicContact CG2-CG 4.49Å; T206-L210 WeakPolarHBondContact O-CB 3.22Å; T206-L210 WeakPolarHBondContact O-CG 3.43Å; T206-L210 PolarHBondContact O-N 3.45Å; V208-L210 PolarHBondContact O-N 2.89Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 2.94Å; L210-A213 PolarHBondContact O-N 3.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 3.19Å; L210-Y332 HydrophobicContact CD2-CD1 3.57Å; L210-Y332 HydrophobicContact CD2-CE1 4.08Å; L210-S335 WeakPolarHBondContact CD2-OG 3.21Å; L210-S335 WeakPolarHBondContact CG-OG 3.48Å
211Y90.3Very high85.9Confident161 Ų16165.9 Ų65.963%0.63134%0.342SS*.Hα-helixtrans-60-44.5176.7175.8-100000111.3G207 V208 V214 L215G207-Y211 WeakPolarHBondContact O-CB 3.33Å; G207-Y211 PolarHBondContact O-N 3.42Å; V208-Y211 WeakPolarHBondContact O-CB 3.35Å; V208-Y211 PolarHBondContact O-N 2.72Å; Y211-V214 PolarHBondContact O-N 2.82Å; Y211-L215 PolarHBondContact O-N 3.44Å
212E86.2Confident84.9Confident46 Ų4665.7 Ų65.722%0.21534%0.34CS..Hα-helixtrans-63.3-42.8174-75.6-158.4-167.800113.1T153 V208 L209 L210 V214 L215 R216T153-E212 VanDerWaalsContact CG2-OE1 3.22Å; T153-E212 WeakPolarHBondContact CG2-OE1 3.31Å; T153-E212 WeakPolarHBondContact CG2-OE2 3.33Å; V208-E212 PolarHBondContact O-N 2.82Å; L209-E212 PolarHBondContact O-N 3.48Å; L210-E212 VanDerWaalsContact C-N 3.33Å; L210-E212 PolarHBondContact O-N 2.94Å; E212-V214 VanDerWaalsContact C-N 3.3Å; E212-V214 PolarHBondContact O-N 3.38Å; E212-L215 WeakPolarHBondContact O-CB 3.46Å; E212-L215 PolarHBondContact O-N 3.06Å; E212-R216 WeakPolarHBondContact O-CG 3.13Å; E212-R216 PolarHBondContact O-N 3.12Å; E212-R216 IonicContact OE2-CZ 3.52Å; E212-R216 IonicContact OE2-NH2 3.35Å; E212-R216 PolarHBondContact OE2-NH2 3.31Å
213A87.3Confident83.7Confident3 Ų372.3 Ų72.33%0.02538%0.375CS..Hα-helixtrans-61.3-39.4177.800000111.9L209 L210 R216 T217 P328 T331 Y332L209-A213 WeakPolarHBondContact O-CB 3.35Å; L209-A213 PolarHBondContact O-N 3.44Å; L210-A213 PolarHBondContact O-N 3.35Å; A213-R216 PolarHBondContact O-N 2.9Å; A213-T217 WeakPolarHBondContact O-CB 3.13Å; A213-T217 PolarHBondContact O-N 3.13Å; A213-T217 PolarHBondContact O-OG1 2.9Å; A213-P328 HydrophobicContact CB-CB 4.27Å; A213-T331 HydrophobicContact CB-CG2 3.97Å; A213-Y332 HydrophobicContact CB-CD1 4.5Å; A213-Y332 HydrophobicContact CB-CE1 3.92Å; A213-Y332 PolarHBondContact O-OH 3.34Å
214V90.6Very high82.5Confident73 Ų7371.4 Ų71.444%0.44237%0.374SS..Hα-helixtrans-64.2-47173.7172.60000110.5L210 Y211 E212 R216 T217 V218 Y332L210-V214 WeakPolarHBondContact O-CG2 3.39Å; L210-V214 PolarHBondContact O-N 3.19Å; Y211-V214 PolarHBondContact O-N 2.82Å; E212-V214 VanDerWaalsContact C-N 3.3Å; E212-V214 PolarHBondContact O-N 3.38Å; V214-R216 VanDerWaalsContact C-N 3.3Å; V214-R216 PolarHBondContact O-N 3.15Å; V214-T217 PolarHBondContact O-N 2.98Å; V214-T217 VanDerWaalsContact O-N 3.15Å; V214-V218 HydrophobicContact CG1-CG2 4.45Å; V214-V218 WeakPolarHBondContact O-CG2 3.28Å; V214-V218 PolarHBondContact O-N 2.93Å; V214-Y332 VanDerWaalsContact CA-OH 3.27Å; V214-Y332 WeakPolarHBondContact CA-OH 3.47Å; V214-Y332 HydrophobicContact CG2-CE1 3.99Å; V214-Y332 WeakPolarHBondContact CG2-OH 3.29Å; V214-Y332 PolarHBondContact N-OH 3.4Å
215L86.9Confident81.6Confident79 Ų7971 Ų7141%0.41437%0.373SS..Hα-helixtrans-58.7-44.3178.8-170.373.4000111.4Y211 E212 V218 H219Y211-L215 PolarHBondContact O-N 3.44Å; E212-L215 WeakPolarHBondContact O-CB 3.46Å; E212-L215 PolarHBondContact O-N 3.06Å; L215-V218 PolarHBondContact O-N 3.37Å; L215-H219 WeakPolarHBondContact CD1-CE1 3.47Å; L215-H219 VanDerWaalsContact CD1-ND1 3.32Å; L215-H219 WeakPolarHBondContact CD1-ND1 3.47Å; L215-H219 PolarHBondContact O-N 3.38Å; L215-H219 PolarHBondContact O-ND1 3.43Å; L215-H219 VanDerWaalsContact O-ND1 3.1Å
216R82.9Confident80.9Confident49 Ų4970.7 Ų70.719%0.18537%0.374CS..Hα-helixtrans-60.5-48.9174.5-70.5177.3-163.3-179.36.6110.6E212 A213 V214 V218 Q220 F222 D327 P328E212-R216 WeakPolarHBondContact O-CG 3.13Å; E212-R216 PolarHBondContact O-N 3.12Å; E212-R216 IonicContact OE2-CZ 3.52Å; E212-R216 IonicContact OE2-NH2 3.35Å; E212-R216 PolarHBondContact OE2-NH2 3.31Å; A213-R216 PolarHBondContact O-N 2.9Å; V214-R216 VanDerWaalsContact C-N 3.3Å; V214-R216 PolarHBondContact O-N 3.15Å; R216-V218 VanDerWaalsContact C-N 3.26Å; R216-V218 PolarHBondContact O-N 3.12Å; R216-Q220 PolarHBondContact O-N 3.4Å; R216-F222 VanDerWaalsContact C-CZ 3.49Å; R216-F222 HydrophobicContact CB-CE1 3.76Å; R216-F222 HydrophobicContact CB-CE2 4.28Å; R216-F222 HydrophobicContact CB-CZ 3.62Å; R216-F222 HydrophobicContact CG-CD1 4.37Å; R216-F222 HydrophobicContact CG-CE1 4.1Å; R216-F222 HydrophobicContact CG-CZ 4.24Å; R216-F222 WeakPolarHBondContact O-CE1 3.43Å; R216-F222 WeakPolarHBondContact O-CZ 3.42Å; R216-D327 IonicContact NH1-OD2 2.9Å; R216-D327 PolarHBondContact NH1-OD2 2.87Å; R216-P328 HydrophobicContact CB-CG 4.04Å
217T87.2Confident80.6Confident48 Ų4873.7 Ų73.729%0.29439%0.39SS..Hα-helixtrans-57.1-39-179.6-54.50000112.7A213 V214 L325 P328 Y332A213-T217 WeakPolarHBondContact O-CB 3.13Å; A213-T217 PolarHBondContact O-N 3.13Å; A213-T217 PolarHBondContact O-OG1 2.9Å; V214-T217 PolarHBondContact O-N 2.98Å; V214-T217 VanDerWaalsContact O-N 3.15Å; T217-L325 HydrophobicContact CG2-CD2 4.16Å; T217-P328 WeakPolarHBondContact OG1-CB 3.32Å; T217-Y332 PolarHBondContact OG1-OH 3.3Å
218V88Confident80Confident104 Ų10474.5 Ų74.563%0.6338%0.384SS*.Hα-helixtrans-81.1-46.6-176.1174.40000113V214 L215 R216V214-V218 HydrophobicContact CG1-CG2 4.45Å; V214-V218 WeakPolarHBondContact O-CG2 3.28Å; V214-V218 PolarHBondContact O-N 2.93Å; L215-V218 PolarHBondContact O-N 3.37Å; R216-V218 VanDerWaalsContact C-N 3.26Å; R216-V218 PolarHBondContact O-N 3.12Å
219H82.8Confident79.6Confident115 Ų11572.1 Ų72.153%0.53237%0.369SS..Hα-helixtrans-85.4-24.6-169.8-6883000113.7L215 D221L215-H219 WeakPolarHBondContact CD1-CE1 3.47Å; L215-H219 VanDerWaalsContact CD1-ND1 3.32Å; L215-H219 WeakPolarHBondContact CD1-ND1 3.47Å; L215-H219 PolarHBondContact O-N 3.38Å; L215-H219 PolarHBondContact O-ND1 3.43Å; L215-H219 VanDerWaalsContact O-ND1 3.1Å; H219-D221 PolarHBondContact O-N 3.05Å
220Q72.3Confident79.6Confident98 Ų9873 Ų7346%0.45837%0.373SS..  trans49-0.8179.7-59.8-136.8-23.800118.4R216 F222R216-Q220 PolarHBondContact O-N 3.4Å; Q220-F222 VanDerWaalsContact CA-CE1 3.44Å; Q220-F222 PolarHBondContact O-N 2.6Å
221D62.6Low79.5Confident159 Ų15975.9 Ų75.985%0.8539%0.388SS*.  trans-90.166.7-178.7-86.4-19.5000112.1H219H219-D221 PolarHBondContact O-N 3.05Å
222F65.1Low79Confident40 Ų4069.8 Ų69.818%0.17537%0.368CS..  trans-134.2123.7171.526.9-83.1000110.5R216 Q220 I224 K324R216-F222 VanDerWaalsContact C-CZ 3.49Å; R216-F222 HydrophobicContact CB-CE1 3.76Å; R216-F222 HydrophobicContact CB-CE2 4.28Å; R216-F222 HydrophobicContact CB-CZ 3.62Å; R216-F222 HydrophobicContact CG-CD1 4.37Å; R216-F222 HydrophobicContact CG-CE1 4.1Å; R216-F222 HydrophobicContact CG-CZ 4.24Å; R216-F222 WeakPolarHBondContact O-CE1 3.43Å; R216-F222 WeakPolarHBondContact O-CZ 3.42Å; Q220-F222 VanDerWaalsContact CA-CE1 3.44Å; Q220-F222 PolarHBondContact O-N 2.6Å; F222-I224 HydrophobicContact CB-CG1 4.3Å; F222-I224 HydrophobicContact CD2-CD1 3.93Å; F222-I224 HydrophobicContact CD2-CG1 4.33Å; F222-K324 PolarHBondContact O-NZ 2.9Å
223D60.2Low79Confident163 Ų16367.8 Ų67.887%0.87236%0.359SS*.  trans-94.2101.8166.8-126.8-8.5000106.9
224I65.6Low79.1Confident48 Ų4869.8 Ų69.825%0.24638%0.376CS..  trans-97122.7178.7-59.2171.4000106.3F222 G226 M229F222-I224 HydrophobicContact CB-CG1 4.3Å; F222-I224 HydrophobicContact CD2-CD1 3.93Å; F222-I224 HydrophobicContact CD2-CG1 4.33Å; I224-G226 VanDerWaalsContact C-N 3.35Å; I224-G226 PolarHBondContact O-N 3.45Å; I224-M229 HydrophobicContact CG2-CB 4.1Å; I224-M229 HydrophobicContact CG2-CG 4.46Å; I224-M229 HydrophobicContact CG2-SD 3.84Å
225D71.3Confident78.9Confident91 Ų9169.6 Ų69.649%0.48738%0.375SS..  trans-67.697.6167.9-169.6-27.2000108.7D227 I228 M229D225-D227 PolarHBondContact O-N 3.24Å; D225-D227 WeakPolarHBondContact OD1-CB 3.35Å; D225-D227 PolarHBondContact OD1-N 3.33Å; D225-D227 VanDerWaalsContact OD1-N 3.09Å; D225-I228 HydrophobicContact CB-CB 4.22Å; D225-I228 HydrophobicContact CB-CD1 3.94Å; D225-I228 HydrophobicContact CB-CG1 4.09Å; D225-I228 PolarHBondContact O-N 3.44Å; D225-I228 PolarHBondContact OD1-N 3.42Å; D225-I228 VanDerWaalsContact OD2-CD1 3.32Å; D225-I228 WeakPolarHBondContact OD2-CD1 3.42Å; D225-M229 PolarHBondContact O-N 2.91Å
226G73.6Confident78.8Confident10 Ų1066 Ų6610%0.10336%0.357CS..Hα-helixtrans-61.8-24.8-176.700000113.3I224 L230I224-G226 VanDerWaalsContact C-N 3.35Å; I224-G226 PolarHBondContact O-N 3.45Å; G226-L230 WeakPolarHBondContact O-CB 3.48Å; G226-L230 PolarHBondContact O-N 3.06Å
227D82.6Confident79Confident74 Ų7464.9 Ų64.940%0.39636%0.355SS..Hα-helixtrans-71.9-44.7176.3-77.1-40.2000110.7D225 L230 I231 R318D225-D227 PolarHBondContact O-N 3.24Å; D225-D227 WeakPolarHBondContact OD1-CB 3.35Å; D225-D227 PolarHBondContact OD1-N 3.33Å; D225-D227 VanDerWaalsContact OD1-N 3.09Å; D227-L230 PolarHBondContact O-N 3.47Å; D227-I231 VanDerWaalsContact O-CG1 3.32Å; D227-I231 WeakPolarHBondContact O-CG1 3.36Å; D227-I231 PolarHBondContact O-N 3.48Å; D227-I231 VanDerWaalsContact O-N 3.08Å; D227-R318 IonicContact OD1-CZ 3.07Å; D227-R318 IonicContact OD1-NE 2.82Å; D227-R318 PolarHBondContact OD1-NE 3.2Å; D227-R318 IonicContact OD1-NH2 3.09Å; D227-R318 PolarHBondContact OD1-NH2 3.45Å; D227-R318 IonicContact OD2-CZ 3.95Å; D227-R318 IonicContact OD2-NE 2.74Å; D227-R318 IonicContact OD2-NH2 3.74Å; D227-R318 PolarHBondContact OD2-NH2 2.72Å
228I80.1Confident79.1Confident56 Ų5664.9 Ų64.929%0.28736%0.36SS..Hα-helixtrans-66.2-43.5177.7-60.5177.4000110.8I151 D225 L230 I231 T232I151-I228 HydrophobicContact CD1-CG2 3.57Å; I151-I228 HydrophobicContact CG1-CG2 4.46Å; D225-I228 HydrophobicContact CB-CB 4.22Å; D225-I228 HydrophobicContact CB-CD1 3.94Å; D225-I228 HydrophobicContact CB-CG1 4.09Å; D225-I228 PolarHBondContact O-N 3.44Å; D225-I228 PolarHBondContact OD1-N 3.42Å; D225-I228 VanDerWaalsContact OD2-CD1 3.32Å; D225-I228 WeakPolarHBondContact OD2-CD1 3.42Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 3.28Å; I228-I231 PolarHBondContact O-N 3.25Å; I228-T232 HydrophobicContact CG2-CG2 4.46Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 WeakPolarHBondContact O-CG2 3.47Å; I228-T232 PolarHBondContact O-N 2.87Å; I228-T232 PolarHBondContact O-OG1 3.2Å
229M80.5Confident78.9Confident20 Ų2060.8 Ų60.810%0.09934%0.335CS..Hα-helixtrans-62.1-40177-171.5-173.2175.600111.8I224 D225 T232 A233 V310 A314 D327I224-M229 HydrophobicContact CG2-CB 4.1Å; I224-M229 HydrophobicContact CG2-CG 4.46Å; I224-M229 HydrophobicContact CG2-SD 3.84Å; D225-M229 PolarHBondContact O-N 2.91Å; M229-T232 WeakPolarHBondContact CA-OG1 3.44Å; M229-T232 PolarHBondContact O-OG1 3.47Å; M229-T232 VanDerWaalsContact O-OG1 3.07Å; M229-A233 WeakPolarHBondContact O-CB 3.41Å; M229-A233 PolarHBondContact O-N 3.41Å; M229-V310 HydrophobicContact CE-CG1 4.09Å; M229-A314 HydrophobicContact CB-CB 4.42Å; M229-A314 HydrophobicContact CE-CB 4.09Å; M229-A314 HydrophobicContact CG-CB 3.83Å; M229-A314 HydrophobicContact SD-CB 4Å; M229-D327 HydrophobicContact CE-CB 4.27Å; M229-D327 WeakPolarHBondContact CE-OD1 3.31Å
230L85.9Confident79.1Confident44 Ų4455.5 Ų55.523%0.2331%0.311CS..Hα-helixtrans-67-44178.9-174.271.5000112.1G226 D227 I228 A234 L311 A314G226-L230 WeakPolarHBondContact O-CB 3.48Å; G226-L230 PolarHBondContact O-N 3.06Å; D227-L230 PolarHBondContact O-N 3.47Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 3.28Å; L230-A234 VanDerWaalsContact O-CB 3.31Å; L230-A234 WeakPolarHBondContact O-CB 3.39Å; L230-A234 PolarHBondContact O-N 2.99Å; L230-L311 HydrophobicContact CD1-CD1 3.87Å; L230-A314 HydrophobicContact CB-CB 4.42Å; L230-A314 HydrophobicContact CD1-CB 4.16Å
231I86.6Confident79.9Confident112 Ų11256 Ų5657%0.57432%0.316SS*.Hα-helixtrans-63.6-49178.9-67.9167000110.2D227 I228 A234 V235D227-I231 VanDerWaalsContact O-CG1 3.32Å; D227-I231 WeakPolarHBondContact O-CG1 3.36Å; D227-I231 PolarHBondContact O-N 3.48Å; D227-I231 VanDerWaalsContact O-N 3.08Å; I228-I231 PolarHBondContact O-N 3.25Å; I231-A234 PolarHBondContact O-N 3.43Å; I231-V235 WeakPolarHBondContact O-CG2 3.26Å; I231-V235 PolarHBondContact O-N 2.98Å
232T81.6Confident81Confident34 Ų3453 Ų5321%0.20930%0.299CS..Hα-helixtrans-62.3-46.8-179.6470000111.7I151 I228 M229 A234 V235 G236I151-T232 HydrophobicContact CD1-CG2 3.93Å; I151-T232 HydrophobicContact CG1-CG2 4.1Å; I151-T232 HydrophobicContact CG2-CG2 4.49Å; I228-T232 HydrophobicContact CG2-CG2 4.46Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 WeakPolarHBondContact O-CG2 3.47Å; I228-T232 PolarHBondContact O-N 2.87Å; I228-T232 PolarHBondContact O-OG1 3.2Å; M229-T232 WeakPolarHBondContact CA-OG1 3.44Å; M229-T232 PolarHBondContact O-OG1 3.47Å; M229-T232 VanDerWaalsContact O-OG1 3.07Å; T232-A234 VanDerWaalsContact C-N 3.31Å; T232-A234 PolarHBondContact O-N 3.43Å; T232-V235 PolarHBondContact O-N 2.97Å; T232-G236 PolarHBondContact O-N 3.12Å
233A84.4Confident81.6Confident4 Ų451.1 Ų51.13%0.03329%0.291CS..Hα-helixtrans-60.4-37.8175.500000112.9M229 G236 V237 V310 L311 A314M229-A233 WeakPolarHBondContact O-CB 3.41Å; M229-A233 PolarHBondContact O-N 3.41Å; A233-G236 PolarHBondContact O-N 2.9Å; A233-V237 WeakPolarHBondContact O-CG2 3.45Å; A233-V237 PolarHBondContact O-N 3.43Å; A233-V310 HydrophobicContact CB-CG1 4.13Å; A233-L311 HydrophobicContact CB-CB 4.05Å; A233-L311 HydrophobicContact CB-CD1 4.05Å; A233-A314 HydrophobicContact CB-CB 4.48Å
234A89.3Confident82.6Confident45 Ų4544.2 Ų44.237%0.37226%0.258SS..Hα-helixtrans-66-40.7177.600000112.1L230 I231 T232 A238 L311L230-A234 VanDerWaalsContact O-CB 3.31Å; L230-A234 WeakPolarHBondContact O-CB 3.39Å; L230-A234 PolarHBondContact O-N 2.99Å; I231-A234 PolarHBondContact O-N 3.43Å; T232-A234 VanDerWaalsContact C-N 3.31Å; T232-A234 PolarHBondContact O-N 3.43Å; A234-A238 PolarHBondContact O-N 2.82Å; A234-A238 VanDerWaalsContact O-N 3.13Å; A234-L311 HydrophobicContact CB-CD1 4.02Å
235V86.4Confident83.3Confident69 Ų6948.3 Ų48.342%0.41827%0.274SS..Hα-helixtrans-66.8-43.5174.9-178.80000110.6F135 I231 T232 V237 A238 V239F135-V235 HydrophobicContact CD2-CG1 4.39Å; F135-V235 HydrophobicContact CE2-CB 4.45Å; F135-V235 HydrophobicContact CE2-CG1 3.52Å; F135-V235 HydrophobicContact CZ-CG1 4.23Å; I231-V235 WeakPolarHBondContact O-CG2 3.26Å; I231-V235 PolarHBondContact O-N 2.98Å; T232-V235 PolarHBondContact O-N 2.97Å; V235-V237 VanDerWaalsContact C-N 3.35Å; V235-V237 PolarHBondContact O-N 2.92Å; V235-A238 WeakPolarHBondContact O-CB 3.33Å; V235-A238 PolarHBondContact O-N 3.3Å; V235-A238 VanDerWaalsContact O-N 3.11Å; V235-V239 HydrophobicContact CG1-CG2 4.4Å; V235-V239 WeakPolarHBondContact O-CG2 3.39Å; V235-V239 PolarHBondContact O-N 3.43Å
236G84.7Confident83.7Confident4 Ų446 Ų464%0.04126%0.261CS..Hα-helixtrans-57.2-44.8176.100000112.6T232 A233 A238 V239 N240T232-G236 PolarHBondContact O-N 3.12Å; A233-G236 PolarHBondContact O-N 2.9Å; G236-A238 PolarHBondContact O-N 3.33Å; G236-V239 PolarHBondContact O-N 3.25Å; G236-N240 WeakPolarHBondContact O-CB 3.43Å; G236-N240 PolarHBondContact O-N 3.1Å; G236-N240 PolarHBondContact O-ND2 3.15Å
237V88.5Confident83.6Confident25 Ų2546.3 Ų46.315%0.15226%0.261CS..Hα-helixtrans-60.4-44.1174170.50000111.8A233 V235 V239 N240 L241 S307 V308 L311A233-V237 WeakPolarHBondContact O-CG2 3.45Å; A233-V237 PolarHBondContact O-N 3.43Å; V235-V237 VanDerWaalsContact C-N 3.35Å; V235-V237 PolarHBondContact O-N 2.92Å; V237-V239 VanDerWaalsContact C-N 3.35Å; V237-V239 PolarHBondContact O-N 2.89Å; V237-N240 PolarHBondContact O-N 3.16Å; V237-L241 WeakPolarHBondContact O-CB 3.11Å; V237-L241 PolarHBondContact O-N 2.9Å; V237-S307 VanDerWaalsContact CG2-O 3.31Å; V237-S307 WeakPolarHBondContact CG2-O 3.49Å; V237-V308 HydrophobicContact CG1-CG2 3.98Å; V237-V308 HydrophobicContact CG2-CG2 4Å; V237-L311 HydrophobicContact CB-CD2 4.42Å; V237-L311 HydrophobicContact CG2-CB 4.02Å; V237-L311 HydrophobicContact CG2-CD2 3.95Å
238A88.9Confident82.9Confident48 Ų4846 Ų4640%0.39726%0.259SS..Hα-helixtrans-62.2-42.9179.200000111.9A234 V235 G236 L241 I242A234-A238 PolarHBondContact O-N 2.82Å; A234-A238 VanDerWaalsContact O-N 3.13Å; V235-A238 WeakPolarHBondContact O-CB 3.33Å; V235-A238 PolarHBondContact O-N 3.3Å; V235-A238 VanDerWaalsContact O-N 3.11Å; G236-A238 PolarHBondContact O-N 3.33Å; A238-L241 PolarHBondContact O-N 3.41Å; A238-I242 VanDerWaalsContact O-CG1 3.31Å; A238-I242 WeakPolarHBondContact O-CG1 3.43Å; A238-I242 PolarHBondContact O-N 2.94Å
239V84.7Confident81.7Confident17 Ų1748.7 Ų48.710%0.10327%0.27CS..Hα-helixtrans-64-47.8177.1168.20000111.3L131 F135 V235 G236 V237 L241 I242 M243L131-V239 HydrophobicContact CD2-CG1 3.78Å; F135-V239 HydrophobicContact CB-CG1 4.4Å; F135-V239 HydrophobicContact CD1-CG1 4.04Å; F135-V239 HydrophobicContact CD1-CG2 4.48Å; F135-V239 HydrophobicContact CD2-CG2 3.72Å; F135-V239 HydrophobicContact CE1-CG1 4.49Å; F135-V239 HydrophobicContact CE2-CG2 3.92Å; F135-V239 HydrophobicContact CG-CG1 4.08Å; F135-V239 HydrophobicContact CG-CG2 4.02Å; F135-V239 HydrophobicContact CZ-CG2 4.33Å; V235-V239 HydrophobicContact CG1-CG2 4.4Å; V235-V239 WeakPolarHBondContact O-CG2 3.39Å; V235-V239 PolarHBondContact O-N 3.43Å; G236-V239 PolarHBondContact O-N 3.25Å; V237-V239 VanDerWaalsContact C-N 3.35Å; V237-V239 PolarHBondContact O-N 2.89Å; V239-L241 VanDerWaalsContact C-N 3.26Å; V239-L241 PolarHBondContact O-N 3.12Å; V239-I242 PolarHBondContact O-N 3.41Å; V239-M243 WeakPolarHBondContact O-CB 3.27Å; V239-M243 PolarHBondContact O-N 3.49Å
240N86.8Confident80.1Confident5 Ų550.5 Ų50.53%0.02730%0.295CS..Hα-helixtrans-63.7-31.5177.5-76-29.5000112.3G236 V237 G244 D303 L304 S307G236-N240 WeakPolarHBondContact O-CB 3.43Å; G236-N240 PolarHBondContact O-N 3.1Å; G236-N240 PolarHBondContact O-ND2 3.15Å; V237-N240 PolarHBondContact O-N 3.16Å; N240-G244 PolarHBondContact O-N 3.43Å; N240-D303 PolarHBondContact ND2-O 2.96Å; N240-L304 HydrophobicContact CB-CB 4.13Å; N240-L304 HydrophobicContact CB-CD1 3.85Å; N240-S307 WeakPolarHBondContact ND2-CB 3.43Å; N240-S307 PolarHBondContact ND2-OG 2.96Å
241L87.9Confident77.9Confident107 Ų10750.8 Ų50.856%0.5631%0.308SS*.Hα-helixtrans-69-45.5174.1-17171.7000112V237 A238 V239 M243 G244 F245 L304V237-L241 WeakPolarHBondContact O-CB 3.11Å; V237-L241 PolarHBondContact O-N 2.9Å; A238-L241 PolarHBondContact O-N 3.41Å; V239-L241 VanDerWaalsContact C-N 3.26Å; V239-L241 PolarHBondContact O-N 3.12Å; L241-M243 VanDerWaalsContact C-N 3.27Å; L241-M243 PolarHBondContact O-N 3.26Å; L241-G244 PolarHBondContact O-N 3.22Å; L241-F245 PolarHBondContact O-N 3.41Å; L241-L304 HydrophobicContact CB-CD1 4.38Å; L241-L304 HydrophobicContact CD1-CD2 4.37Å
242I85.8Confident75Confident97 Ų9754.2 Ų54.250%0.49732%0.321SS..Hα-helixtrans-58.7-43.8174.7-68.5165.4000109.7L131 A238 V239 F245 L246L131-I242 HydrophobicContact CD1-CG2 4.02Å; A238-I242 VanDerWaalsContact O-CG1 3.31Å; A238-I242 WeakPolarHBondContact O-CG1 3.43Å; A238-I242 PolarHBondContact O-N 2.94Å; V239-I242 PolarHBondContact O-N 3.41Å; I242-F245 PolarHBondContact O-N 3.02Å; I242-L246 WeakPolarHBondContact O-CB 3.4Å; I242-L246 PolarHBondContact O-N 3.14Å
243M78.4Confident72.4Confident1 Ų159.2 Ų59.21%0.00535%0.346CS..Hα-helixtrans-63.4-49177.2-177.359.27200112A128 L131 Y132 V239 L241 F245 L246 L247 A300A128-M243 VanDerWaalsContact CA-CE 3.43Å; A128-M243 HydrophobicContact CB-CE 3.48Å; A128-M243 VanDerWaalsContact CB-CE 3.48Å; A128-M243 HydrophobicContact CB-SD 3.45Å; A128-M243 WeakPolarHBondContact CB-SD 3.33Å; A128-M243 WeakPolarHBondContact O-CE 3.29Å; L131-M243 HydrophobicContact CD2-CE 4.24Å; Y132-M243 HydrophobicContact CD2-CE 3.25Å; Y132-M243 HydrophobicContact CE2-CE 3.12Å; Y132-M243 HydrophobicContact CE2-CG 3.89Å; Y132-M243 HydrophobicContact CE2-SD 3.98Å; Y132-M243 HydrophobicContact CG-CE 4.1Å; V239-M243 WeakPolarHBondContact O-CB 3.27Å; V239-M243 PolarHBondContact O-N 3.49Å; L241-M243 VanDerWaalsContact C-N 3.27Å; L241-M243 PolarHBondContact O-N 3.26Å; M243-F245 PolarHBondContact O-N 3Å; M243-L246 WeakPolarHBondContact O-CB 3.28Å; M243-L246 PolarHBondContact O-N 3.07Å; M243-L246 VanDerWaalsContact O-N 3.11Å; M243-L246 HydrophobicContact SD-CD2 4.35Å; M243-L247 HydrophobicContact CG-CD1 4.04Å; M243-L247 WeakPolarHBondContact O-CG 3.34Å; M243-L247 PolarHBondContact O-N 2.86Å; M243-L247 HydrophobicContact SD-CD1 3.98Å; M243-L247 HydrophobicContact SD-CG 4.07Å; M243-A300 HydrophobicContact CG-CB 4.17Å
244G79.8Confident70Confident17 Ų1767.4 Ų67.418%0.17538%0.383CS..Hα-helixtrans-54.1-42.6176.400000111.4N240 L241 N248N240-G244 PolarHBondContact O-N 3.43Å; L241-G244 PolarHBondContact O-N 3.22Å; G244-N248 WeakPolarHBondContact O-CB 3.32Å; G244-N248 PolarHBondContact O-N 2.71Å
245F82.1Confident67Low134 Ų13470.7 Ų70.759%0.58840%0.403SS*.Hα-helixtrans-68.6-42.9176.5-168.3-118.2000113L241 I242 M243 L247 N248 Q249L241-F245 PolarHBondContact O-N 3.41Å; I242-F245 PolarHBondContact O-N 3.02Å; M243-F245 PolarHBondContact O-N 3Å; F245-L247 PolarHBondContact O-N 3.32Å; F245-N248 PolarHBondContact O-N 2.99Å; F245-Q249 VanDerWaalsContact CD1-NE2 3.27Å; F245-Q249 HydrophobicContact CE2-CG 4.38Å; F245-Q249 HydrophobicContact CZ-CG 4.34Å; F245-Q249 WeakPolarHBondContact O-CG 3.49Å; F245-Q249 PolarHBondContact O-N 3.34Å
246L78.5Confident64.5Low42 Ų4275.8 Ų75.822%0.2242%0.422CS..Hα-helixtrans-58.7-36.5177.4-171.772.4000112.1I127 A128 I242 M243I127-L246 HydrophobicContact CB-CD2 4.16Å; I127-L246 HydrophobicContact CG2-CD1 4.25Å; I127-L246 HydrophobicContact CG2-CD2 3.68Å; A128-L246 HydrophobicContact CB-CD2 4.24Å; I242-L246 WeakPolarHBondContact O-CB 3.4Å; I242-L246 PolarHBondContact O-N 3.14Å; M243-L246 WeakPolarHBondContact O-CB 3.28Å; M243-L246 PolarHBondContact O-N 3.07Å; M243-L246 VanDerWaalsContact O-N 3.11Å; M243-L246 HydrophobicContact SD-CD2 4.35Å
247L71.4Confident61.7Low18 Ų1878.9 Ų78.99%0.09445%0.454CS..Hα-helixtrans-83.9-32.8178-63.4176.1000112.9L125 M243 F245 A300L125-L247 HydrophobicContact CD2-CD2 4.49Å; M243-L247 HydrophobicContact CG-CD1 4.04Å; M243-L247 WeakPolarHBondContact O-CG 3.34Å; M243-L247 PolarHBondContact O-N 2.86Å; M243-L247 HydrophobicContact SD-CD1 3.98Å; M243-L247 HydrophobicContact SD-CG 4.07Å; F245-L247 PolarHBondContact O-N 3.32Å; L247-A300 HydrophobicContact CD1-CB 3.77Å
248N68.2Low59.1Low68 Ų6885.5 Ų85.536%0.36448%0.483SS..Hα-helixtrans-75.4-21.4-176.3-169.436.3000114.5G244 F245 G250 G251 F297G244-N248 WeakPolarHBondContact O-CB 3.32Å; G244-N248 PolarHBondContact O-N 2.71Å; F245-N248 PolarHBondContact O-N 2.99Å; N248-G250 PolarHBondContact O-N 3.4Å; N248-G251 PolarHBondContact O-N 2.93Å; N248-F297 HydrophobicContact CB-CE2 4.15Å
249Q55Low56.2Low111 Ų11186.9 Ų86.952%0.51950%0.501SS..THydrogen-bonded Turntrans-68.727.5178.4-71.1-178.613.700114.9R124 F245R124-Q249 PolarHBondContact NH1-O 3.41Å; R124-Q249 PolarHBondContact NH2-O 2.73Å; F245-Q249 VanDerWaalsContact CD1-NE2 3.27Å; F245-Q249 HydrophobicContact CE2-CG 4.38Å; F245-Q249 HydrophobicContact CZ-CG 4.34Å; F245-Q249 WeakPolarHBondContact O-CG 3.49Å; F245-Q249 PolarHBondContact O-N 3.34Å
250G46Very low54Low59 Ų5993.6 Ų93.661%0.60853%0.531SS*.THydrogen-bonded Turntrans-121.8-9.3178.400000115.8R124 N248R124-G250 VanDerWaalsContact NH1-CA 3.3Å; N248-G250 PolarHBondContact O-N 3.4Å
251G40.1Very low51.4Low49 Ų4999.1 Ų99.151%0.50557%0.57SS.*SBendtrans-154.3108.7-177.600000110.8N248 L253N248-G251 PolarHBondContact O-N 2.93Å; G251-L253 PolarHBondContact O-N 3.48Å
252H27.1Very low48.9Very low185 Ų185102.2 Ų102.286%0.85658%0.581SS**  trans-54.7124.2171.8-157.5-66.8000109.6
253L26.8Very low46.6Very low139 Ų139101 Ų10173%0.72859%0.594SS**  trans-32.9135.3-179.9-150.672.1000115.3G251 S255G251-L253 PolarHBondContact O-N 3.48Å; L253-S255 PolarHBondContact O-N 3.46Å
254H33.8Very low44.5Very low176 Ų176109.4 Ų109.482%0.81563%0.632SS**  trans-64.2121.2167.4-80.2-95.1000110.8
255S26.1Very low42.4Very low113 Ų113111.5 Ų111.579%0.7965%0.654SS**  trans-76.7123156.3175.20000108.5L253 G257L253-S255 PolarHBondContact O-N 3.46Å; S255-G257 PolarHBondContact O-N 3.05Å; S255-G257 VanDerWaalsContact O-N 3.1Å
256H33.3Very low40.1Very low176 Ų176114.1 Ų114.182%0.81567%0.668SS**  trans-70.692.7165.5-82.2-89.8000109.1
257G27.1Very low38Very low69 Ų69116.2 Ų116.271%0.71169%0.686SS**  trans-91.699.9167.700000110.8S255 G259S255-G257 PolarHBondContact O-N 3.05Å; S255-G257 VanDerWaalsContact O-N 3.1Å; G257-G259 PolarHBondContact O-N 2.8Å; G257-G259 VanDerWaalsContact O-N 3.15Å
258H33.8Very low36.3Very low165 Ų165124.3 Ų124.376%0.76472%0.723SS**  trans-63.8104.3163-85.9-86.7000109.5H260H258-H260 PolarHBondContact O-N 2.95Å
259G28.3Very low34.5Very low76 Ų76124.4 Ų124.478%0.78474%0.74SS**  trans-88.792.2170.800000111G257 S261G257-G259 PolarHBondContact O-N 2.8Å; G257-G259 VanDerWaalsContact O-N 3.15Å; G259-S261 PolarHBondContact O-N 3.02Å
260H36.6Very low34.1Very low159 Ų159125.5 Ų125.574%0.73676%0.757SS**  trans-79.7108.4160.4-73.2-77.7000108.4H258 H262H258-H260 PolarHBondContact O-N 2.95Å; H260-H262 PolarHBondContact O-N 3.1Å
261S34.1Very low33.4Very low120 Ų120127.6 Ų127.684%0.83977%0.768SS**  trans-86.8101.9171.258.70000109.8G259G259-S261 PolarHBondContact O-N 3.02Å
262H35.5Very low32.9Very low172 Ų172130 Ų13080%0.79678%0.784SS**  trans-77.7123.9158.7-80.3-82.5000108.8H260H260-H262 PolarHBondContact O-N 3.1Å
263G35.9Very low33.1Very low73 Ų73125.7 Ų125.775%0.75378%0.78SS**  trans-78.1127.2170.400000110.8
264H34.2Very low33.8Very low176 Ų176124.4 Ų124.482%0.81578%0.78SS**  trans-134.6118.6156.7-92.3-72.1000108
265G35.7Very low33.7Very low62 Ų62121.6 Ų121.664%0.63978%0.78SS**  trans-92150.7169.800000110.8
266H33.8Very low33.8Very low188 Ų188119.1 Ų119.187%0.8777%0.773SS**  trans-153.2142149.3-79.1-58.9000110.5
267S36.2Very low33.4Very low86 Ų86116.1 Ų116.160%0.60177%0.771SS**  trans-96.3178.1-179.445.50000113.1
268H34.1Very low33.4Very low188 Ų188121.9 Ų121.987%0.8778%0.779SS**  trans95.9128.9169.9-47.7-64.7000113.8
269G30.3Very low33.1Very low71 Ų71119.2 Ų119.273%0.73278%0.779SS**  cis-178.3178.39.200000107.3
270P47.3Very low33.2Very low133 Ų133120 Ų12086%0.86478%0.778SS**  trans-97.5141.4-159.636-31.1000114.6
271A30.3Very low32.7Very low103 Ų103116 Ų11685%0.85178%0.78SS**  trans167.1148.5137.600000112.7
272A30.9Very low32.4Very low101 Ų101114.5 Ų114.584%0.83577%0.77SS**  trans84.9102.8161.300000119
273A31.6Very low32Very low93 Ų93109.6 Ų109.677%0.76977%0.765SS**  trans-66.8157.7145.400000108.9
274P41.8Very low31.8Very low112 Ų112112.4 Ų112.473%0.72776%0.759SS**  cis-144.817144.436.5-14.4000117.4
275S31.7Very low31.9Very low118 Ų118109.5 Ų109.583%0.82575%0.746SS**  trans55.691.7150.455.70000117.8
276G26.7Very low31.8Very low61 Ų61116.8 Ų116.863%0.62975%0.754SS**  trans-149.3118.7159.200000108.4H278G276-H278 PolarHBondContact O-N 3.15Å; G276-H278 VanDerWaalsContact O-N 3.15Å
277S26.4Very low32.1Very low112 Ų112111 Ų11178%0.78373%0.733SS**  trans-35.8112.7175.449.50000113.3S279S277-S279 PolarHBondContact O-N 2.9Å
278H26.8Very low32.4Very low191 Ų191111.2 Ų111.288%0.88473%0.731SS**  trans-69.587.9160-72.7-67.2000107.8G276 A280G276-H278 PolarHBondContact O-N 3.15Å; G276-H278 VanDerWaalsContact O-N 3.15Å; H278-A280 PolarHBondContact O-N 3.38Å
279S26.9Very low33.4Very low109 Ų109104.5 Ų104.576%0.76271%0.713SS**  trans-60.991.4152.3340000106.5S277 G281S277-S279 PolarHBondContact O-N 2.9Å; S279-G281 VanDerWaalsContact C-N 3.34Å; S279-G281 PolarHBondContact O-N 3.49Å
280A30.7Very low35Very low92 Ų92102.1 Ų102.176%0.7669%0.685SS**  trans-51.2106.7163.800000106.3H278 S282H278-A280 PolarHBondContact O-N 3.38Å; A280-S282 PolarHBondContact O-N 3.19Å
281G25.7Very low35.9Very low76 Ų7696.4 Ų96.478%0.78465%0.647SS**  trans-61.789.617000000107S279 G283S279-G281 VanDerWaalsContact C-N 3.34Å; S279-G281 PolarHBondContact O-N 3.49Å; G281-G283 PolarHBondContact O-N 2.87Å
282S27.5Very low37.5Very low88 Ų8891.6 Ų91.662%0.61561%0.607SS**  trans-54.192.8157.4167.20000105.5A280 Q284A280-S282 PolarHBondContact O-N 3.19Å; S282-Q284 PolarHBondContact O-N 3.4Å
283G27.3Very low39.3Very low68 Ų6888.6 Ų88.670%0.70158%0.578SS**  trans-64.173.3157.900000106.4G281 Q285G281-G283 PolarHBondContact O-N 2.87Å; G283-Q285 PolarHBondContact O-N 2.96Å
284Q31Very low41Very low132 Ų13289.8 Ų89.862%0.61756%0.563SS**  trans-61.191.1172.9-171.191.148.200105.2S282 R286S282-Q284 PolarHBondContact O-N 3.4Å; Q284-R286 PolarHBondContact O-N 2.89Å
285Q37.6Very low42.3Very low116 Ų11685.3 Ų85.354%0.54254%0.535SS..  trans-52.6109.2170.2-73.4-176.1-1.100105.7G283 P287G283-Q285 PolarHBondContact O-N 2.96Å; Q285-P287 VanDerWaalsContact O-CD 3.31Å; Q285-P287 WeakPolarHBondContact O-CD 3.3Å; Q285-P287 VanDerWaalsContact O-N 3.1Å
286R33.3Very low44.1Very low215 Ų21580.4 Ų80.481%0.81150%0.502SS*.PPolyproline II helixtrans-59.1118.3175.6-81.9178.9140.1-172.4-4.3105.2Q284 T288Q284-R286 PolarHBondContact O-N 2.89Å; R286-T288 PolarHBondContact O-N 3.42Å
287P39.4Very low46.4Very low66 Ų6680.9 Ų80.943%0.42949%0.487SS..PPolyproline II helixtrans-58.3118.1178.524.4-33.8000106.8Q285Q285-P287 VanDerWaalsContact O-CD 3.31Å; Q285-P287 WeakPolarHBondContact O-CD 3.3Å; Q285-P287 VanDerWaalsContact O-N 3.1Å
288T43.6Very low48.7Very low90 Ų9077.6 Ų77.655%0.55246%0.46SS*.PPolyproline II helixtrans-51.5143.6172.339.10000108.2R286 D390R286-T288 PolarHBondContact O-N 3.42Å; T288-D390 VanDerWaalsContact O-OD1 3.06Å; T288-D390 PolarHBondContact OG1-OD1 2.96Å
289G54.4Low51Low48 Ų4870.4 Ų70.450%0.49543%0.427SS..PPolyproline II helixtrans-58.9150.8174.300000110.1L291G289-L291 PolarHBondContact O-N 3.42Å
290S64Low53.4Low20 Ų2065.3 Ų65.314%0.1439%0.391CS..  trans-45.3135.9173.8152.60000110.1E191 A292 V293 R294E191-S290 WeakPolarHBondContact OE1-CB 3.32Å; E191-S290 PolarHBondContact OE1-OG 3.47Å; S290-A292 PolarHBondContact O-N 2.91Å; S290-A292 VanDerWaalsContact O-N 3.15Å; S290-A292 PolarHBondContact OG-N 3.46Å; S290-V293 WeakPolarHBondContact O-CB 3.5Å; S290-V293 PolarHBondContact O-N 3.2Å; S290-R294 PolarHBondContact O-N 2.96Å; S290-R294 VanDerWaalsContact O-N 3.12Å
291L66.9Low55.9Low14 Ų1464.6 Ų64.67%0.07337%0.374CS..Hα-helixtrans-53.3-38.4-178-175.166.1000110.7E191 A195 G289 V293 R294 A295 I352 A389E191-L291 PolarHBondContact OE1-N 2.89Å; A195-L291 HydrophobicContact CB-CD2 4.44Å; G289-L291 PolarHBondContact O-N 3.42Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.29Å; L291-R294 PolarHBondContact O-N 3.02Å; L291-A295 VanDerWaalsContact O-CB 3.28Å; L291-A295 WeakPolarHBondContact O-CB 3.38Å; L291-A295 PolarHBondContact O-N 2.94Å; L291-I352 HydrophobicContact CD2-CD1 4.19Å; L291-A389 HydrophobicContact CB-CB 3.79Å; L291-A389 HydrophobicContact CD1-CB 4.36Å; L291-A389 HydrophobicContact CG-CB 4.49Å
292A63.9Low58.5Low2 Ų261.5 Ų61.52%0.01734%0.342CS..Hα-helixtrans-59.5-41.2176.500000112.6E191 S290 A295 A296E191-A292 HydrophobicContact CG-CB 4.14Å; E191-A292 PolarHBondContact OE1-N 3.35Å; S290-A292 PolarHBondContact O-N 2.91Å; S290-A292 VanDerWaalsContact O-N 3.15Å; S290-A292 PolarHBondContact OG-N 3.46Å; A292-A295 PolarHBondContact O-N 3.4Å; A292-A296 VanDerWaalsContact O-CB 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.35Å; A292-A296 PolarHBondContact O-N 2.9Å
293V67.4Low61.1Low37 Ų3757.8 Ų57.822%0.22432%0.315CS..Hα-helixtrans-69.5-42.4178.3-178.50000110.9V121 S290 L291 A295 A296 F297V121-V293 HydrophobicContact CB-CG2 4.28Å; V121-V293 HydrophobicContact CG1-CG2 3.36Å; V121-V293 HydrophobicContact CG2-CG2 3.87Å; S290-V293 WeakPolarHBondContact O-CB 3.5Å; S290-V293 PolarHBondContact O-N 3.2Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.29Å; V293-A295 VanDerWaalsContact C-N 3.33Å; V293-A296 PolarHBondContact O-N 2.87Å; V293-F297 WeakPolarHBondContact O-CB 3.35Å; V293-F297 PolarHBondContact O-N 2.82Å
294R68.5Low63.9Low119 Ų11956 Ų5645%0.44929%0.289SS..Hα-helixtrans-63.9-41.3176.8-175.3-179.4177.5-165.80.1111.3S290 L291 F297 I298S290-R294 PolarHBondContact O-N 2.96Å; S290-R294 VanDerWaalsContact O-N 3.12Å; L291-R294 PolarHBondContact O-N 3.02Å; R294-F297 PolarHBondContact O-N 3.07Å; R294-I298 HydrophobicContact CG-CD1 4.03Å; R294-I298 WeakPolarHBondContact O-CG1 3.25Å; R294-I298 PolarHBondContact O-N 2.88Å
295A68.8Low66.5Low18 Ų1853 Ų5315%0.14928%0.278CS..Hα-helixtrans-62.9-49.3175.100000110.9L291 A292 V293 F297 I298 H299L291-A295 VanDerWaalsContact O-CB 3.28Å; L291-A295 WeakPolarHBondContact O-CB 3.38Å; L291-A295 PolarHBondContact O-N 2.94Å; A292-A295 PolarHBondContact O-N 3.4Å; V293-A295 VanDerWaalsContact C-N 3.33Å; A295-F297 VanDerWaalsContact C-N 3.3Å; A295-F297 PolarHBondContact O-N 3.09Å; A295-I298 PolarHBondContact O-N 2.97Å; A295-H299 VanDerWaalsContact O-CB 3.25Å; A295-H299 WeakPolarHBondContact O-CB 3.37Å; A295-H299 PolarHBondContact O-N 3.4Å
296A69.6Low68.8Low15 Ų1549 Ų4912%0.12426%0.259CS..Hα-helixtrans-61.2-35.8177.100000113L125 A292 V293 H299 A300L125-A296 HydrophobicContact CD2-CB 4.34Å; A292-A296 VanDerWaalsContact O-CB 3.29Å; A292-A296 WeakPolarHBondContact O-CB 3.35Å; A292-A296 PolarHBondContact O-N 2.9Å; V293-A296 PolarHBondContact O-N 2.87Å; A296-H299 WeakPolarHBondContact O-CB 3.37Å; A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 2.74Å
297F74.7Confident71.4Confident70 Ų7039.4 Ų39.431%0.30723%0.225SC..Hα-helixtrans-68.5-47.4175.4173.5-97.6000112.4N248 V293 R294 A295 H299 A300 L301N248-F297 HydrophobicContact CB-CE2 4.15Å; V293-F297 WeakPolarHBondContact O-CB 3.35Å; V293-F297 PolarHBondContact O-N 2.82Å; R294-F297 PolarHBondContact O-N 3.07Å; A295-F297 VanDerWaalsContact C-N 3.3Å; A295-F297 PolarHBondContact O-N 3.09Å; F297-H299 PolarHBondContact O-N 3.06Å; F297-A300 PolarHBondContact O-N 3.25Å; F297-L301 HydrophobicContact CE1-CD2 4.36Å; F297-L301 WeakPolarHBondContact O-CB 3.19Å; F297-L301 PolarHBondContact O-N 3.21Å
298I74.8Confident73.8Confident44 Ų4438.8 Ų38.823%0.22622%0.22CC..Hα-helixtrans-62.7-38.2177.8-68.2168000110.1R294 A295 L301 G302 I345R294-I298 HydrophobicContact CG-CD1 4.03Å; R294-I298 WeakPolarHBondContact O-CG1 3.25Å; R294-I298 PolarHBondContact O-N 2.88Å; A295-I298 PolarHBondContact O-N 2.97Å; I298-L301 PolarHBondContact O-N 3.39Å; I298-G302 PolarHBondContact O-N 2.93Å; I298-I345 HydrophobicContact CB-CD1 4.23Å; I298-I345 HydrophobicContact CD1-CD1 4Å; I298-I345 HydrophobicContact CD1-CG1 4.35Å; I298-I345 HydrophobicContact CG2-CD1 4.02Å
299H75.6Confident75.9Confident39 Ų3934.8 Ų34.818%0.18120%0.196CC..Hα-helixtrans-58-58.5172.7-178.584.4000111.6D161 I202 A295 A296 F297 L301 G302 D303D161-H299 VanDerWaalsContact CG-NE2 3.3Å; D161-H299 IonicContact OD1-CE1 3.88Å; D161-H299 PolarHBondContact OD1-CE1 2.96Å; D161-H299 IonicContact OD1-NE2 2.66Å; D161-H299 PolarHBondContact OD1-NE2 3.31Å; D161-H299 IonicContact OD2-NE2 2.65Å; I202-H299 WeakPolarHBondContact CD1-ND1 3.12Å; A295-H299 VanDerWaalsContact O-CB 3.25Å; A295-H299 WeakPolarHBondContact O-CB 3.37Å; A295-H299 PolarHBondContact O-N 3.4Å; A296-H299 WeakPolarHBondContact O-CB 3.37Å; F297-H299 PolarHBondContact O-N 3.06Å; H299-L301 PolarHBondContact O-N 3.19Å; H299-G302 WeakPolarHBondContact O-CA 3.4Å; H299-G302 PolarHBondContact O-N 3.34Å; H299-D303 IonicContact CD2-OD2 3.82Å; H299-D303 PolarHBondContact CD2-OD2 3.06Å; H299-D303 IonicContact CE1-OD2 3.64Å; H299-D303 IonicContact NE2-OD1 3.43Å; H299-D303 IonicContact NE2-OD2 3.46Å; H299-D303 PolarHBondContact NE2-OD2 3.39Å; H299-D303 PolarHBondContact O-N 3.18Å
300A77.6Confident77.4Confident2 Ų234.3 Ų34.32%0.01718%0.184CC..Hα-helixtrans-60.2-33.3179.800000113M243 L247 A296 F297 L304M243-A300 HydrophobicContact CG-CB 4.17Å; L247-A300 HydrophobicContact CD1-CB 3.77Å; A296-A300 WeakPolarHBondContact O-CB 3.49Å; A296-A300 PolarHBondContact O-N 2.74Å; F297-A300 PolarHBondContact O-N 3.25Å; A300-L304 WeakPolarHBondContact O-CB 3.22Å; A300-L304 PolarHBondContact O-N 2.9Å
301L81.4Confident78.6Confident78 Ų7835.6 Ų35.641%0.40819%0.189SC..Hα-helixtrans-67.2-39.5173.2-179.162.7000111.7F297 I298 H299 L304 L305F297-L301 HydrophobicContact CE1-CD2 4.36Å; F297-L301 WeakPolarHBondContact O-CB 3.19Å; F297-L301 PolarHBondContact O-N 3.21Å; I298-L301 PolarHBondContact O-N 3.39Å; H299-L301 PolarHBondContact O-N 3.19Å; L301-L304 PolarHBondContact O-N 3.04Å; L301-L305 WeakPolarHBondContact O-CG 3.4Å; L301-L305 PolarHBondContact O-N 3.42Å
302G80.8Confident79.7Confident11 Ų1139.8 Ų39.811%0.11321%0.21CC..Hα-helixtrans-59.3-49.3172.600000111.8I298 H299 L304 L305 Q306I298-G302 PolarHBondContact O-N 2.93Å; H299-G302 WeakPolarHBondContact O-CA 3.4Å; H299-G302 PolarHBondContact O-N 3.34Å; G302-L304 VanDerWaalsContact C-N 3.33Å; G302-L304 PolarHBondContact O-N 3.44Å; G302-L305 PolarHBondContact O-N 3.45Å; G302-Q306 WeakPolarHBondContact O-CB 3.35Å; G302-Q306 PolarHBondContact O-N 3.44Å
303D82.9Confident80.8Confident9 Ų939.9 Ų39.95%0.04821%0.211CC..Hα-helixtrans-63-38.6177.8-61.6-31.2000112.2H157 N240 H299 Q306 S307H157-D303 IonicContact CE1-OD1 3.96Å; H157-D303 IonicContact NE2-OD1 2.67Å; H157-D303 PolarHBondContact NE2-OD1 3.22Å; N240-D303 PolarHBondContact ND2-O 2.96Å; H299-D303 IonicContact CD2-OD2 3.82Å; H299-D303 PolarHBondContact CD2-OD2 3.06Å; H299-D303 IonicContact CE1-OD2 3.64Å; H299-D303 IonicContact NE2-OD1 3.43Å; H299-D303 IonicContact NE2-OD2 3.46Å; H299-D303 PolarHBondContact NE2-OD2 3.39Å; H299-D303 PolarHBondContact O-N 3.18Å; D303-Q306 PolarHBondContact O-N 3.24Å; D303-S307 WeakPolarHBondContact O-CB 3.29Å; D303-S307 PolarHBondContact O-N 3.33Å; D303-S307 PolarHBondContact O-OG 3.33Å
304L86.2Confident81.6Confident30 Ų3038.1 Ų38.116%0.15720%0.2CC..Hα-helixtrans-61.8-46.4174.4179.662.5000111.3N240 L241 A300 L301 G302 Q306 S307 V308N240-L304 HydrophobicContact CB-CB 4.13Å; N240-L304 HydrophobicContact CB-CD1 3.85Å; L241-L304 HydrophobicContact CB-CD1 4.38Å; L241-L304 HydrophobicContact CD1-CD2 4.37Å; A300-L304 WeakPolarHBondContact O-CB 3.22Å; A300-L304 PolarHBondContact O-N 2.9Å; L301-L304 PolarHBondContact O-N 3.04Å; G302-L304 VanDerWaalsContact C-N 3.33Å; G302-L304 PolarHBondContact O-N 3.44Å; L304-Q306 VanDerWaalsContact C-N 3.35Å; L304-S307 WeakPolarHBondContact CA-OG 3.31Å; L304-S307 PolarHBondContact O-OG 3.25Å; L304-V308 HydrophobicContact CD1-CG2 4.28Å; L304-V308 WeakPolarHBondContact O-CB 3.47Å; L304-V308 VanDerWaalsContact O-CG2 3.24Å; L304-V308 WeakPolarHBondContact O-CG2 3.5Å; L304-V308 PolarHBondContact O-N 3.4Å
305L85.7Confident82.6Confident70 Ų7038.8 Ų38.837%0.36620%0.204SC..Hα-helixtrans-62.1-45.2177.2-71.3173.6000110.9L301 G302 V308 G309 F334 L337L301-L305 WeakPolarHBondContact O-CG 3.4Å; L301-L305 PolarHBondContact O-N 3.42Å; G302-L305 PolarHBondContact O-N 3.45Å; L305-V308 PolarHBondContact O-N 2.94Å; L305-G309 PolarHBondContact O-N 2.87Å; L305-F334 HydrophobicContact CB-CD1 4.47Å; L305-F334 HydrophobicContact CB-CE1 4.01Å; L305-F334 VanDerWaalsContact O-CE1 3.27Å; L305-F334 WeakPolarHBondContact O-CE1 3.37Å; L305-F334 WeakPolarHBondContact O-CZ 3.29Å; L305-L337 HydrophobicContact CD1-CD1 4.28Å; L305-L337 HydrophobicContact CD1-CD2 4.21Å
306Q85.9Confident83.5Confident31 Ų3140 Ų4015%0.14521%0.209CC..Hα-helixtrans-59.5-51.8177.7-177.9174.6-41.300111.5H157 G302 D303 L304 V308 G309 V310 F334H157-Q306 PolarHBondContact CE1-NE2 3.19Å; H157-Q306 PolarHBondContact ND1-NE2 2.86Å; G302-Q306 WeakPolarHBondContact O-CB 3.35Å; G302-Q306 PolarHBondContact O-N 3.44Å; D303-Q306 PolarHBondContact O-N 3.24Å; L304-Q306 VanDerWaalsContact C-N 3.35Å; Q306-V308 VanDerWaalsContact C-N 3.32Å; Q306-V308 PolarHBondContact O-N 3.41Å; Q306-G309 PolarHBondContact O-N 3.32Å; Q306-G309 VanDerWaalsContact O-N 3.16Å; Q306-V310 WeakPolarHBondContact O-CG2 3.38Å; Q306-V310 PolarHBondContact O-N 3.37Å; Q306-F334 HydrophobicContact CB-CD2 4.45Å; Q306-F334 HydrophobicContact CB-CG 4.4Å; Q306-F334 HydrophobicContact CG-CD2 4.4Å
307S87.3Confident84.2Confident15 Ų1540 Ų4011%0.10521%0.208CC..Hα-helixtrans-60.7-37.9178.553.70000112.7V237 N240 D303 L304 V310 L311V237-S307 VanDerWaalsContact CG2-O 3.31Å; V237-S307 WeakPolarHBondContact CG2-O 3.49Å; N240-S307 WeakPolarHBondContact ND2-CB 3.43Å; N240-S307 PolarHBondContact ND2-OG 2.96Å; D303-S307 WeakPolarHBondContact O-CB 3.29Å; D303-S307 PolarHBondContact O-N 3.33Å; D303-S307 PolarHBondContact O-OG 3.33Å; L304-S307 WeakPolarHBondContact CA-OG 3.31Å; L304-S307 PolarHBondContact O-OG 3.25Å; S307-V310 PolarHBondContact O-N 3.47Å; S307-L311 WeakPolarHBondContact O-CB 3.4Å; S307-L311 PolarHBondContact O-N 3.48Å
308V89.3Confident84.7Confident53 Ų5341.6 Ų41.632%0.32121%0.212SC..Hα-helixtrans-63.7-43.5174.9167.90000111.4V237 L304 L305 Q306 L311 I312V237-V308 HydrophobicContact CG1-CG2 3.98Å; V237-V308 HydrophobicContact CG2-CG2 4Å; L304-V308 HydrophobicContact CD1-CG2 4.28Å; L304-V308 WeakPolarHBondContact O-CB 3.47Å; L304-V308 VanDerWaalsContact O-CG2 3.24Å; L304-V308 WeakPolarHBondContact O-CG2 3.5Å; L304-V308 PolarHBondContact O-N 3.4Å; L305-V308 PolarHBondContact O-N 2.94Å; Q306-V308 VanDerWaalsContact C-N 3.32Å; Q306-V308 PolarHBondContact O-N 3.41Å; V308-L311 WeakPolarHBondContact O-CB 3.38Å; V308-L311 PolarHBondContact O-N 3.05Å; V308-I312 HydrophobicContact CG1-CD1 4.07Å; V308-I312 WeakPolarHBondContact O-CG1 3.45Å; V308-I312 PolarHBondContact O-N 3.36Å
309G88.1Confident85.2Confident5 Ų545.5 Ų45.55%0.05223%0.227CC..Hα-helixtrans-74.2-29.4178.200000113.3L305 Q306 L311 I312 A313 C330L305-G309 PolarHBondContact O-N 2.87Å; Q306-G309 PolarHBondContact O-N 3.32Å; Q306-G309 VanDerWaalsContact O-N 3.16Å; G309-L311 VanDerWaalsContact C-N 3.32Å; G309-I312 PolarHBondContact O-N 3.26Å; G309-A313 WeakPolarHBondContact O-CB 3.44Å; G309-A313 PolarHBondContact O-N 3.09Å; G309-C330 VanDerWaalsContact CA-SG 3.51Å; G309-C330 PolarHBondContact O-SG 3.05Å
310V85.9Confident85.8Confident39 Ų3950 Ų5024%0.23625%0.246CC..Hα-helixtrans-62.6-40.8168.2174.20000110.4M229 A233 Q306 S307 I312 A313 A314M229-V310 HydrophobicContact CE-CG1 4.09Å; A233-V310 HydrophobicContact CB-CG1 4.13Å; Q306-V310 WeakPolarHBondContact O-CG2 3.38Å; Q306-V310 PolarHBondContact O-N 3.37Å; S307-V310 PolarHBondContact O-N 3.47Å; V310-I312 PolarHBondContact O-N 3.03Å; V310-A313 PolarHBondContact O-N 3.1Å; V310-A314 WeakPolarHBondContact O-CB 3.44Å; V310-A314 PolarHBondContact O-N 3.45Å
311L89.8Confident85.8Confident47 Ų4753.8 Ų53.825%0.24627%0.271CS..Hα-helixtrans-61.2-43173.8177.264.7000112.2L230 A233 A234 V237 S307 V308 G309 A314 Y315L230-L311 HydrophobicContact CD1-CD1 3.87Å; A233-L311 HydrophobicContact CB-CB 4.05Å; A233-L311 HydrophobicContact CB-CD1 4.05Å; A234-L311 HydrophobicContact CB-CD1 4.02Å; V237-L311 HydrophobicContact CB-CD2 4.42Å; V237-L311 HydrophobicContact CG2-CB 4.02Å; V237-L311 HydrophobicContact CG2-CD2 3.95Å; S307-L311 WeakPolarHBondContact O-CB 3.4Å; S307-L311 PolarHBondContact O-N 3.48Å; V308-L311 WeakPolarHBondContact O-CB 3.38Å; V308-L311 PolarHBondContact O-N 3.05Å; G309-L311 VanDerWaalsContact C-N 3.32Å; L311-A314 PolarHBondContact O-N 3.36Å; L311-Y315 WeakPolarHBondContact O-CB 3.48Å; L311-Y315 PolarHBondContact O-N 3.36Å
312I90Very high85.7Confident102 Ų10259.1 Ų59.152%0.52329%0.294SS..Hα-helixtrans-63.2-43.9175.2-67.4166.3000110.4V308 G309 V310 Y315 V316V308-I312 HydrophobicContact CG1-CD1 4.07Å; V308-I312 WeakPolarHBondContact O-CG1 3.45Å; V308-I312 PolarHBondContact O-N 3.36Å; G309-I312 PolarHBondContact O-N 3.26Å; V310-I312 PolarHBondContact O-N 3.03Å; I312-Y315 PolarHBondContact O-N 3.15Å; I312-V316 WeakPolarHBondContact O-CG2 3.39Å; I312-V316 PolarHBondContact O-N 3.01Å
313A86.3Confident85.8Confident4 Ų462.8 Ų62.83%0.03331%0.31CS..Hα-helixtrans-62.4-45.2177.300000111.6G309 V310 Y315 V316 V317 A326 D327 C330G309-A313 WeakPolarHBondContact O-CB 3.44Å; G309-A313 PolarHBondContact O-N 3.09Å; V310-A313 PolarHBondContact O-N 3.1Å; A313-Y315 VanDerWaalsContact C-N 3.33Å; A313-Y315 PolarHBondContact O-N 3.25Å; A313-V316 PolarHBondContact O-N 3.43Å; A313-V317 WeakPolarHBondContact O-CG2 3.21Å; A313-V317 PolarHBondContact O-N 3.11Å; A313-A326 HydrophobicContact CB-CB 4.47Å; A313-D327 HydrophobicContact CB-CB 4.16Å; A313-C330 HydrophobicContact CB-CB 4.32Å
314A85.5Confident85.6Confident0 Ų065.9 Ų65.90%032%0.323CS..Hα-helixtrans-58.9-43.7175.500000111.7M229 L230 A233 V310 L311 V316 V317 R318M229-A314 HydrophobicContact CB-CB 4.42Å; M229-A314 HydrophobicContact CE-CB 4.09Å; M229-A314 HydrophobicContact CG-CB 3.83Å; M229-A314 HydrophobicContact SD-CB 4Å; L230-A314 HydrophobicContact CB-CB 4.42Å; L230-A314 HydrophobicContact CD1-CB 4.16Å; A233-A314 HydrophobicContact CB-CB 4.48Å; V310-A314 WeakPolarHBondContact O-CB 3.44Å; V310-A314 PolarHBondContact O-N 3.45Å; L311-A314 PolarHBondContact O-N 3.36Å; A314-V316 PolarHBondContact O-N 3.05Å; A314-V317 PolarHBondContact O-N 3.14Å; A314-R318 VanDerWaalsContact O-CB 3.28Å; A314-R318 WeakPolarHBondContact O-CB 3.34Å; A314-R318 PolarHBondContact O-N 3.38Å
315Y89.5Confident85.5Confident133 Ų13367.6 Ų67.652%0.52233%0.332SS..Hα-helixtrans-60.6-45.3174.7-178.1-91.4000111.9L311 I312 A313 R318 F319L311-Y315 WeakPolarHBondContact O-CB 3.48Å; L311-Y315 PolarHBondContact O-N 3.36Å; I312-Y315 PolarHBondContact O-N 3.15Å; A313-Y315 VanDerWaalsContact C-N 3.33Å; A313-Y315 PolarHBondContact O-N 3.25Å; Y315-R318 PolarHBondContact O-N 2.9Å; Y315-F319 HydrophobicContact CD1-CD2 4.29Å; Y315-F319 AromaticContact CD2-CD2 3.93Å; Y315-F319 HydrophobicContact CD2-CD2 3.93Å; Y315-F319 AromaticContact CD2-CE2 3.68Å; Y315-F319 HydrophobicContact CD2-CE2 3.68Å; Y315-F319 HydrophobicContact CE1-CD2 4.01Å; Y315-F319 HydrophobicContact CE1-CE2 4.41Å; Y315-F319 AromaticContact CE2-CD2 3.64Å; Y315-F319 HydrophobicContact CE2-CD2 3.64Å; Y315-F319 AromaticContact CE2-CE2 3.22Å; Y315-F319 HydrophobicContact CE2-CE2 3.22Å; Y315-F319 HydrophobicContact CE2-CZ 4.18Å; Y315-F319 HydrophobicContact CG-CD2 4.25Å; Y315-F319 HydrophobicContact CG-CE2 4.44Å; Y315-F319 AromaticContact CZ-CD2 3.67Å; Y315-F319 AromaticContact CZ-CE2 3.64Å; Y315-F319 WeakPolarHBondContact O-CD2 3.37Å; Y315-F319 PolarHBondContact O-N 3.18Å
316V87.8Confident85.5Confident44 Ų4465.4 Ų65.427%0.26732%0.324SS..Hα-helixtrans-62.7-46.7177.9171.30000111.2I312 A313 A314 R318 F319 K320 L323 A326I312-V316 WeakPolarHBondContact O-CG2 3.39Å; I312-V316 PolarHBondContact O-N 3.01Å; A313-V316 PolarHBondContact O-N 3.43Å; A314-V316 PolarHBondContact O-N 3.05Å; V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 3.01Å; V316-F319 PolarHBondContact O-N 3.08Å; V316-K320 CarbonylContact O-C 3.53Å; V316-K320 WeakPolarHBondContact O-CA 3.27Å; V316-K320 PolarHBondContact O-N 3.28Å; V316-L323 HydrophobicContact CG1-CB 3.89Å; V316-L323 HydrophobicContact CG1-CD1 3.81Å; V316-A326 HydrophobicContact CB-CB 4.25Å; V316-A326 HydrophobicContact CG1-CB 3.9Å
317V83.1Confident85.4Confident15 Ų1564.3 Ų64.39%0.09132%0.319CS..Hα-helixtrans-61.9-37.9178.61720000111.1A313 A314 K320 P321A313-V317 WeakPolarHBondContact O-CG2 3.21Å; A313-V317 PolarHBondContact O-N 3.11Å; A314-V317 PolarHBondContact O-N 3.14Å; V317-K320 CarbonylContact O-C 3.47Å; V317-P321 WeakPolarHBondContact O-CA 3.47Å
318R85Confident85.4Confident103 Ų10363.7 Ų63.739%0.38932%0.315SS..Hα-helixtrans-66.5-38.9-179.1178.656178.486.4-7.2114.3D227 A314 Y315 V316D227-R318 IonicContact OD1-CZ 3.07Å; D227-R318 IonicContact OD1-NE 2.82Å; D227-R318 PolarHBondContact OD1-NE 3.2Å; D227-R318 IonicContact OD1-NH2 3.09Å; D227-R318 PolarHBondContact OD1-NH2 3.45Å; D227-R318 IonicContact OD2-CZ 3.95Å; D227-R318 IonicContact OD2-NE 2.74Å; D227-R318 IonicContact OD2-NH2 3.74Å; D227-R318 PolarHBondContact OD2-NH2 2.72Å; A314-R318 VanDerWaalsContact O-CB 3.28Å; A314-R318 WeakPolarHBondContact O-CB 3.34Å; A314-R318 PolarHBondContact O-N 3.38Å; Y315-R318 PolarHBondContact O-N 2.9Å; V316-R318 VanDerWaalsContact C-N 3.28Å; V316-R318 PolarHBondContact O-N 3.01Å
319F86.3Confident85.4Confident126 Ų12665.5 Ų65.555%0.55332%0.322SS*.Hα-helixtrans-96-21.8-178.9-73.4-80.1000113.2Y315 V316Y315-F319 HydrophobicContact CD1-CD2 4.29Å; Y315-F319 AromaticContact CD2-CD2 3.93Å; Y315-F319 HydrophobicContact CD2-CD2 3.93Å; Y315-F319 AromaticContact CD2-CE2 3.68Å; Y315-F319 HydrophobicContact CD2-CE2 3.68Å; Y315-F319 HydrophobicContact CE1-CD2 4.01Å; Y315-F319 HydrophobicContact CE1-CE2 4.41Å; Y315-F319 AromaticContact CE2-CD2 3.64Å; Y315-F319 HydrophobicContact CE2-CD2 3.64Å; Y315-F319 AromaticContact CE2-CE2 3.22Å; Y315-F319 HydrophobicContact CE2-CE2 3.22Å; Y315-F319 HydrophobicContact CE2-CZ 4.18Å; Y315-F319 HydrophobicContact CG-CD2 4.25Å; Y315-F319 HydrophobicContact CG-CE2 4.44Å; Y315-F319 AromaticContact CZ-CD2 3.67Å; Y315-F319 AromaticContact CZ-CE2 3.64Å; Y315-F319 WeakPolarHBondContact O-CD2 3.37Å; Y315-F319 PolarHBondContact O-N 3.18Å; V316-F319 PolarHBondContact O-N 3.08Å
320K86.8Confident85.4Confident132 Ų13266.3 Ų66.357%0.57433%0.326SS*.  trans-136.679.6178-66.9-171178.3-178.20109.8V316 V317 E322 L323V316-K320 CarbonylContact O-C 3.53Å; V316-K320 WeakPolarHBondContact O-CA 3.27Å; V316-K320 PolarHBondContact O-N 3.28Å; V317-K320 CarbonylContact O-C 3.47Å; K320-E322 PolarHBondContact O-N 3.2Å; K320-L323 HydrophobicContact CB-CD1 3.98Å; K320-L323 HydrophobicContact CB-CG 4.22Å; K320-L323 HydrophobicContact CD-CD1 3.82Å; K320-L323 PolarHBondContact O-N 3.48Å
321P78.2Confident85.5Confident83 Ų8365.7 Ų65.754%0.53932%0.323SS..G310 helixtrans-63.3-14.3-178.725.7-34.7000113.5V317 L323 K324V317-P321 WeakPolarHBondContact O-CA 3.47Å; P321-L323 PolarHBondContact O-N 3.46Å; P321-K324 WeakPolarHBondContact O-CG 3.48Å
322E80.4Confident85.6Confident190 Ų19066.9 Ų66.989%0.88832%0.324SS*.G310 helixtrans-66.2-22.5171.1-61.1178.2-178.400112.8K320 K324K320-E322 PolarHBondContact O-N 3.2Å; E322-K324 PolarHBondContact O-N 2.85Å
323L82.6Confident85.7Confident87 Ų8767.1 Ų67.146%0.45533%0.325SS..G310 helixtrans-95.745.1-179.2-61.9176.7000112.2V316 K320 P321 L325 A326V316-L323 HydrophobicContact CG1-CB 3.89Å; V316-L323 HydrophobicContact CG1-CD1 3.81Å; K320-L323 HydrophobicContact CB-CD1 3.98Å; K320-L323 HydrophobicContact CB-CG 4.22Å; K320-L323 HydrophobicContact CD-CD1 3.82Å; K320-L323 PolarHBondContact O-N 3.48Å; P321-L323 PolarHBondContact O-N 3.46Å; L323-L325 PolarHBondContact O-N 2.81Å; L323-A326 WeakPolarHBondContact O-CB 3.22Å; L323-A326 PolarHBondContact O-N 3.43Å
324K78.4Confident85.7Confident75 Ų7568.2 Ų68.233%0.32633%0.329SS..THydrogen-bonded Turntrans-57.7-21.9178.4-59.5-164.3174.3-171.70113.9F222 P321 E322 A326F222-K324 PolarHBondContact O-NZ 2.9Å; P321-K324 WeakPolarHBondContact O-CG 3.48Å; E322-K324 PolarHBondContact O-N 2.85Å; K324-A326 VanDerWaalsContact C-N 3.25Å; K324-A326 PolarHBondContact O-N 2.95Å
325L84.1Confident85.9Confident65 Ų6568.5 Ų68.534%0.3433%0.332SS..THydrogen-bonded Turntrans-75.7-7177.9-70.1178.2000114.3T217 L323 D327 P328 I329T217-L325 HydrophobicContact CG2-CD2 4.16Å; L323-L325 PolarHBondContact O-N 2.81Å; L325-D327 VanDerWaalsContact C-N 3.29Å; L325-D327 PolarHBondContact O-N 2.82Å; L325-P328 WeakPolarHBondContact O-CD 3.48Å; L325-I329 HydrophobicContact CB-CD1 4.24Å; L325-I329 WeakPolarHBondContact O-CB 2.93Å; L325-I329 WeakPolarHBondContact O-CD1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.15Å; L325-I329 PolarHBondContact O-N 3.34Å; L325-I329 VanDerWaalsContact O-N 3.15Å
326A84.6Confident85.9Confident24 Ų2467 Ų6720%0.19834%0.336CS..Hα-helixtrans-59.2-39.7179.200000112.5A313 V316 L323 K324 C330A313-A326 HydrophobicContact CB-CB 4.47Å; V316-A326 HydrophobicContact CB-CB 4.25Å; V316-A326 HydrophobicContact CG1-CB 3.9Å; L323-A326 WeakPolarHBondContact O-CB 3.22Å; L323-A326 PolarHBondContact O-N 3.43Å; K324-A326 VanDerWaalsContact C-N 3.25Å; K324-A326 PolarHBondContact O-N 2.95Å; A326-C330 VanDerWaalsContact O-CB 3.31Å; A326-C330 WeakPolarHBondContact O-CB 3.35Å; A326-C330 PolarHBondContact O-N 2.72Å; A326-C330 VanDerWaalsContact O-N 3.08Å
327D83.6Confident85.9Confident8 Ų867.7 Ų67.74%0.04334%0.338CS..Hα-helixtrans-65.5-56179.617567.7000112.4R216 M229 A313 L325 I329 C330 T331R216-D327 IonicContact NH1-OD2 2.9Å; R216-D327 PolarHBondContact NH1-OD2 2.87Å; M229-D327 HydrophobicContact CE-CB 4.27Å; M229-D327 WeakPolarHBondContact CE-OD1 3.31Å; A313-D327 HydrophobicContact CB-CB 4.16Å; L325-D327 VanDerWaalsContact C-N 3.29Å; L325-D327 PolarHBondContact O-N 2.82Å; D327-I329 VanDerWaalsContact C-N 3.34Å; D327-I329 PolarHBondContact O-N 3.37Å; D327-C330 WeakPolarHBondContact O-CA 3.33Å; D327-C330 WeakPolarHBondContact O-CB 2.96Å; D327-C330 PolarHBondContact O-N 3.43Å; D327-T331 PolarHBondContact O-N 3.4Å; D327-T331 PolarHBondContact O-OG1 2.9Å; D327-T331 VanDerWaalsContact O-OG1 3.11Å
328P87.6Confident86Confident2 Ų267.6 Ų67.61%0.01334%0.338CS..Hα-helixtrans-57-40175.3-27.533.3000114.8A213 R216 T217 L325 C330 T331 Y332A213-P328 HydrophobicContact CB-CB 4.27Å; R216-P328 HydrophobicContact CB-CG 4.04Å; T217-P328 WeakPolarHBondContact OG1-CB 3.32Å; L325-P328 WeakPolarHBondContact O-CD 3.48Å; P328-C330 VanDerWaalsContact C-N 3.28Å; P328-C330 PolarHBondContact O-N 3.35Å; P328-T331 PolarHBondContact O-N 3.11Å; P328-Y332 HydrophobicContact CB-CE2 4.26Å; P328-Y332 WeakPolarHBondContact O-CD2 3.04Å; P328-Y332 PolarHBondContact O-N 3.39Å
329I89.7Confident86.2Confident92 Ų9266 Ų6647%0.47234%0.336SS..Hα-helixtrans-60.9-42.5176.9-68.8168000110.4L325 D327 Y332 I333L325-I329 HydrophobicContact CB-CD1 4.24Å; L325-I329 WeakPolarHBondContact O-CB 2.93Å; L325-I329 WeakPolarHBondContact O-CD1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.15Å; L325-I329 PolarHBondContact O-N 3.34Å; L325-I329 VanDerWaalsContact O-N 3.15Å; D327-I329 VanDerWaalsContact C-N 3.34Å; D327-I329 PolarHBondContact O-N 3.37Å; I329-Y332 PolarHBondContact O-N 3.48Å; I329-I333 HydrophobicContact CG2-CD1 4.01Å; I329-I333 WeakPolarHBondContact O-CG1 3.27Å; I329-I333 PolarHBondContact O-N 3.38Å; I329-I333 VanDerWaalsContact O-N 3.14Å
330C88Confident86.3Confident21 Ų2168 Ų6814%0.14235%0.345CS..Hα-helixtrans-60.9-46.2176.6-154.90000111.3G309 A313 A326 D327 P328 Y332 I333 F334G309-C330 VanDerWaalsContact CA-SG 3.51Å; G309-C330 PolarHBondContact O-SG 3.05Å; A313-C330 HydrophobicContact CB-CB 4.32Å; A326-C330 VanDerWaalsContact O-CB 3.31Å; A326-C330 WeakPolarHBondContact O-CB 3.35Å; A326-C330 PolarHBondContact O-N 2.72Å; A326-C330 VanDerWaalsContact O-N 3.08Å; D327-C330 WeakPolarHBondContact O-CA 3.33Å; D327-C330 WeakPolarHBondContact O-CB 2.96Å; D327-C330 PolarHBondContact O-N 3.43Å; P328-C330 VanDerWaalsContact C-N 3.28Å; P328-C330 PolarHBondContact O-N 3.35Å; C330-Y332 PolarHBondContact O-N 3.23Å; C330-I333 PolarHBondContact O-N 2.96Å; C330-F334 WeakPolarHBondContact O-CD2 3.35Å; C330-F334 PolarHBondContact O-N 2.94Å; C330-F334 WeakPolarHBondContact SG-CE2 3.32Å
331T87.9Confident86.2Confident26 Ų2664.2 Ų64.216%0.1633%0.333CS..Hα-helixtrans-59.9-41.8176.8-45.10000112.5L209 A213 D327 P328 F334 S335L209-T331 HydrophobicContact CB-CG2 4.14Å; A213-T331 HydrophobicContact CB-CG2 3.97Å; D327-T331 PolarHBondContact O-N 3.4Å; D327-T331 PolarHBondContact O-OG1 2.9Å; D327-T331 VanDerWaalsContact O-OG1 3.11Å; P328-T331 PolarHBondContact O-N 3.11Å; T331-F334 PolarHBondContact O-N 3.28Å; T331-S335 VanDerWaalsContact O-CB 3.28Å; T331-S335 WeakPolarHBondContact O-CB 3.45Å; T331-S335 PolarHBondContact O-N 2.89Å; T331-S335 PolarHBondContact O-OG 2.96Å
332Y92Very high86.5Confident73 Ų7360.6 Ų60.629%0.28631%0.309SS..Hα-helixtrans-61.8-45.9176.7-64.9-44.6000112.1L210 A213 V214 T217 P328 I329 C330 F334 S335 V336L210-Y332 HydrophobicContact CD2-CD1 3.57Å; L210-Y332 HydrophobicContact CD2-CE1 4.08Å; A213-Y332 HydrophobicContact CB-CD1 4.5Å; A213-Y332 HydrophobicContact CB-CE1 3.92Å; A213-Y332 PolarHBondContact O-OH 3.34Å; V214-Y332 VanDerWaalsContact CA-OH 3.27Å; V214-Y332 WeakPolarHBondContact CA-OH 3.47Å; V214-Y332 HydrophobicContact CG2-CE1 3.99Å; V214-Y332 WeakPolarHBondContact CG2-OH 3.29Å; V214-Y332 PolarHBondContact N-OH 3.4Å; T217-Y332 PolarHBondContact OG1-OH 3.3Å; P328-Y332 HydrophobicContact CB-CE2 4.26Å; P328-Y332 WeakPolarHBondContact O-CD2 3.04Å; P328-Y332 PolarHBondContact O-N 3.39Å; I329-Y332 PolarHBondContact O-N 3.48Å; C330-Y332 PolarHBondContact O-N 3.23Å; Y332-F334 PolarHBondContact O-N 3.27Å; Y332-S335 PolarHBondContact O-N 3.26Å; Y332-V336 WeakPolarHBondContact O-CG2 3.32Å; Y332-V336 PolarHBondContact O-N 2.91Å
333I91.3Very high86.8Confident106 Ų10654.9 Ų54.954%0.54429%0.287SS..Hα-helixtrans-60.7-46.8179.6-68.1168.3000110.3I329 C330 V336 L337I329-I333 HydrophobicContact CG2-CD1 4.01Å; I329-I333 WeakPolarHBondContact O-CG1 3.27Å; I329-I333 PolarHBondContact O-N 3.38Å; I329-I333 VanDerWaalsContact O-N 3.14Å; C330-I333 PolarHBondContact O-N 2.96Å; I333-V336 PolarHBondContact O-N 3.48Å; I333-L337 PolarHBondContact O-N 3.07Å; I333-L337 VanDerWaalsContact O-N 3.12Å
334F87.3Confident86.8Confident27 Ų2757.4 Ų57.412%0.11829%0.291CS..Hα-helixtrans-70.1-36-179.4-71.8-55.8000113.5L305 Q306 C330 T331 Y332 V336 L337 V338L305-F334 HydrophobicContact CB-CD1 4.47Å; L305-F334 HydrophobicContact CB-CE1 4.01Å; L305-F334 VanDerWaalsContact O-CE1 3.27Å; L305-F334 WeakPolarHBondContact O-CE1 3.37Å; L305-F334 WeakPolarHBondContact O-CZ 3.29Å; Q306-F334 HydrophobicContact CB-CD2 4.45Å; Q306-F334 HydrophobicContact CB-CG 4.4Å; Q306-F334 HydrophobicContact CG-CD2 4.4Å; C330-F334 WeakPolarHBondContact O-CD2 3.35Å; C330-F334 PolarHBondContact O-N 2.94Å; C330-F334 WeakPolarHBondContact SG-CE2 3.32Å; T331-F334 PolarHBondContact O-N 3.28Å; Y332-F334 PolarHBondContact O-N 3.27Å; F334-V336 VanDerWaalsContact C-N 3.26Å; F334-V336 PolarHBondContact O-N 3.43Å; F334-L337 CarbonylContact O-C 3.6Å; F334-L337 WeakPolarHBondContact O-CB 3.4Å; F334-L337 PolarHBondContact O-N 2.97Å; F334-V338 WeakPolarHBondContact O-CB 3.4Å; F334-V338 WeakPolarHBondContact O-CG2 3.26Å; F334-V338 PolarHBondContact O-N 3.44Å
335S88.9Confident87Confident7 Ų754.6 Ų54.65%0.04928%0.279CS..Hα-helixtrans-60.2-40.7177-630000111L210 T331 Y332 L339L210-S335 WeakPolarHBondContact CD2-OG 3.21Å; L210-S335 WeakPolarHBondContact CG-OG 3.48Å; T331-S335 VanDerWaalsContact O-CB 3.28Å; T331-S335 WeakPolarHBondContact O-CB 3.45Å; T331-S335 PolarHBondContact O-N 2.89Å; T331-S335 PolarHBondContact O-OG 2.96Å; Y332-S335 PolarHBondContact O-N 3.26Å; S335-L339 WeakPolarHBondContact O-CB 3.48Å; S335-L339 VanDerWaalsContact O-CG 3.22Å; S335-L339 WeakPolarHBondContact O-CG 3.43Å; S335-L339 PolarHBondContact O-N 3.44Å
336V91.1Very high87.1Confident101 Ų10153.9 Ų53.961%0.61228%0.275SS*.Hα-helixtrans-64.6-42.2173174.80000111.7Y332 I333 F334 L339 F340Y332-V336 WeakPolarHBondContact O-CG2 3.32Å; Y332-V336 PolarHBondContact O-N 2.91Å; I333-V336 PolarHBondContact O-N 3.48Å; F334-V336 VanDerWaalsContact C-N 3.26Å; F334-V336 PolarHBondContact O-N 3.43Å; V336-L339 PolarHBondContact O-N 3.33Å; V336-F340 WeakPolarHBondContact O-CB 3.36Å; V336-F340 PolarHBondContact O-N 3.37Å
337L88Confident87.3Confident59 Ų5959.9 Ų59.931%0.30929%0.293SS..Hα-helixtrans-62.6-46.4177.7-171.9158000111.9L305 I333 F334 F340 T341L305-L337 HydrophobicContact CD1-CD1 4.28Å; L305-L337 HydrophobicContact CD1-CD2 4.21Å; I333-L337 PolarHBondContact O-N 3.07Å; I333-L337 VanDerWaalsContact O-N 3.12Å; F334-L337 CarbonylContact O-C 3.6Å; F334-L337 WeakPolarHBondContact O-CB 3.4Å; F334-L337 PolarHBondContact O-N 2.97Å; L337-F340 PolarHBondContact O-N 3Å; L337-T341 HydrophobicContact CD2-CG2 3.94Å; L337-T341 WeakPolarHBondContact O-CG2 3.45Å; L337-T341 PolarHBondContact O-N 3.48Å; L337-T341 PolarHBondContact O-OG1 3.31Å
338V85.3Confident87.3Confident13 Ų1360.9 Ų60.98%0.07930%0.298CS..Hα-helixtrans-61.5-46.7177.9170.20000110.2I202 F334 F340 T341 T342I202-V338 HydrophobicContact CG2-CG1 3.46Å; I202-V338 VanDerWaalsContact CG2-CG1 3.46Å; F334-V338 WeakPolarHBondContact O-CB 3.4Å; F334-V338 WeakPolarHBondContact O-CG2 3.26Å; F334-V338 PolarHBondContact O-N 3.44Å; V338-F340 PolarHBondContact O-N 3.05Å; V338-T341 PolarHBondContact O-N 3Å; V338-T341 PolarHBondContact O-OG1 3.37Å; V338-T341 VanDerWaalsContact O-OG1 3.04Å; V338-T342 HydrophobicContact CG1-CG2 4.28Å; V338-T342 WeakPolarHBondContact O-CB 3.35Å; V338-T342 WeakPolarHBondContact O-CG2 3.36Å; V338-T342 PolarHBondContact O-N 3.23Å; V338-T342 PolarHBondContact O-OG1 3.07Å
339L87.9Confident87.2Confident70 Ų7061 Ų6137%0.36630%0.298SS..Hα-helixtrans-58.7-46.2174.9-71.9170.6000111.6Y203 S335 V336 T341 T342 V343Y203-L339 HydrophobicContact CD1-CD2 4.14Å; Y203-L339 HydrophobicContact CE1-CD2 3.76Å; Y203-L339 HydrophobicContact CE2-CD2 4.36Å; S335-L339 WeakPolarHBondContact O-CB 3.48Å; S335-L339 VanDerWaalsContact O-CG 3.22Å; S335-L339 WeakPolarHBondContact O-CG 3.43Å; S335-L339 PolarHBondContact O-N 3.44Å; V336-L339 PolarHBondContact O-N 3.33Å; L339-T341 PolarHBondContact O-N 3.38Å; L339-T342 PolarHBondContact O-OG1 3.45Å; L339-V343 WeakPolarHBondContact O-CG2 3.26Å; L339-V343 PolarHBondContact O-N 3.39Å
340F89.1Confident87.2Confident168 Ų16860.7 Ų60.774%0.73730%0.297SS*.Hα-helixtrans-63.4-45-179.6-179.4-98.3000113V336 L337 V338V336-F340 WeakPolarHBondContact O-CB 3.36Å; V336-F340 PolarHBondContact O-N 3.37Å; L337-F340 PolarHBondContact O-N 3Å; V338-F340 PolarHBondContact O-N 3.05Å
341T84Confident87.3Confident52 Ų5262.2 Ų62.232%0.31931%0.305SS..Hα-helixtrans-68.9-38-177.752.10000112.4L337 V338 L339L337-T341 HydrophobicContact CD2-CG2 3.94Å; L337-T341 WeakPolarHBondContact O-CG2 3.45Å; L337-T341 PolarHBondContact O-N 3.48Å; L337-T341 PolarHBondContact O-OG1 3.31Å; V338-T341 PolarHBondContact O-N 3Å; V338-T341 PolarHBondContact O-OG1 3.37Å; V338-T341 VanDerWaalsContact O-OG1 3.04Å; L339-T341 PolarHBondContact O-N 3.38Å
342T83.8Confident87.3Confident7 Ų761.7 Ų61.74%0.04330%0.302CS..Hα-helixtrans-75.4-28.4-179.1530000113.8V199 Y203 V338 L339 R344 I345 I346V199-T342 HydrophobicContact CG1-CG2 4.45Å; Y203-T342 HydrophobicContact CE1-CG2 4.26Å; Y203-T342 WeakPolarHBondContact CE1-OG1 3.29Å; Y203-T342 PolarHBondContact OH-OG1 3.05Å; V338-T342 HydrophobicContact CG1-CG2 4.28Å; V338-T342 WeakPolarHBondContact O-CB 3.35Å; V338-T342 WeakPolarHBondContact O-CG2 3.36Å; V338-T342 PolarHBondContact O-N 3.23Å; V338-T342 PolarHBondContact O-OG1 3.07Å; L339-T342 PolarHBondContact O-OG1 3.45Å; T342-R344 PolarHBondContact O-N 2.98Å; T342-R344 VanDerWaalsContact O-N 3.12Å; T342-I345 WeakPolarHBondContact O-CA 3.47Å; T342-I345 WeakPolarHBondContact O-CB 3.38Å; T342-I345 PolarHBondContact O-N 3.33Å; T342-I346 PolarHBondContact O-N 2.96Å
343V86.9Confident87.2Confident70 Ų7062 Ų6242%0.42431%0.311SS..Hα-helixtrans-53.5-36.2176.1162.10000111.7L339 R347L339-V343 WeakPolarHBondContact O-CG2 3.26Å; L339-V343 PolarHBondContact O-N 3.39Å; V343-R347 WeakPolarHBondContact O-CB 3.33Å; V343-R347 PolarHBondContact O-N 3.19Å
344R83.3Confident87.2Confident139 Ų13963.2 Ų63.253%0.52532%0.318SS..Hα-helixtrans-64.4-43176.2-171-177176.6110.60.6112T342 R347 D348T342-R344 PolarHBondContact O-N 2.98Å; T342-R344 VanDerWaalsContact O-N 3.12Å; R344-R347 PolarHBondContact O-N 3.12Å; R344-D348 VanDerWaalsContact O-CG 3.25Å; R344-D348 PolarHBondContact O-N 3.18Å; R344-D348 VanDerWaalsContact O-N 3.11Å
345I82.8Confident87.4Confident17 Ų1766.8 Ų66.89%0.08734%0.335CS..Hα-helixtrans-65.8-46.1179.5-59.9176.2000109.7V199 I298 T342 R347 D348 T349V199-I345 HydrophobicContact CG2-CG2 4Å; I298-I345 HydrophobicContact CB-CD1 4.23Å; I298-I345 HydrophobicContact CD1-CD1 4Å; I298-I345 HydrophobicContact CD1-CG1 4.35Å; I298-I345 HydrophobicContact CG2-CD1 4.02Å; T342-I345 WeakPolarHBondContact O-CA 3.47Å; T342-I345 WeakPolarHBondContact O-CB 3.38Å; T342-I345 PolarHBondContact O-N 3.33Å; I345-R347 VanDerWaalsContact C-N 3.34Å; I345-R347 PolarHBondContact O-N 3.39Å; I345-D348 PolarHBondContact O-N 3.39Å; I345-T349 WeakPolarHBondContact O-CB 3.4Å; I345-T349 PolarHBondContact O-N 3.06Å; I345-T349 PolarHBondContact O-OG1 3.25Å
346I86.2Confident87.5Confident49 Ų4967.5 Ų67.525%0.25134%0.343SS..Hα-helixtrans-57.8-47.6177.6-66.1177.7000110.6V199 Y203 T342 D348 T349 I350V199-I346 HydrophobicContact CB-CG1 4.47Å; V199-I346 HydrophobicContact CG1-CD1 3.63Å; V199-I346 HydrophobicContact CG1-CG1 3.59Å; Y203-I346 HydrophobicContact CE1-CD1 4.48Å; Y203-I346 HydrophobicContact CE2-CD1 3.54Å; Y203-I346 VanDerWaalsContact OH-CD1 3.23Å; Y203-I346 WeakPolarHBondContact OH-CD1 3.22Å; T342-I346 PolarHBondContact O-N 2.96Å; I346-D348 VanDerWaalsContact C-N 3.33Å; I346-D348 PolarHBondContact O-N 2.91Å; I346-T349 PolarHBondContact O-N 3.21Å; I346-I350 HydrophobicContact CG2-CD1 3.51Å; I346-I350 HydrophobicContact CG2-CG1 4.12Å; I346-I350 WeakPolarHBondContact O-CB 3.28Å; I346-I350 VanDerWaalsContact O-CG1 3.27Å; I346-I350 WeakPolarHBondContact O-CG1 3.22Å; I346-I350 PolarHBondContact O-N 3.47Å
347R87.8Confident87.5Confident151 Ų15165.4 Ų65.457%0.5733%0.33SS*.Hα-helixtrans-59.5-44.2178.6-174.7-176.5-73.1154.2-2.8111.8V343 R344 I345 T349 V351 R359V343-R347 WeakPolarHBondContact O-CB 3.33Å; V343-R347 PolarHBondContact O-N 3.19Å; R344-R347 PolarHBondContact O-N 3.12Å; I345-R347 VanDerWaalsContact C-N 3.34Å; I345-R347 PolarHBondContact O-N 3.39Å; R347-T349 VanDerWaalsContact C-N 3.32Å; R347-V351 VanDerWaalsContact O-CG2 3.32Å; R347-V351 WeakPolarHBondContact O-CG2 3.48Å; R347-V351 PolarHBondContact O-N 3.37Å; R347-R359 VanDerWaalsContact CD-NH2 3.32Å
348D84.1Confident87.4Confident28 Ų2863.4 Ų63.415%0.1532%0.321CS..Hα-helixtrans-64.1-41.7179.8-68.56000110.7R344 I345 I346 V351 I352 R359R344-D348 VanDerWaalsContact O-CG 3.25Å; R344-D348 PolarHBondContact O-N 3.18Å; R344-D348 VanDerWaalsContact O-N 3.11Å; I345-D348 PolarHBondContact O-N 3.39Å; I346-D348 VanDerWaalsContact C-N 3.33Å; I346-D348 PolarHBondContact O-N 2.91Å; D348-V351 PolarHBondContact O-N 3.39Å; D348-I352 WeakPolarHBondContact O-CG1 3.49Å; D348-I352 PolarHBondContact O-N 3.04Å; D348-R359 IonicContact OD1-CZ 2.72Å; D348-R359 IonicContact OD1-NE 2.87Å; D348-R359 IonicContact OD1-NH1 3.26Å; D348-R359 PolarHBondContact OD1-NH1 2.85Å; D348-R359 IonicContact OD1-NH2 2.97Å; D348-R359 PolarHBondContact OD1-NH2 3.26Å; D348-R359 IonicContact OD2-NH1 2.74Å; D348-R359 PolarHBondContact OD2-NH1 2.97Å
349T85.8Confident87.3Confident4 Ų469.5 Ų69.53%0.02534%0.342CS..Hα-helixtrans-68.5-43179-65.20000112.9V192 V196 I345 I346 R347 V351 I352 V353V192-T349 HydrophobicContact CG1-CG2 3.59Å; V196-T349 HydrophobicContact CB-CG2 4.46Å; V196-T349 HydrophobicContact CG2-CG2 3.13Å; I345-T349 WeakPolarHBondContact O-CB 3.4Å; I345-T349 PolarHBondContact O-N 3.06Å; I345-T349 PolarHBondContact O-OG1 3.25Å; I346-T349 PolarHBondContact O-N 3.21Å; R347-T349 VanDerWaalsContact C-N 3.32Å; T349-V351 VanDerWaalsContact C-N 3.29Å; T349-V351 PolarHBondContact O-N 2.9Å; T349-I352 PolarHBondContact O-N 3.31Å; T349-I352 VanDerWaalsContact O-N 3.11Å; T349-V353 HydrophobicContact CG2-CG2 4.42Å; T349-V353 WeakPolarHBondContact O-CG2 3.29Å; T349-V353 PolarHBondContact O-N 3.16Å
350I89.7Confident87.1Confident87 Ų8771 Ų7145%0.44635%0.347SS..Hα-helixtrans-59.1-43.1176.1-73171.8000110.5I346 I352 V353 L354I346-I350 HydrophobicContact CG2-CD1 3.51Å; I346-I350 HydrophobicContact CG2-CG1 4.12Å; I346-I350 WeakPolarHBondContact O-CB 3.28Å; I346-I350 VanDerWaalsContact O-CG1 3.27Å; I346-I350 WeakPolarHBondContact O-CG1 3.22Å; I346-I350 PolarHBondContact O-N 3.47Å; I350-I352 VanDerWaalsContact C-N 3.27Å; I350-I352 PolarHBondContact O-N 2.86Å; I350-V353 PolarHBondContact O-N 3.06Å; I350-L354 HydrophobicContact CG2-CD1 3.54Å; I350-L354 HydrophobicContact CG2-CG 4.12Å; I350-L354 WeakPolarHBondContact O-CB 3.09Å; I350-L354 WeakPolarHBondContact O-CG 3.35Å; I350-L354 PolarHBondContact O-N 2.97Å
351V89.4Confident87Confident52 Ų5263.7 Ų63.732%0.31532%0.316SS..Hα-helixtrans-58.5-41.2176.5170.40000110.9R347 D348 T349 E355 G356R347-V351 VanDerWaalsContact O-CG2 3.32Å; R347-V351 WeakPolarHBondContact O-CG2 3.48Å; R347-V351 PolarHBondContact O-N 3.37Å; D348-V351 PolarHBondContact O-N 3.39Å; T349-V351 VanDerWaalsContact C-N 3.29Å; T349-V351 PolarHBondContact O-N 2.9Å; V351-E355 PolarHBondContact O-N 3.36Å; V351-G356 WeakPolarHBondContact O-CA 3.34Å; V351-G356 PolarHBondContact O-N 2.96Å
352I89.2Confident87.3Confident15 Ų1564.4 Ų64.48%0.07732%0.318CS..Hα-helixtrans-69.1-42178.5-60.3164.3000111.5V192 L291 D348 T349 I350 L354 E355 A386V192-I352 HydrophobicContact CB-CG2 4.49Å; V192-I352 HydrophobicContact CG1-CB 4.14Å; V192-I352 HydrophobicContact CG1-CG2 4.06Å; V192-I352 HydrophobicContact CG2-CB 4.49Å; V192-I352 HydrophobicContact CG2-CD1 4.42Å; V192-I352 HydrophobicContact CG2-CG2 3.72Å; L291-I352 HydrophobicContact CD2-CD1 4.19Å; D348-I352 WeakPolarHBondContact O-CG1 3.49Å; D348-I352 PolarHBondContact O-N 3.04Å; T349-I352 PolarHBondContact O-N 3.31Å; T349-I352 VanDerWaalsContact O-N 3.11Å; I350-I352 VanDerWaalsContact C-N 3.27Å; I350-I352 PolarHBondContact O-N 2.86Å; I352-L354 VanDerWaalsContact C-N 3.32Å; I352-L354 PolarHBondContact O-N 3.31Å; I352-E355 PolarHBondContact O-N 3.04Å; I352-A386 HydrophobicContact CG1-CB 4Å; I352-A386 HydrophobicContact CG2-CB 4.28Å
353V89.7Confident87.7Confident80 Ų8066 Ų6649%0.48533%0.328SS..Hα-helixtrans-65.2-37179.2172.80000111.6V192 T349 I350 E355V192-V353 HydrophobicContact CG1-CG2 3.81Å; T349-V353 HydrophobicContact CG2-CG2 4.42Å; T349-V353 WeakPolarHBondContact O-CG2 3.29Å; T349-V353 PolarHBondContact O-N 3.16Å; I350-V353 PolarHBondContact O-N 3.06Å; V353-E355 PolarHBondContact O-N 2.9Å
354L91.6Very high88Confident131 Ų13168 Ų6869%0.68633%0.333SS*.THydrogen-bonded Turntrans-83.914.3177.4-64.2178.9000113.6I350 I352 G356I350-L354 HydrophobicContact CG2-CD1 3.54Å; I350-L354 HydrophobicContact CG2-CG 4.12Å; I350-L354 WeakPolarHBondContact O-CB 3.09Å; I350-L354 WeakPolarHBondContact O-CG 3.35Å; I350-L354 PolarHBondContact O-N 2.97Å; I352-L354 VanDerWaalsContact C-N 3.32Å; I352-L354 PolarHBondContact O-N 3.31Å; L354-G356 PolarHBondContact O-N 3.01Å; L354-G356 VanDerWaalsContact O-N 3.16Å
355E91.9Very high88.4Confident103 Ų10369 Ų6948%0.48134%0.336SS..THydrogen-bonded Turntrans57.629.8179-49-165.3148.400113.7R189 V351 I352 V353 W385R189-E355 IonicContact CZ-OE1 2.85Å; R189-E355 IonicContact NH1-OE1 3.52Å; R189-E355 PolarHBondContact NH1-OE1 3.36Å; R189-E355 IonicContact NH2-OE1 2.9Å; R189-E355 PolarHBondContact NH2-OE1 2.99Å; V351-E355 PolarHBondContact O-N 3.36Å; I352-E355 PolarHBondContact O-N 3.04Å; V353-E355 PolarHBondContact O-N 2.9Å; E355-W385 HydrophobicContact CB-CB 4.03Å; E355-W385 WeakPolarHBondContact O-CB 3.42Å
356G90.1Very high89Confident21 Ų2168.2 Ų68.222%0.21633%0.332CS..PPolyproline II helixtrans-74.4160.2179.200000113.6V351 L354 A386V351-G356 WeakPolarHBondContact O-CA 3.34Å; V351-G356 PolarHBondContact O-N 2.96Å; L354-G356 PolarHBondContact O-N 3.01Å; L354-G356 VanDerWaalsContact O-N 3.16Å; G356-A386 PolarHBondContact O-N 2.91Å
357V91Very high89.3Confident57 Ų5769.7 Ų69.735%0.34534%0.337SS..PPolyproline II helixtrans-69.1130.6177.4-175.70000109.5L361 T363 V384V357-L361 HydrophobicContact CG1-CB 4.1Å; V357-T363 HydrophobicContact CB-CG2 4.49Å; V357-T363 HydrophobicContact CG1-CG2 3.93Å; V357-T363 HydrophobicContact CG2-CG2 3.74Å; V357-V384 WeakPolarHBondContact CG2-O 3.42Å
358P86.6Confident89.7Confident17 Ų1767.5 Ų67.511%0.1133%0.333CS..PPolyproline II helixtrans-67.4145.5176.430.1-36.6000111.3H360 L361 A386 T392P358-H360 PolarHBondContact O-N 3.35Å; P358-L361 HydrophobicContact CG-CB 4.17Å; P358-L361 HydrophobicContact CG-CD1 3.57Å; P358-L361 HydrophobicContact CG-CG 3.85Å; P358-L361 PolarHBondContact O-N 3.33Å; P358-A386 HydrophobicContact CB-CB 4.34Å; P358-T392 HydrophobicContact CG-CG2 3.85Å
359R83.4Confident90.1Very high141 Ų14168.2 Ų68.253%0.53234%0.337SS..THydrogen-bonded Turntrans-58.7-20.2-172.5-69.2-170.2176.9136.611.1116.3R347 D348R347-R359 VanDerWaalsContact CD-NH2 3.32Å; D348-R359 IonicContact OD1-CZ 2.72Å; D348-R359 IonicContact OD1-NE 2.87Å; D348-R359 IonicContact OD1-NH1 3.26Å; D348-R359 PolarHBondContact OD1-NH1 2.85Å; D348-R359 IonicContact OD1-NH2 2.97Å; D348-R359 PolarHBondContact OD1-NH2 3.26Å; D348-R359 IonicContact OD2-NH1 2.74Å; D348-R359 PolarHBondContact OD2-NH1 2.97Å
360H82.7Confident90.5Very high101 Ų10168 Ų6847%0.46834%0.336SS..THydrogen-bonded Turntrans-86.7-10.6-179.762.3-94.9000112.9P358P358-H360 PolarHBondContact O-N 3.35Å
361L86.7Confident90.7Very high16 Ų1667.4 Ų67.48%0.08433%0.333CS..  trans-103.5131.5178.6-63.7-179.3000110.5V357 P358 I366 V384 T392 Y423 L425V357-L361 HydrophobicContact CG1-CB 4.1Å; P358-L361 HydrophobicContact CG-CB 4.17Å; P358-L361 HydrophobicContact CG-CD1 3.57Å; P358-L361 HydrophobicContact CG-CG 3.85Å; P358-L361 PolarHBondContact O-N 3.33Å; L361-I366 HydrophobicContact CB-CD1 4.36Å; L361-I366 HydrophobicContact CD2-CD1 4.49Å; L361-V384 HydrophobicContact CD1-CG1 3.68Å; L361-T392 HydrophobicContact CD1-CG2 4.48Å; L361-Y423 HydrophobicContact CD2-CD1 4.17Å; L361-L425 HydrophobicContact CD1-CD2 3.74Å
362D91.2Very high90.9Very high66 Ų6671.9 Ų71.935%0.35335%0.348SS..  trans-107.1108.1171.3-174.5-8.8000108.7Q364 R365 I366D362-Q364 PolarHBondContact O-N 3.36Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.48Å; D362-Q364 PolarHBondContact OD1-N 3.33Å; D362-R365 HydrophobicContact CB-CB 4.21Å; D362-R365 HydrophobicContact CB-CG 4.08Å; D362-R365 PolarHBondContact O-N 3.24Å; D362-R365 WeakPolarHBondContact OD2-CG 3.45Å; D362-R365 IonicContact OD2-NE 3.33Å; D362-R365 PolarHBondContact OD2-NE 3.26Å; D362-I366 WeakPolarHBondContact O-CG1 3.24Å; D362-I366 PolarHBondContact O-N 2.75Å; D362-I366 VanDerWaalsContact O-N 3.12Å
363T91.4Very high91Very high41 Ų4172.7 Ų72.725%0.25235%0.352SS..Hα-helixtrans-58.8-30.2179.255.40000112.9V357 K367 L382V357-T363 HydrophobicContact CB-CG2 4.49Å; V357-T363 HydrophobicContact CG1-CG2 3.93Å; V357-T363 HydrophobicContact CG2-CG2 3.74Å; T363-K367 WeakPolarHBondContact O-CB 3.4Å; T363-K367 PolarHBondContact O-N 3.41Å; T363-L382 WeakPolarHBondContact O-CD2 3.47Å
364Q92.8Very high90.9Very high113 Ų11375.4 Ų75.453%0.52836%0.36SS..Hα-helixtrans-69.9-45.8-180-64.4-61.2-29.200110.7D362 I366 K367 E368D362-Q364 PolarHBondContact O-N 3.36Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.48Å; D362-Q364 PolarHBondContact OD1-N 3.33Å; Q364-I366 VanDerWaalsContact C-N 3.35Å; Q364-I366 PolarHBondContact O-N 2.88Å; Q364-K367 WeakPolarHBondContact O-CB 3.37Å; Q364-K367 PolarHBondContact O-N 3.41Å; Q364-K367 VanDerWaalsContact O-N 3.17Å; Q364-E368 WeakPolarHBondContact O-CG 3.43Å; Q364-E368 PolarHBondContact O-N 3.23Å
365R93.2Very high90.7Very high159 Ų15971.6 Ų71.660%0.634%0.34SS*.Hα-helixtrans-62.4-41.5175.9-66.3179.8-169-162.6-5.1112.4D362 K367 E368 D369 Y423D362-R365 HydrophobicContact CB-CB 4.21Å; D362-R365 HydrophobicContact CB-CG 4.08Å; D362-R365 PolarHBondContact O-N 3.24Å; D362-R365 WeakPolarHBondContact OD2-CG 3.45Å; D362-R365 IonicContact OD2-NE 3.33Å; D362-R365 PolarHBondContact OD2-NE 3.26Å; R365-K367 VanDerWaalsContact C-N 3.29Å; R365-K367 PolarHBondContact O-N 3.34Å; R365-E368 PolarHBondContact O-N 2.91Å; R365-D369 PolarHBondContact O-N 2.9Å; R365-Y423 PolarHBondContact O-OH 3.3Å
366I93.8Very high90.6Very high0 Ų067.5 Ų67.50%032%0.322CS..Hα-helixtrans-59.1-45.2175.3-65.8167000109.9L361 D362 Q364 D369 L370 L382 V384 L419 Y423L361-I366 HydrophobicContact CB-CD1 4.36Å; L361-I366 HydrophobicContact CD2-CD1 4.49Å; D362-I366 WeakPolarHBondContact O-CG1 3.24Å; D362-I366 PolarHBondContact O-N 2.75Å; D362-I366 VanDerWaalsContact O-N 3.12Å; Q364-I366 VanDerWaalsContact C-N 3.35Å; Q364-I366 PolarHBondContact O-N 2.88Å; I366-D369 PolarHBondContact O-N 3.11Å; I366-L370 HydrophobicContact CG2-CD1 3.88Å; I366-L370 HydrophobicContact CG2-CG 4.43Å; I366-L370 WeakPolarHBondContact O-CB 3.31Å; I366-L370 VanDerWaalsContact O-CG 3.24Å; I366-L370 WeakPolarHBondContact O-CG 3.38Å; I366-L370 PolarHBondContact O-N 2.92Å; I366-L382 HydrophobicContact CB-CD2 4.1Å; I366-L382 HydrophobicContact CG2-CD1 4.16Å; I366-L382 HydrophobicContact CG2-CD2 3.85Å; I366-V384 HydrophobicContact CD1-CG2 4.5Å; I366-L419 HydrophobicContact CG2-CD2 3.71Å; I366-Y423 HydrophobicContact CB-CE1 4.49Å; I366-Y423 HydrophobicContact CB-CE2 4.44Å; I366-Y423 HydrophobicContact CD1-CD1 4.05Å; I366-Y423 HydrophobicContact CD1-CE1 4.26Å; I366-Y423 HydrophobicContact CD1-CG 4.36Å; I366-Y423 HydrophobicContact CG1-CD1 3.57Å; I366-Y423 HydrophobicContact CG1-CD2 4.08Å; I366-Y423 HydrophobicContact CG1-CE1 3.36Å; I366-Y423 HydrophobicContact CG1-CE2 3.91Å; I366-Y423 HydrophobicContact CG1-CG 3.92Å; I366-Y423 PolarHBondContact N-OH 3.27Å
367K93.7Very high90.5Very high81 Ų8170.9 Ų70.935%0.35233%0.332SS..Hα-helixtrans-62.6-45.5177.7-172.9176.1-178.5173.10112T363 Q364 R365 D369 L370 L371 V379 L382T363-K367 WeakPolarHBondContact O-CB 3.4Å; T363-K367 PolarHBondContact O-N 3.41Å; Q364-K367 WeakPolarHBondContact O-CB 3.37Å; Q364-K367 PolarHBondContact O-N 3.41Å; Q364-K367 VanDerWaalsContact O-N 3.17Å; R365-K367 VanDerWaalsContact C-N 3.29Å; R365-K367 PolarHBondContact O-N 3.34Å; K367-D369 PolarHBondContact O-N 3.45Å; K367-L370 PolarHBondContact O-N 2.93Å; K367-L371 HydrophobicContact CG-CD1 4.28Å; K367-L371 VanDerWaalsContact O-CG 3.32Å; K367-L371 WeakPolarHBondContact O-CG 3.4Å; K367-L371 PolarHBondContact O-N 3.31Å; K367-V379 HydrophobicContact CG-CB 4.04Å; K367-V379 HydrophobicContact CG-CG1 4.3Å; K367-V379 HydrophobicContact CG-CG2 4.25Å; K367-L382 HydrophobicContact CB-CD2 4.06Å
368E94.8Very high90.5Very high104 Ų10469.5 Ų69.549%0.48633%0.325SS..Hα-helixtrans-60.4-42.6177.1-73.5173-168.900112.2Q364 R365 L371 K372Q364-E368 WeakPolarHBondContact O-CG 3.43Å; Q364-E368 PolarHBondContact O-N 3.23Å; R365-E368 PolarHBondContact O-N 2.91Å; E368-L371 PolarHBondContact O-N 3.27Å; E368-K372 WeakPolarHBondContact O-CG 3.45Å; E368-K372 PolarHBondContact O-N 2.98Å
369D94.1Very high90.8Very high44 Ų4469 Ų6924%0.23532%0.322CS..Hα-helixtrans-71.9-32.8179-71.9-17.7000112.7R365 I366 K367 L371 K372 L418 Y423R365-D369 PolarHBondContact O-N 2.9Å; I366-D369 PolarHBondContact O-N 3.11Å; K367-D369 PolarHBondContact O-N 3.45Å; D369-L371 VanDerWaalsContact C-N 3.33Å; D369-K372 PolarHBondContact O-N 3.32Å; D369-K372 IonicContact OD1-NZ 3.53Å; D369-K372 PolarHBondContact OD1-NZ 3.17Å; D369-L418 HydrophobicContact CB-CD2 3.96Å; D369-Y423 HydrophobicContact CB-CE2 4.49Å; D369-Y423 PolarHBondContact OD2-OH 3.33Å
370L93.6Very high91Very high0 Ų066.4 Ų66.40%032%0.318CS..Hα-helixtrans-66-36.5171.5-73.4168.3000111.9I366 K367 K372 L373 V379 V396 L398 A415 L418I366-L370 HydrophobicContact CG2-CD1 3.88Å; I366-L370 HydrophobicContact CG2-CG 4.43Å; I366-L370 WeakPolarHBondContact O-CB 3.31Å; I366-L370 VanDerWaalsContact O-CG 3.24Å; I366-L370 WeakPolarHBondContact O-CG 3.38Å; I366-L370 PolarHBondContact O-N 2.92Å; K367-L370 PolarHBondContact O-N 2.93Å; L370-K372 VanDerWaalsContact C-N 3.26Å; L370-K372 PolarHBondContact O-N 3.17Å; L370-L373 HydrophobicContact CD2-CD1 4.12Å; L370-L373 WeakPolarHBondContact O-CB 3.07Å; L370-L373 PolarHBondContact O-N 3.37Å; L370-V379 HydrophobicContact CB-CG2 3.91Å; L370-V396 HydrophobicContact CD1-CG1 3.82Å; L370-V396 HydrophobicContact CD1-CG2 4.5Å; L370-L398 HydrophobicContact CB-CD2 4.49Å; L370-A415 HydrophobicContact CD2-CB 3.9Å; L370-L418 HydrophobicContact CD2-CD2 4.04Å; L370-L418 HydrophobicContact CG-CD2 4.33Å
371L93.9Very high91.5Very high73 Ų7365.9 Ų65.938%0.38232%0.316SS..Hα-helixtrans-70-20.3175.6-73.1168.3000113.4K367 E368 D369 L373 V376 V379K367-L371 HydrophobicContact CG-CD1 4.28Å; K367-L371 VanDerWaalsContact O-CG 3.32Å; K367-L371 WeakPolarHBondContact O-CG 3.4Å; K367-L371 PolarHBondContact O-N 3.31Å; E368-L371 PolarHBondContact O-N 3.27Å; D369-L371 VanDerWaalsContact C-N 3.33Å; L371-L373 VanDerWaalsContact C-N 3.27Å; L371-V376 HydrophobicContact CD2-CG1 4.46Å; L371-V379 HydrophobicContact CD2-CG2 3.93Å; L371-V379 HydrophobicContact CG-CG2 3.94Å
372K93.8Very high91.8Very high147 Ų14766.6 Ų66.664%0.63932%0.32SS*.THydrogen-bonded Turntrans-78.2-12175.1-70169.1-162.6160.20113E368 D369 L370 E374E368-K372 WeakPolarHBondContact O-CG 3.45Å; E368-K372 PolarHBondContact O-N 2.98Å; D369-K372 PolarHBondContact O-N 3.32Å; D369-K372 IonicContact OD1-NZ 3.53Å; D369-K372 PolarHBondContact OD1-NZ 3.17Å; L370-K372 VanDerWaalsContact C-N 3.26Å; L370-K372 PolarHBondContact O-N 3.17Å; K372-E374 PolarHBondContact O-N 3.44Å
373L90.8Very high91.9Very high31 Ų3166.7 Ų66.716%0.16232%0.32CS..SBendtrans-67.1133.6175.4-64.9174.7000109.4L370 L371 V376 K414 A415L370-L373 HydrophobicContact CD2-CD1 4.12Å; L370-L373 WeakPolarHBondContact O-CB 3.07Å; L370-L373 PolarHBondContact O-N 3.37Å; L371-L373 VanDerWaalsContact C-N 3.27Å; L373-V376 HydrophobicContact CB-CB 4.47Å; L373-V376 HydrophobicContact CB-CG2 3.73Å; L373-V376 PolarHBondContact O-N 2.98Å; L373-K414 HydrophobicContact CD2-CB 4.11Å; L373-A415 HydrophobicContact CD1-CB 3.77Å
374E87.3Confident92.1Very high138 Ų13865.1 Ų65.165%0.64531%0.311SS*.THydrogen-bonded Turntrans-53.4144.1171.1-66169.316600109.7K372 V376 K414K372-E374 PolarHBondContact O-N 3.44Å; E374-V376 PolarHBondContact O-N 3.32Å; E374-K414 IonicContact OE2-NZ 3.93Å
375D87.4Confident92.1Very high51 Ų5162 Ų6227%0.27329%0.294SS..THydrogen-bonded Turntrans69.81.3179-55-43.6000116.9L400 T401 S404 V411D375-L400 HydrophobicContact CB-CD2 4.39Å; D375-L400 WeakPolarHBondContact O-CA 3.36Å; D375-L400 WeakPolarHBondContact O-CD2 3.41Å; D375-T401 PolarHBondContact O-N 2.85Å; D375-T401 PolarHBondContact O-OG1 3.14Å; D375-S404 WeakPolarHBondContact OD1-CB 3.48Å; D375-S404 PolarHBondContact OD1-OG 2.98Å; D375-V411 HydrophobicContact CB-CG2 3.85Å
376V89.8Confident92Very high16 Ų1654.5 Ų54.510%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-88.8119171.3-179.20000110.4L371 L373 E374 L398 V411L371-V376 HydrophobicContact CD2-CG1 4.46Å; L373-V376 HydrophobicContact CB-CB 4.47Å; L373-V376 HydrophobicContact CB-CG2 3.73Å; L373-V376 PolarHBondContact O-N 2.98Å; E374-V376 PolarHBondContact O-N 3.32Å; V376-L398 HydrophobicContact CG1-CD2 4.38Å; V376-V411 HydrophobicContact CG2-CG1 3.63Å
377Q89.4Confident91.6Very high92 Ų9255 Ų5543%0.4327%0.269SS..EExtended strand (participates in β ladder)trans-88-46.5177.2-176.5179.114.700111.9Q399 H435Q377-Q399 PolarHBondContact N-O 3.24Å; Q377-H435 PolarHBondContact OE1-CD2 3.49Å
378S90.1Very high91.2Very high29 Ų2951.4 Ų51.420%0.20325%0.254CS..EExtended strand (participates in β ladder)trans-150.4158178.363.70000111.9D380 Q399S378-D380 PolarHBondContact OG-OD1 3.42Å; S378-Q399 PolarHBondContact N-O 2.74Å; S378-Q399 PolarHBondContact O-N 3.4Å; S378-Q399 VanDerWaalsContact OG-CB 3.26Å; S378-Q399 WeakPolarHBondContact OG-CB 3.18Å; S378-Q399 PolarHBondContact OG-OE1 3.41Å; S378-Q399 VanDerWaalsContact OG-OE1 3.11Å
379V92.5Very high90.3Very high7 Ų747.7 Ų47.74%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-109104.3168.2-177.30000106.7K367 L370 L371 L382 V396 L398K367-V379 HydrophobicContact CG-CB 4.04Å; K367-V379 HydrophobicContact CG-CG1 4.3Å; K367-V379 HydrophobicContact CG-CG2 4.25Å; L370-V379 HydrophobicContact CB-CG2 3.91Å; L371-V379 HydrophobicContact CD2-CG2 3.93Å; L371-V379 HydrophobicContact CG-CG2 3.94Å; V379-L382 HydrophobicContact CG1-CB 4.24Å; V379-V396 HydrophobicContact CG1-CG1 4.26Å; V379-L398 HydrophobicContact CB-CD2 4.33Å; V379-L398 HydrophobicContact CG1-CD2 4.2Å; V379-L398 HydrophobicContact CG2-CD2 3.72Å
380D88.8Confident89.6Confident85 Ų8548.5 Ų48.546%0.45525%0.246SC..EExtended strand (participates in β ladder)trans-78.7-42.7-173-69-8.6000111S378 H397S378-D380 PolarHBondContact OG-OD1 3.42Å; D380-H397 PolarHBondContact N-O 3.46Å
381E91.8Very high89.2Confident90 Ų9050.5 Ų50.542%0.42125%0.254SS..EExtended strand (participates in β ladder)trans-138.9132.6-179.2-168.1172.1-171.100110.7N383 V396 H397E381-N383 PolarHBondContact OE1-ND2 3.28Å; E381-V396 WeakPolarHBondContact O-CA 3.48Å; E381-H397 HydrophobicContact CB-CB 3.97Å; E381-H397 PolarHBondContact O-N 3.06Å
382L93.6Very high89Confident31 Ų3147.2 Ų47.216%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-137.6100.8174.9172.861.7000108.2T363 I366 K367 V379 V384 V396T363-L382 WeakPolarHBondContact O-CD2 3.47Å; I366-L382 HydrophobicContact CB-CD2 4.1Å; I366-L382 HydrophobicContact CG2-CD1 4.16Å; I366-L382 HydrophobicContact CG2-CD2 3.85Å; K367-L382 HydrophobicContact CB-CD2 4.06Å; V379-L382 HydrophobicContact CG1-CB 4.24Å; L382-V384 HydrophobicContact CD1-CG2 3.72Å; L382-V384 HydrophobicContact CG-CG2 4.11Å; L382-V396 HydrophobicContact CD1-CG2 3.59Å
383N94.6Very high89Confident68 Ų6840.6 Ų40.636%0.36421%0.21SC..EExtended strand (participates in β ladder)trans-106.6122.7174.6-63.7-36.6000108.6E381 W385 A394 M395E381-N383 PolarHBondContact OE1-ND2 3.28Å; N383-W385 HydrophobicContact CB-CE3 4.38Å; N383-W385 HydrophobicContact CB-CZ3 4.24Å; N383-A394 CarbonylContact O-C 3.51Å; N383-A394 VanDerWaalsContact O-CA 3.26Å; N383-A394 WeakPolarHBondContact O-CA 3.42Å; N383-M395 HydrophobicContact CB-CB 4.44Å; N383-M395 PolarHBondContact N-O 2.9Å; N383-M395 PolarHBondContact O-N 3.3Å
384V94.1Very high89.2Confident8 Ų839.2 Ų39.25%0.04820%0.203CC..EExtended strand (participates in β ladder)trans-127.4126.6177.9-176.70000107.9V357 L361 I366 L382 A394 L425V357-V384 WeakPolarHBondContact CG2-O 3.42Å; L361-V384 HydrophobicContact CD1-CG1 3.68Å; I366-V384 HydrophobicContact CD1-CG2 4.5Å; L382-V384 HydrophobicContact CD1-CG2 3.72Å; L382-V384 HydrophobicContact CG-CG2 4.11Å; V384-A394 HydrophobicContact CG2-CB 4.04Å; V384-L425 HydrophobicContact CG1-CD2 4.18Å
385W94.2Very high89.5Confident47 Ų4736 Ų3618%0.17819%0.189CC..EExtended strand (participates in β ladder)trans-137.9153.6-179.266.698.2000111.9E355 N383 A393 M395E355-W385 HydrophobicContact CB-CB 4.03Å; E355-W385 WeakPolarHBondContact O-CB 3.42Å; N383-W385 HydrophobicContact CB-CE3 4.38Å; N383-W385 HydrophobicContact CB-CZ3 4.24Å; W385-A393 HydrophobicContact CD2-CB 4.12Å; W385-A393 HydrophobicContact CH2-CB 4.24Å; W385-A393 HydrophobicContact CZ2-CB 3.59Å; W385-A393 PolarHBondContact N-O 2.94Å; W385-A393 PolarHBondContact O-N 2.72Å; W385-M395 HydrophobicContact CH2-CB 4.1Å; W385-M395 HydrophobicContact CZ3-CB 3.86Å
386A90Very high89.9Confident3 Ų333.6 Ų33.63%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-88.4133.2171.700000110.6I352 G356 P358I352-A386 HydrophobicContact CG1-CB 4Å; I352-A386 HydrophobicContact CG2-CB 4.28Å; G356-A386 PolarHBondContact O-N 2.91Å; P358-A386 HydrophobicContact CB-CB 4.34Å
387L85.8Confident90.2Very high11 Ų1134.2 Ų34.26%0.05818%0.178CC..SBendtrans-93.3-38.8170.8-141.580.6000111F185 H188 R189 K391F185-L387 HydrophobicContact CB-CD2 4.13Å; F185-L387 HydrophobicContact CD1-CD2 4.49Å; H188-L387 HydrophobicContact CB-CD2 4.25Å; R189-L387 HydrophobicContact CG-CG 4.4Å; L387-K391 WeakPolarHBondContact CA-O 2.94Å; L387-K391 HydrophobicContact CB-CB 4.23Å; L387-K391 WeakPolarHBondContact CB-O 3.09Å; L387-K391 PolarHBondContact N-O 3.36Å
388T84.1Confident90.3Very high4 Ų429.8 Ų29.83%0.02516%0.157CC..SBendtrans-143.9-177.1166.765.70000108.1H188 V192 D390 K391H188-T388 HydrophobicContact CB-CG2 3.81Å; H188-T388 WeakPolarHBondContact O-CG2 3.28Å; V192-T388 HydrophobicContact CG2-CG2 4.46Å; T388-D390 PolarHBondContact O-N 2.92Å; T388-K391 PolarHBondContact N-O 3.37Å; T388-K391 VanDerWaalsContact N-O 3.14Å; T388-K391 PolarHBondContact O-N 3.13Å; T388-K391 WeakPolarHBondContact OG1-CB 3.39Å; T388-K391 PolarHBondContact OG1-N 3.28Å
389A77.2Confident90.4Very high27 Ų2730.1 Ų30.122%0.22316%0.155CC..SBendtrans-60.3-30.8176.800000113.6L291L291-A389 HydrophobicContact CB-CB 3.79Å; L291-A389 HydrophobicContact CD1-CB 4.36Å; L291-A389 HydrophobicContact CG-CB 4.49Å
390D78.1Confident90.3Very high61 Ų6129.8 Ų29.833%0.32615%0.153SC..SBendtrans-108.6-8.1-176.2-60.8-33.2000113.3T288 T388T288-D390 VanDerWaalsContact O-OD1 3.06Å; T288-D390 PolarHBondContact OG1-OD1 2.96Å; T388-D390 PolarHBondContact O-N 2.92Å
391K85.3Confident90.1Very high41 Ų4128 Ų2818%0.17815%0.145CC..  trans-116.6115.9-179.2-66.4-178.2177174.60110.7E114 H188 L387 T388 T426E114-K391 IonicContact OE1-NZ 3.83Å; H188-K391 PolarHBondContact CE1-NZ 3.48Å; H188-K391 PolarHBondContact ND1-NZ 3.02Å; H188-K391 PolarHBondContact NE2-NZ 3.05Å; L387-K391 WeakPolarHBondContact CA-O 2.94Å; L387-K391 HydrophobicContact CB-CB 4.23Å; L387-K391 WeakPolarHBondContact CB-O 3.09Å; L387-K391 PolarHBondContact N-O 3.36Å; T388-K391 PolarHBondContact N-O 3.37Å; T388-K391 VanDerWaalsContact N-O 3.14Å; T388-K391 PolarHBondContact O-N 3.13Å; T388-K391 WeakPolarHBondContact OG1-CB 3.39Å; T388-K391 PolarHBondContact OG1-N 3.28Å; K391-T426 WeakPolarHBondContact CA-OG1 3.22Å; K391-T426 HydrophobicContact CG-CG2 4.43Å
392T91.2Very high89.5Confident5 Ų527.5 Ų27.53%0.03115%0.15CC..EExtended strand (participates in β ladder)trans-119.3147.1-178.749.90000110.2P358 L361 L425 T426 R427P358-T392 HydrophobicContact CG-CG2 3.85Å; L361-T392 HydrophobicContact CD1-CG2 4.48Å; T392-L425 WeakPolarHBondContact OG1-CA 3.49Å; T392-L425 WeakPolarHBondContact OG1-CD2 3.31Å; T392-T426 PolarHBondContact N-OG1 2.85Å; T392-T426 WeakPolarHBondContact O-CB 3.38Å; T392-T426 PolarHBondContact O-N 3.19Å; T392-R427 PolarHBondContact O-N 3.06Å
393A92.5Very high88.5Confident7 Ų731.5 Ų31.56%0.05818%0.181CC..EExtended strand (participates in β ladder)trans-130.3148178.100000110.4W385 R427W385-A393 HydrophobicContact CD2-CB 4.12Å; W385-A393 HydrophobicContact CH2-CB 4.24Å; W385-A393 HydrophobicContact CZ2-CB 3.59Å; W385-A393 PolarHBondContact N-O 2.94Å; W385-A393 PolarHBondContact O-N 2.72Å; A393-R427 VanDerWaalsContact CA-O 3.26Å; A393-R427 WeakPolarHBondContact CA-O 3.39Å
394A95Very high87.3Confident2 Ų228.8 Ų28.82%0.01717%0.167CC..EExtended strand (participates in β ladder)trans-135.2145.6175.900000111.8N383 V384 L425 R427 C428 T429N383-A394 CarbonylContact O-C 3.51Å; N383-A394 VanDerWaalsContact O-CA 3.26Å; N383-A394 WeakPolarHBondContact O-CA 3.42Å; V384-A394 HydrophobicContact CG2-CB 4.04Å; A394-L425 HydrophobicContact CB-CD1 3.59Å; A394-L425 HydrophobicContact CB-CD2 4.45Å; A394-R427 PolarHBondContact N-O 3.41Å; A394-R427 VanDerWaalsContact N-O 3.07Å; A394-C428 HydrophobicContact CB-CB 4.32Å; A394-C428 CarbonylContact O-C 3.56Å; A394-C428 VanDerWaalsContact O-CA 3.24Å; A394-C428 WeakPolarHBondContact O-CA 3.42Å; A394-T429 PolarHBondContact O-N 3.5Å
395M95.2Very high86.1Confident71 Ų7130.1 Ų30.135%0.3518%0.179SC..EExtended strand (participates in β ladder)trans-122.3125.6167.9-179.2170.3177.400108N383 W385 T429N383-M395 HydrophobicContact CB-CB 4.44Å; N383-M395 PolarHBondContact N-O 2.9Å; N383-M395 PolarHBondContact O-N 3.3Å; W385-M395 HydrophobicContact CH2-CB 4.1Å; W385-M395 HydrophobicContact CZ3-CB 3.86Å; M395-T429 WeakPolarHBondContact CA-O 3.41Å
396V95.4Very high85.2Confident1 Ų135.1 Ų35.11%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-128.6133.2-175.8-171.10000109.1L370 V379 E381 L382 L398 L419 T429 V430 Q431L370-V396 HydrophobicContact CD1-CG1 3.82Å; L370-V396 HydrophobicContact CD1-CG2 4.5Å; V379-V396 HydrophobicContact CG1-CG1 4.26Å; E381-V396 WeakPolarHBondContact O-CA 3.48Å; L382-V396 HydrophobicContact CD1-CG2 3.59Å; V396-L398 HydrophobicContact CG1-CD2 3.57Å; V396-L398 HydrophobicContact CG1-CG 3.89Å; V396-L419 HydrophobicContact CG2-CD1 3.7Å; V396-T429 PolarHBondContact N-O 3.34Å; V396-V430 WeakPolarHBondContact O-CA 3.37Å; V396-Q431 PolarHBondContact O-N 3.02Å
397H94.5Very high84.9Confident28 Ų2838.7 Ų38.713%0.1323%0.228CC..EExtended strand (participates in β ladder)trans-113.1115.9169.8-168.2-171.9000109.8D380 E381 Q431 Q433D380-H397 PolarHBondContact N-O 3.46Å; E381-H397 HydrophobicContact CB-CB 3.97Å; E381-H397 PolarHBondContact O-N 3.06Å; H397-Q431 WeakPolarHBondContact CA-O 3.31Å; H397-Q433 PolarHBondContact CE1-OE1 3.01Å; H397-Q433 VanDerWaalsContact CE1-OE1 3.27Å; H397-Q433 WeakPolarHBondContact NE2-CB 3.32Å; H397-Q433 PolarHBondContact NE2-OE1 3.48Å
398L93.1Very high84.9Confident0 Ų043.4 Ų43.40%025%0.245CC..EExtended strand (participates in β ladder)trans-108.6135.5-179-58.9-179.7000110.7L370 V376 V379 V396 V411 A415 V430 Q431 V432 Q433L370-L398 HydrophobicContact CB-CD2 4.49Å; V376-L398 HydrophobicContact CG1-CD2 4.38Å; V379-L398 HydrophobicContact CB-CD2 4.33Å; V379-L398 HydrophobicContact CG1-CD2 4.2Å; V379-L398 HydrophobicContact CG2-CD2 3.72Å; V396-L398 HydrophobicContact CG1-CD2 3.57Å; V396-L398 HydrophobicContact CG1-CG 3.89Å; L398-V411 HydrophobicContact CD1-CG1 4.5Å; L398-A415 HydrophobicContact CD1-CB 3.78Å; L398-V430 HydrophobicContact CD1-CG1 3.65Å; L398-V430 HydrophobicContact CG-CG1 4.12Å; L398-Q431 PolarHBondContact N-O 3.11Å; L398-V432 WeakPolarHBondContact O-CA 3.49Å; L398-Q433 PolarHBondContact O-N 3.13Å
399Q91.1Very high85.2Confident35 Ų3549.1 Ų49.116%0.16427%0.271CS..EExtended strand (participates in β ladder)trans-99.4126.1170.2-168.1165.858.400110.1Q377 S378 Q433 H435Q377-Q399 PolarHBondContact N-O 3.24Å; S378-Q399 PolarHBondContact N-O 2.74Å; S378-Q399 PolarHBondContact O-N 3.4Å; S378-Q399 VanDerWaalsContact OG-CB 3.26Å; S378-Q399 WeakPolarHBondContact OG-CB 3.18Å; S378-Q399 PolarHBondContact OG-OE1 3.41Å; S378-Q399 VanDerWaalsContact OG-OE1 3.11Å; Q399-Q433 WeakPolarHBondContact CA-O 3.41Å; Q399-H435 HydrophobicContact CG-CB 3.98Å; Q399-H435 PolarHBondContact NE2-CD2 2.95Å
400L90.4Very high85.9Confident1 Ų152.5 Ų52.51%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-89.1149.2177.3-66.6166.5000112D375 W408 V411 V432 Q433 H435D375-L400 HydrophobicContact CB-CD2 4.39Å; D375-L400 WeakPolarHBondContact O-CA 3.36Å; D375-L400 WeakPolarHBondContact O-CD2 3.41Å; L400-W408 HydrophobicContact CD1-CB 3.5Å; L400-V411 HydrophobicContact CD2-CB 3.92Å; L400-V411 HydrophobicContact CD2-CG1 3.8Å; L400-V411 HydrophobicContact CD2-CG2 3.77Å; L400-V432 HydrophobicContact CD1-CG1 3.26Å; L400-V432 HydrophobicContact CD2-CG1 3.88Å; L400-V432 HydrophobicContact CG-CG1 3.35Å; L400-Q433 PolarHBondContact N-O 2.98Å; L400-H435 WeakPolarHBondContact O-CB 3.32Å; L400-H435 PolarHBondContact O-N 2.98Å
401T85.9Confident86.5Confident47 Ų4749.6 Ų49.629%0.28827%0.27SS..PPolyproline II helixtrans-58.7140.3167.6-48.60000110.7D375 S403 S404D375-T401 PolarHBondContact O-N 2.85Å; D375-T401 PolarHBondContact O-OG1 3.14Å; T401-S403 PolarHBondContact O-N 3.49Å; T401-S403 VanDerWaalsContact O-N 3.08Å; T401-S404 PolarHBondContact O-N 3.34Å
402P77.9Confident86.9Confident79 Ų7950.8 Ų50.851%0.51328%0.277SS..G310 helixtrans-56-29.4-177.3-26.132.7000114.9S404 H435P402-S404 VanDerWaalsContact C-N 3.27Å; P402-S404 PolarHBondContact O-N 3.39Å; P402-H435 HydrophobicContact CG-CB 4.35Å
403S72.4Confident86.9Confident116 Ų11653.4 Ų53.481%0.81130%0.298SS*.G310 helixtrans-75.1-12.6-179.5-57.80000114.2T401T401-S403 PolarHBondContact O-N 3.49Å; T401-S403 VanDerWaalsContact O-N 3.08Å
404S70.3Confident86.9Confident10 Ų1057.5 Ų57.57%0.0732%0.315CS..G310 helixtrans-11621.3-166.8-45.90000112.7D375 T401 P402 N406 N407D375-S404 WeakPolarHBondContact OD1-CB 3.48Å; D375-S404 PolarHBondContact OD1-OG 2.98Å; T401-S404 PolarHBondContact O-N 3.34Å; P402-S404 VanDerWaalsContact C-N 3.27Å; P402-S404 PolarHBondContact O-N 3.39Å; S404-N406 PolarHBondContact O-N 3.04Å; S404-N406 VanDerWaalsContact O-N 3.08Å; S404-N407 PolarHBondContact O-N 2.93Å
405A68.1Low86.9Confident37 Ų3757.4 Ų57.431%0.30631%0.314SS..THydrogen-bonded Turntrans-56.9-25-178.700000114T434A405-T434 HydrophobicContact CB-CG2 3.61Å
406N75.4Confident86.8Confident152 Ų15261 Ų6181%0.81332%0.324SS*.THydrogen-bonded Turntrans-88-14.5-179.5-69.8-6.5000113.9S404S404-N406 PolarHBondContact O-N 3.04Å; S404-N406 VanDerWaalsContact O-N 3.08Å
407N83.6Confident86.7Confident77 Ų7766.3 Ų66.341%0.41235%0.348SS..  trans-105.719.6-175.1-62.9-8000112.8S404 E409 D410 V411S404-N407 PolarHBondContact O-N 2.93Å; N407-E409 VanDerWaalsContact C-N 3.25Å; N407-E409 PolarHBondContact O-N 3.38Å; N407-D410 PolarHBondContact O-N 3.34Å; N407-V411 PolarHBondContact O-N 2.93Å
408W86.8Confident86.6Confident110 Ų11066.3 Ų66.342%0.41735%0.349SS..Hα-helixtrans-62.2-31.7-175.367.3-88.7000113L400 V411 Q412 V432L400-W408 HydrophobicContact CD1-CB 3.5Å; W408-V411 PolarHBondContact O-N 2.89Å; W408-Q412 VanDerWaalsContact O-CB 3.29Å; W408-Q412 WeakPolarHBondContact O-CB 3.35Å; W408-Q412 PolarHBondContact O-N 2.96Å; W408-V432 HydrophobicContact CB-CG1 4.21Å
409E90.4Very high86.6Confident124 Ų12466.3 Ų66.358%0.57935%0.349SS*.Hα-helixtrans-63.7-44.3177-65.4-174.5177.200111.4N407 Q412 A413N407-E409 VanDerWaalsContact C-N 3.25Å; N407-E409 PolarHBondContact O-N 3.38Å; E409-Q412 PolarHBondContact O-N 3.5Å; E409-A413 VanDerWaalsContact O-CB 3.31Å; E409-A413 WeakPolarHBondContact O-CB 3.35Å; E409-A413 PolarHBondContact O-N 3.33Å
410D90.3Very high86.6Confident98 Ų9866.6 Ų66.652%0.52435%0.351SS..Hα-helixtrans-65.6-43178.5-72.8-23.5000111.3N407 A413 K414N407-D410 PolarHBondContact O-N 3.34Å; D410-A413 PolarHBondContact O-N 2.95Å; D410-K414 WeakPolarHBondContact O-CB 3.33Å; D410-K414 VanDerWaalsContact O-CG 3.26Å; D410-K414 WeakPolarHBondContact O-CG 3.42Å; D410-K414 PolarHBondContact O-N 3.41Å
411V91.1Very high86.5Confident1 Ų172.3 Ų72.31%0.00638%0.378CS..Hα-helixtrans-63.7-43.6176.1178.50000110.6D375 V376 L398 L400 N407 W408 A413 K414 A415D375-V411 HydrophobicContact CB-CG2 3.85Å; V376-V411 HydrophobicContact CG2-CG1 3.63Å; L398-V411 HydrophobicContact CD1-CG1 4.5Å; L400-V411 HydrophobicContact CD2-CB 3.92Å; L400-V411 HydrophobicContact CD2-CG1 3.8Å; L400-V411 HydrophobicContact CD2-CG2 3.77Å; N407-V411 PolarHBondContact O-N 2.93Å; W408-V411 PolarHBondContact O-N 2.89Å; V411-A413 PolarHBondContact O-N 2.83Å; V411-K414 PolarHBondContact O-N 3.43Å; V411-A415 VanDerWaalsContact O-CB 3.29Å; V411-A415 WeakPolarHBondContact O-CB 3.21Å; V411-A415 PolarHBondContact O-N 3.17Å
412Q93.4Very high86.6Confident66 Ų6674 Ų7431%0.30839%0.389SS..Hα-helixtrans-62.2-43.4176.9-165.6-173.815.200111.5W408 E409 R416 V430 V432W408-Q412 VanDerWaalsContact O-CB 3.29Å; W408-Q412 WeakPolarHBondContact O-CB 3.35Å; W408-Q412 PolarHBondContact O-N 2.96Å; E409-Q412 PolarHBondContact O-N 3.5Å; Q412-R416 WeakPolarHBondContact O-CB 3.44Å; Q412-R416 PolarHBondContact O-N 3.42Å; Q412-V430 HydrophobicContact CG-CB 3.96Å; Q412-V430 HydrophobicContact CG-CG1 4.09Å; Q412-V430 PolarHBondContact NE2-O 2.95Å; Q412-V432 HydrophobicContact CB-CG2 3.91Å; Q412-V432 HydrophobicContact CG-CG2 4.03Å
413A92.1Very high87.1Confident59 Ų5971.7 Ų71.749%0.48837%0.37SS..Hα-helixtrans-65.1-45.417800000111.7E409 D410 V411 R416 H417E409-A413 VanDerWaalsContact O-CB 3.31Å; E409-A413 WeakPolarHBondContact O-CB 3.35Å; E409-A413 PolarHBondContact O-N 3.33Å; D410-A413 PolarHBondContact O-N 2.95Å; V411-A413 PolarHBondContact O-N 2.83Å; A413-R416 PolarHBondContact O-N 2.97Å; A413-H417 VanDerWaalsContact O-CB 3.3Å; A413-H417 WeakPolarHBondContact O-CB 3.28Å; A413-H417 PolarHBondContact O-N 3.42Å
414K92.9Very high87.7Confident94 Ų9468.1 Ų68.141%0.40935%0.351SS..Hα-helixtrans-61-46.8175.5-73.8174.2-177.3177.70111.6L373 E374 D410 V411 H417 L418L373-K414 HydrophobicContact CD2-CB 4.11Å; E374-K414 IonicContact OE2-NZ 3.93Å; D410-K414 WeakPolarHBondContact O-CB 3.33Å; D410-K414 VanDerWaalsContact O-CG 3.26Å; D410-K414 WeakPolarHBondContact O-CG 3.42Å; D410-K414 PolarHBondContact O-N 3.41Å; V411-K414 PolarHBondContact O-N 3.43Å; K414-H417 PolarHBondContact O-N 3.43Å; K414-L418 WeakPolarHBondContact O-CB 3.41Å; K414-L418 PolarHBondContact O-N 2.82Å
415A93.9Very high88.6Confident0 Ų067.9 Ų67.90%035%0.349CS..Hα-helixtrans-62.7-45177.400000111.8L370 L373 L398 V411 H417 L418 L419 V430L370-A415 HydrophobicContact CD2-CB 3.9Å; L373-A415 HydrophobicContact CD1-CB 3.77Å; L398-A415 HydrophobicContact CD1-CB 3.78Å; V411-A415 VanDerWaalsContact O-CB 3.29Å; V411-A415 WeakPolarHBondContact O-CB 3.21Å; V411-A415 PolarHBondContact O-N 3.17Å; A415-H417 PolarHBondContact O-N 2.93Å; A415-L418 PolarHBondContact O-N 3.44Å; A415-L419 WeakPolarHBondContact O-CB 3.48Å; A415-L419 VanDerWaalsContact O-CG 3.26Å; A415-L419 WeakPolarHBondContact O-CG 3.38Å; A415-L419 PolarHBondContact O-N 3.48Å; A415-V430 HydrophobicContact CB-CG1 4.15Å; A415-V430 HydrophobicContact CB-CG2 4.37Å
416R94.3Very high89.6Confident145 Ų14569.4 Ų69.455%0.54736%0.355SS..Hα-helixtrans-61.4-43.6175.2173.7167.5173.2156.9-2.3111.7Q412 A413 L419 L420 V430Q412-R416 WeakPolarHBondContact O-CB 3.44Å; Q412-R416 PolarHBondContact O-N 3.42Å; A413-R416 PolarHBondContact O-N 2.97Å; R416-L419 PolarHBondContact O-N 3.4Å; R416-L420 HydrophobicContact CG-CD1 3.62Å; R416-L420 HydrophobicContact CG-CG 4.23Å; R416-L420 WeakPolarHBondContact O-CB 3.36Å; R416-L420 VanDerWaalsContact O-CG 3.29Å; R416-L420 WeakPolarHBondContact O-CG 3.34Å; R416-L420 PolarHBondContact O-N 3.47Å; R416-V430 HydrophobicContact CB-CG2 4.5Å
417H92.9Very high90.2Very high113 Ų11367.9 Ų67.952%0.52334%0.338SS..Hα-helixtrans-62-44.7177.9-177.1-83.2000111.4A413 K414 A415 L419 L420 H421A413-H417 VanDerWaalsContact O-CB 3.3Å; A413-H417 WeakPolarHBondContact O-CB 3.28Å; A413-H417 PolarHBondContact O-N 3.42Å; K414-H417 PolarHBondContact O-N 3.43Å; A415-H417 PolarHBondContact O-N 2.93Å; H417-L419 PolarHBondContact O-N 3.23Å; H417-L420 PolarHBondContact O-N 3.03Å; H417-H421 AromaticContact CD2-CD2 3.3Å; H417-H421 PolarHBondContact CD2-CD2 3.46Å; H417-H421 AromaticContact CD2-NE2 3.82Å; H417-H421 AromaticContact CE1-CD2 3.98Å; H417-H421 AromaticContact CG-CD2 3.76Å; H417-H421 AromaticContact NE2-CD2 3.46Å; H417-H421 PolarHBondContact NE2-CD2 3.39Å; H417-H421 AromaticContact NE2-CG 3.92Å; H417-H421 WeakPolarHBondContact O-CB 3.4Å; H417-H421 PolarHBondContact O-CD2 2.75Å; H417-H421 PolarHBondContact O-N 3.07Å
418L92.8Very high90.7Very high28 Ų2865 Ų6515%0.14732%0.323CS..Iπ-helixtrans-57.4-48.9174.9-179.273.4000111.6D369 L370 K414 A415 T422 Y423D369-L418 HydrophobicContact CB-CD2 3.96Å; L370-L418 HydrophobicContact CD2-CD2 4.04Å; L370-L418 HydrophobicContact CG-CD2 4.33Å; K414-L418 WeakPolarHBondContact O-CB 3.41Å; K414-L418 PolarHBondContact O-N 2.82Å; A415-L418 PolarHBondContact O-N 3.44Å; L418-T422 HydrophobicContact CD1-CG2 4.32Å; L418-T422 WeakPolarHBondContact O-CA 3.45Å; L418-T422 WeakPolarHBondContact O-CB 3.46Å; L418-T422 PolarHBondContact O-N 2.98Å; L418-T422 PolarHBondContact O-OG1 3.43Å; L418-Y423 HydrophobicContact CD1-CE2 4.43Å; L418-Y423 HydrophobicContact CG-CD2 4.35Å; L418-Y423 HydrophobicContact CG-CE2 4.22Å; L418-Y423 PolarHBondContact O-N 3.01Å
419L92.8Very high91.1Very high0 Ų064.1 Ų64.10%033%0.33CS..Iπ-helixtrans-65.1-43.3-178.1-72.4173.1000112.6I366 V396 A415 R416 H417 G424 L425 C428 V430I366-L419 HydrophobicContact CG2-CD2 3.71Å; V396-L419 HydrophobicContact CG2-CD1 3.7Å; A415-L419 WeakPolarHBondContact O-CB 3.48Å; A415-L419 VanDerWaalsContact O-CG 3.26Å; A415-L419 WeakPolarHBondContact O-CG 3.38Å; A415-L419 PolarHBondContact O-N 3.48Å; R416-L419 PolarHBondContact O-N 3.4Å; H417-L419 PolarHBondContact O-N 3.23Å; L419-G424 PolarHBondContact O-N 3.21Å; L419-L425 HydrophobicContact CB-CD1 3.7Å; L419-L425 HydrophobicContact CD2-CD1 3.63Å; L419-L425 HydrophobicContact CG-CD1 4.17Å; L419-L425 VanDerWaalsContact O-CB 3.31Å; L419-L425 WeakPolarHBondContact O-CB 3.32Å; L419-L425 WeakPolarHBondContact O-CG 3.28Å; L419-L425 PolarHBondContact O-N 2.99Å; L419-L425 VanDerWaalsContact O-N 3.1Å; L419-C428 HydrophobicContact CB-CB 4.32Å; L419-C428 HydrophobicContact CD1-CB 4.07Å; L419-V430 HydrophobicContact CD1-CG2 3.93Å
420L90.6Very high91.3Very high41 Ų4158.6 Ų58.622%0.21531%0.305CS..Iπ-helixtrans-77.7-44.1-177.8-64.4176.2000112.7R416 H417 G424 L425R416-L420 HydrophobicContact CG-CD1 3.62Å; R416-L420 HydrophobicContact CG-CG 4.23Å; R416-L420 WeakPolarHBondContact O-CB 3.36Å; R416-L420 VanDerWaalsContact O-CG 3.29Å; R416-L420 WeakPolarHBondContact O-CG 3.34Å; R416-L420 PolarHBondContact O-N 3.47Å; H417-L420 PolarHBondContact O-N 3.03Å; L420-G424 VanDerWaalsContact O-CA 3.28Å; L420-G424 WeakPolarHBondContact O-CA 3.31Å; L420-G424 PolarHBondContact O-N 3.26Å; L420-L425 HydrophobicContact CD2-CB 4.46Å; L420-L425 WeakPolarHBondContact CD2-O 3.29Å
421H88.2Confident91.5Very high121 Ų12158.5 Ų58.556%0.5630%0.301SS*.Iπ-helixtrans-93.2-37.7-171.7-67.8-78.4000113.9H417H417-H421 AromaticContact CD2-CD2 3.3Å; H417-H421 PolarHBondContact CD2-CD2 3.46Å; H417-H421 AromaticContact CD2-NE2 3.82Å; H417-H421 AromaticContact CE1-CD2 3.98Å; H417-H421 AromaticContact CG-CD2 3.76Å; H417-H421 AromaticContact NE2-CD2 3.46Å; H417-H421 PolarHBondContact NE2-CD2 3.39Å; H417-H421 AromaticContact NE2-CG 3.92Å; H417-H421 WeakPolarHBondContact O-CB 3.4Å; H417-H421 PolarHBondContact O-CD2 2.75Å; H417-H421 PolarHBondContact O-N 3.07Å
422T88.6Confident91.5Very high84 Ų8460 Ų6052%0.51531%0.31SS..Iπ-helixtrans-84.8-45.4-178.5-51.10000111.3L418L418-T422 HydrophobicContact CD1-CG2 4.32Å; L418-T422 WeakPolarHBondContact O-CA 3.45Å; L418-T422 WeakPolarHBondContact O-CB 3.46Å; L418-T422 PolarHBondContact O-N 2.98Å; L418-T422 PolarHBondContact O-OG1 3.43Å
423Y87.9Confident91.3Very high29 Ų2960.8 Ų60.811%0.11431%0.314CS..SBendtrans-94.1-6.4-178.2-71.1-76.4000113.8L361 R365 I366 D369 L418 L425L361-Y423 HydrophobicContact CD2-CD1 4.17Å; R365-Y423 PolarHBondContact O-OH 3.3Å; I366-Y423 HydrophobicContact CB-CE1 4.49Å; I366-Y423 HydrophobicContact CB-CE2 4.44Å; I366-Y423 HydrophobicContact CD1-CD1 4.05Å; I366-Y423 HydrophobicContact CD1-CE1 4.26Å; I366-Y423 HydrophobicContact CD1-CG 4.36Å; I366-Y423 HydrophobicContact CG1-CD1 3.57Å; I366-Y423 HydrophobicContact CG1-CD2 4.08Å; I366-Y423 HydrophobicContact CG1-CE1 3.36Å; I366-Y423 HydrophobicContact CG1-CE2 3.91Å; I366-Y423 HydrophobicContact CG1-CG 3.92Å; I366-Y423 PolarHBondContact N-OH 3.27Å; D369-Y423 HydrophobicContact CB-CE2 4.49Å; D369-Y423 PolarHBondContact OD2-OH 3.33Å; L418-Y423 HydrophobicContact CD1-CE2 4.43Å; L418-Y423 HydrophobicContact CG-CD2 4.35Å; L418-Y423 HydrophobicContact CG-CE2 4.22Å; L418-Y423 PolarHBondContact O-N 3.01Å; Y423-L425 VanDerWaalsContact C-N 3.29Å; Y423-L425 PolarHBondContact O-N 2.9Å
424G85.8Confident90.8Very high41 Ų4160.8 Ų60.842%0.42331%0.308SS..  trans69.722.7174.700000114.3L419 L420L419-G424 PolarHBondContact O-N 3.21Å; L420-G424 VanDerWaalsContact O-CA 3.28Å; L420-G424 WeakPolarHBondContact O-CA 3.31Å; L420-G424 PolarHBondContact O-N 3.26Å
425L89.4Confident89.6Confident6 Ų659.1 Ų59.13%0.03130%0.302CS..  trans-64.9139.6178.7-65.4168.3000110.4L361 V384 T392 A394 L419 L420 Y423L361-L425 HydrophobicContact CD1-CD2 3.74Å; V384-L425 HydrophobicContact CG1-CD2 4.18Å; T392-L425 WeakPolarHBondContact OG1-CA 3.49Å; T392-L425 WeakPolarHBondContact OG1-CD2 3.31Å; A394-L425 HydrophobicContact CB-CD1 3.59Å; A394-L425 HydrophobicContact CB-CD2 4.45Å; L419-L425 HydrophobicContact CB-CD1 3.7Å; L419-L425 HydrophobicContact CD2-CD1 3.63Å; L419-L425 HydrophobicContact CG-CD1 4.17Å; L419-L425 VanDerWaalsContact O-CB 3.31Å; L419-L425 WeakPolarHBondContact O-CB 3.32Å; L419-L425 WeakPolarHBondContact O-CG 3.28Å; L419-L425 PolarHBondContact O-N 2.99Å; L419-L425 VanDerWaalsContact O-N 3.1Å; L420-L425 HydrophobicContact CD2-CB 4.46Å; L420-L425 WeakPolarHBondContact CD2-O 3.29Å; Y423-L425 VanDerWaalsContact C-N 3.29Å; Y423-L425 PolarHBondContact O-N 2.9Å
426T87.9Confident87.8Confident68 Ų6869.4 Ų69.442%0.41734%0.341SS..SBendtrans-78.1-37.1179.5-51.50000111.6K391 T392K391-T426 WeakPolarHBondContact CA-OG1 3.22Å; K391-T426 HydrophobicContact CG-CG2 4.43Å; T392-T426 PolarHBondContact N-OG1 2.85Å; T392-T426 WeakPolarHBondContact O-CB 3.38Å; T392-T426 PolarHBondContact O-N 3.19Å
427R89.4Confident85.7Confident120 Ų12070.3 Ų70.345%0.45335%0.351SS..EExtended strand (participates in β ladder)trans-143142.5177.9-69-174.9175.5147.3-0.3109.5T392 A393 A394T392-R427 PolarHBondContact O-N 3.06Å; A393-R427 VanDerWaalsContact CA-O 3.26Å; A393-R427 WeakPolarHBondContact CA-O 3.39Å; A394-R427 PolarHBondContact N-O 3.41Å; A394-R427 VanDerWaalsContact N-O 3.07Å
428C93.9Very high83.5Confident16 Ų1675.9 Ų75.911%0.10837%0.367CS..EExtended strand (participates in β ladder)trans-142.3144.7170.463.30000110.9A394 L419A394-C428 HydrophobicContact CB-CB 4.32Å; A394-C428 CarbonylContact O-C 3.56Å; A394-C428 VanDerWaalsContact O-CA 3.24Å; A394-C428 WeakPolarHBondContact O-CA 3.42Å; L419-C428 HydrophobicContact CB-CB 4.32Å; L419-C428 HydrophobicContact CD1-CB 4.07Å
429T94.7Very high81.3Confident93 Ų9380 Ų8057%0.57139%0.394SS*.EExtended strand (participates in β ladder)trans-113.1120.2168-57.50000107.5A394 M395 V396A394-T429 PolarHBondContact O-N 3.5Å; M395-T429 WeakPolarHBondContact CA-O 3.41Å; V396-T429 PolarHBondContact N-O 3.34Å
430V95Very high79.2Confident7 Ų786.1 Ų86.14%0.04243%0.431CS..EExtended strand (participates in β ladder)trans-110110176-177.10000107V396 L398 Q412 A415 R416 L419 V432V396-V430 WeakPolarHBondContact O-CA 3.37Å; L398-V430 HydrophobicContact CD1-CG1 3.65Å; L398-V430 HydrophobicContact CG-CG1 4.12Å; Q412-V430 HydrophobicContact CG-CB 3.96Å; Q412-V430 HydrophobicContact CG-CG1 4.09Å; Q412-V430 PolarHBondContact NE2-O 2.95Å; A415-V430 HydrophobicContact CB-CG1 4.15Å; A415-V430 HydrophobicContact CB-CG2 4.37Å; R416-V430 HydrophobicContact CB-CG2 4.5Å; L419-V430 HydrophobicContact CD1-CG2 3.93Å; V430-V432 HydrophobicContact CG1-CG2 3.97Å
431Q94.1Very high77.1Confident96 Ų9695.3 Ų95.345%0.44946%0.463SS..EExtended strand (participates in β ladder)trans-91.1132.6169.7-179.5172.8-20.100108.2V396 H397 L398V396-Q431 PolarHBondContact O-N 3.02Å; H397-Q431 WeakPolarHBondContact CA-O 3.31Å; L398-Q431 PolarHBondContact N-O 3.11Å
432V91.5Very high75.2Confident33 Ų3393.7 Ų93.720%0.247%0.465CS..EExtended strand (participates in β ladder)trans-121.3129.7-178.6-170.60000108.2L398 L400 W408 Q412 V430L398-V432 WeakPolarHBondContact O-CA 3.49Å; L400-V432 HydrophobicContact CD1-CG1 3.26Å; L400-V432 HydrophobicContact CD2-CG1 3.88Å; L400-V432 HydrophobicContact CG-CG1 3.35Å; W408-V432 HydrophobicContact CB-CG1 4.21Å; Q412-V432 HydrophobicContact CB-CG2 3.91Å; Q412-V432 HydrophobicContact CG-CG2 4.03Å; V430-V432 HydrophobicContact CG1-CG2 3.97Å
433Q88.2Confident73.5Confident82 Ų8292.5 Ų92.538%0.38346%0.459SS..EExtended strand (participates in β ladder)trans-126.1128.4178.3-176.7170-3.200109.6H397 L398 Q399 L400H397-Q433 PolarHBondContact CE1-OE1 3.01Å; H397-Q433 VanDerWaalsContact CE1-OE1 3.27Å; H397-Q433 WeakPolarHBondContact NE2-CB 3.32Å; H397-Q433 PolarHBondContact NE2-OE1 3.48Å; L398-Q433 PolarHBondContact O-N 3.13Å; Q399-Q433 WeakPolarHBondContact CA-O 3.41Å; L400-Q433 PolarHBondContact N-O 2.98Å
434T81.9Confident72Confident60 Ų6095.4 Ų95.437%0.36849%0.49SS..EExtended strand (participates in β ladder)trans-68.3134.3168.5-25.90000108.5A405 R436A405-T434 HydrophobicContact CB-CG2 3.61Å; T434-R436 VanDerWaalsContact C-N 3.32Å; T434-R436 PolarHBondContact O-N 2.68Å
435H67.8Low70.6Confident59 Ų59102.1 Ų102.127%0.27351%0.51SS..  trans-54.595.6176179-76.1000110.5Q377 Q399 L400 P402 Q437Q377-H435 PolarHBondContact OE1-CD2 3.49Å; Q399-H435 HydrophobicContact CG-CB 3.98Å; Q399-H435 PolarHBondContact NE2-CD2 2.95Å; L400-H435 WeakPolarHBondContact O-CB 3.32Å; L400-H435 PolarHBondContact O-N 2.98Å; P402-H435 HydrophobicContact CG-CB 4.35Å; H435-Q437 PolarHBondContact O-N 3.5Å
436R55.8Low68.8Low216 Ų216106.5 Ų106.582%0.81554%0.54SS*.  trans-89.5104.7169.8-153177.1-168.51724.5104.3T434 R438T434-R436 VanDerWaalsContact C-N 3.32Å; T434-R436 PolarHBondContact O-N 2.68Å; R436-R438 PolarHBondContact O-N 2.83Å
437Q51.4Low66.8Low163 Ų163110.7 Ų110.776%0.76256%0.555SS**  trans-58.290.7172.7-153.916820.400106.4H435 T439H435-Q437 PolarHBondContact O-N 3.5Å; Q437-T439 VanDerWaalsContact C-N 3.25Å; Q437-T439 PolarHBondContact O-N 2.94Å
438R46.8Very low64.6Low230 Ų230113.6 Ų113.687%0.86857%0.574SS**  trans-65.8103.2170.4-160.8177.9-169179.32.7101.6R436 V440R436-R438 PolarHBondContact O-N 2.83Å; R438-V440 VanDerWaalsContact C-N 3.27Å; R438-V440 PolarHBondContact O-N 3.46Å
439T44.8Very low62.1Low115 Ų115118.2 Ų118.271%0.70660%0.603SS**  trans-46.7107164.726.90000104.8Q437 R441Q437-T439 VanDerWaalsContact C-N 3.25Å; Q437-T439 PolarHBondContact O-N 2.94Å; T439-R441 PolarHBondContact O-N 3.23Å
440V50.3Low59.6Low128 Ų128119.5 Ų119.578%0.77662%0.617SS**  trans-57.5100.8166.5177.90000102R438 S442R438-V440 VanDerWaalsContact C-N 3.27Å; R438-V440 PolarHBondContact O-N 3.46Å; V440-S442 PolarHBondContact O-N 2.67Å
441R46.6Very low56.8Low234 Ų234129 Ų12988%0.88367%0.674SS**  trans-67.489.1164.2-76-172.2174.7179.9-1.6102.8T439 C443T439-R441 PolarHBondContact O-N 3.23Å; R441-C443 VanDerWaalsContact C-N 3.3Å; R441-C443 PolarHBondContact O-N 3.04Å
442S48.4Very low55Low87 Ų87130.7 Ų130.761%0.60869%0.686SS**  trans-55.7106.5165.246.20000104.7V440 A444V440-S442 PolarHBondContact O-N 2.67Å; S442-A444 PolarHBondContact O-N 3.09Å; S442-A444 VanDerWaalsContact O-N 3.13Å
443C51.8Low53.1Low59 Ų59135.8 Ų135.840%0.39971%0.711SS.*  trans-60.7118.9165.6-174.70000105.3R441 Q445 C446R441-C443 VanDerWaalsContact C-N 3.3Å; R441-C443 PolarHBondContact O-N 3.04Å; C443-Q445 PolarHBondContact O-N 3.46Å; C443-C446 HydrophobicContact CB-CB 4.18Å; C443-C446 PolarHBondContact O-N 3.08Å
444A57.2Low51.1Low91 Ų91138.8 Ų138.875%0.75273%0.729SS**THydrogen-bonded Turntrans-58.3-15.1178.300000112.3S442S442-A444 PolarHBondContact O-N 3.09Å; S442-A444 VanDerWaalsContact O-N 3.13Å
445Q55.4Low49.3Very low181 Ų181143.5 Ų143.585%0.84675%0.751SS**THydrogen-bonded Turntrans-88.2-5.4175-75.8155.7-37.800114.8C443C443-Q445 PolarHBondContact O-N 3.46Å
446C51.6Low48.1Very low99 Ų99148.8 Ų148.867%0.66978%0.78SS**  trans-111.55.4-178-59.20000114C443 Q448C443-C446 HydrophobicContact CB-CB 4.18Å; C443-C446 PolarHBondContact O-N 3.08Å; C446-Q448 PolarHBondContact O-N 3.3Å
447Q45.8Very low47.6Very low155 Ų155144.3 Ų144.372%0.72478%0.778SS**SBendtrans-70.6110165.3-87.3177.2-21.600108.1
448Q43.6Very low47.4Very low181 Ų181142.9 Ų142.985%0.84678%0.779SS**PPolyproline II helixtrans-56.4135.1172.1-73.8-177.2-15.700109.2C446 S450C446-Q448 PolarHBondContact O-N 3.3Å; Q448-S450 PolarHBondContact O-N 3.46Å
449P40.8Very low47.4Very low113 Ų113136.2 Ų136.273%0.73477%0.773SS**PPolyproline II helixtrans-63.8125.4173.426.3-30.7000108.5V451P449-V451 PolarHBondContact O-N 3.27Å
450S42.3Very low47.6Very low121 Ų121138 Ų13885%0.84678%0.778SS**PPolyproline II helixtrans-59117.4168.649.80000109.2Q448Q448-S450 PolarHBondContact O-N 3.46Å
451V37.7Very low47.4Very low207 Ų207138.9 Ų138.9100%1.25578%0.778SS**  trans-119.90162-178.10000107.9P449P449-V451 PolarHBondContact O-N 3.27Å

Retrieved 451 of 451 residues in 176.2 ms (Link to these results)