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Septin-4

Filament-forming cytoskeletal GTPase. Pro-apoptotic protein involved in LGR5-positive intestinal stem cell and Paneth cell expansion in the intestines, via its interaction with XIAP (By similarity). May also play a role in the regulation of cell fate in the intestine (By similarity). Positive regulator of apoptosis involved in hematopoietic stem cell homeostasis; via its interaction with XIAP (By similarity). Negative regulator of repair and hair follicle regeneration in response to injury, due to inhibition of hair follicle stem cell proliferation, potentially via its interaction with XIAP (By similarity). Plays an important role in male fertility and sperm motility (By similarity). During spermiogenesis, essential for the establishment of the annulus (a fibrous ring structure connecting the midpiece and the principal piece of the sperm flagellum) which is a requisite for the structural and mechanical integrity of the sperm (By similarity). Involved in the migration of cortical neurons and the formation of neuron leading processes during embryonic development (By similarity). Required for dopaminergic metabolism in presynaptic autoreceptors; potentially via activity as a presynaptic scaffold protein (By similarity).

AlphaFold DB , UniProt , Accession A0A096MJN4, Species RAT (Rattus norvegicus, Rat), Gene Septin4, Length 459 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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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
1M32.9Very low34.8Very low241 Ų241157.6 Ų157.6100%1.18779%0.785SS**  091.20-171-170.8-103.300107.1
2I36.1Very low35.7Very low174 Ų174154.5 Ų154.589%0.89277%0.773SS**  trans-165.1106.9154.2-86.1138.9000103.4
3K29.5Very low36.3Very low188 Ų188147.2 Ų147.282%0.81775%0.752SS**  trans-105153.9165.9-85.9-175169.7-1760106.8
4H31.1Very low36.7Very low155 Ų155147.4 Ų147.472%0.71875%0.748SS**  trans74.6108.8171.4-70-84.1000116.7
5F31.6Very low37.4Very low191 Ų191144.7 Ų144.784%0.83874%0.736SS**  177.8124.894.4-105.7-85.8000109.2
6L35.7Very low38Very low150 Ų150140.1 Ų140.179%0.78572%0.721SS**  trans167.676.1140-88.5154.7000108D8L6-D8 WeakPolarHBondContact CD2-OD2 3.46Å
7E30.9Very low38.3Very low172 Ų172141.1 Ų141.180%0.80472%0.719SS**  trans-84.8106.7151.3-76.8173.3146.300105.9
8D37.3Very low38.4Very low130 Ų130143.4 Ų143.470%0.69572%0.723SS**  trans-113.175.3165.6-85.6-28.8000108.3L6 S10L6-D8 WeakPolarHBondContact CD2-OD2 3.46Å; D8-S10 PolarHBondContact O-N 3.46Å
9N33Very low38.8Very low134 Ų134142 Ų14272%0.71772%0.722SS**THydrogen-bonded Turntrans-83.653.7169.4-82.2-13.6000110.9
10S41.9Very low39Very low74 Ų74143.5 Ų143.552%0.51772%0.723SS.*THydrogen-bonded Turntrans-98.2-31.6177.4-177.10000113.1D8D8-S10 PolarHBondContact O-N 3.46Å
11D42.4Very low39Very low125 Ų125142.5 Ų142.567%0.66872%0.721SS**Hα-helixtrans-83.2-30.3-169.6-66.7-12.7000112.9A13 E14 L15D11-A13 VanDerWaalsContact C-N 3.27Å; D11-A13 PolarHBondContact O-N 3.34Å; D11-E14 PolarHBondContact O-N 2.96Å; D11-L15 PolarHBondContact O-N 3.37Å
12D46.3Very low39.1Very low120 Ų120139.9 Ų139.964%0.64270%0.703SS**Hα-helixtrans-69.3-23.6175.6-82-27.4000113.3S16D12-S16 WeakPolarHBondContact O-CB 3.4Å; D12-S16 PolarHBondContact O-N 3.44Å; D12-S16 VanDerWaalsContact O-N 3.12Å; D12-S16 PolarHBondContact O-OG 3.02Å
13A43.4Very low38.9Very low60 Ų60137.3 Ų137.350%0.49670%0.698SS.*Hα-helixtrans-76.9-27.4178.900000112.7D11 S16D11-A13 VanDerWaalsContact C-N 3.27Å; D11-A13 PolarHBondContact O-N 3.34Å; A13-S16 PolarHBondContact O-OG 2.79Å
14E41.8Very low39Very low149 Ų149131.8 Ų131.870%0.69669%0.694SS**Hα-helixtrans-82.1-36.8174.8-69-160.1152.200111.8D11 K17 F18D11-E14 PolarHBondContact O-N 2.96Å; E14-K17 WeakPolarHBondContact O-CB 3.39Å; E14-K17 PolarHBondContact O-N 3.5Å; E14-F18 PolarHBondContact O-N 3.32Å
15L47.6Very low38.7Very low107 Ų107130 Ų13056%0.5670%0.698SS**Hα-helixtrans-65.6-43.1175.4-98154.7000112.8D11 K17 F18 V19D11-L15 PolarHBondContact O-N 3.37Å; L15-K17 PolarHBondContact O-N 3.03Å; L15-F18 PolarHBondContact O-N 3.4Å; L15-F18 VanDerWaalsContact O-N 3.09Å; L15-V19 PolarHBondContact O-N 3.25Å
16S46.4Very low38.3Very low72 Ų72130.1 Ų130.150%0.50370%0.702SS.*Hα-helixtrans-66.7-17.8176.654.80000113.8D12 A13D12-S16 WeakPolarHBondContact O-CB 3.4Å; D12-S16 PolarHBondContact O-N 3.44Å; D12-S16 VanDerWaalsContact O-N 3.12Å; D12-S16 PolarHBondContact O-OG 3.02Å; A13-S16 PolarHBondContact O-OG 2.79Å
17K42.6Very low37.7Very low157 Ų157129.1 Ų129.168%0.68370%0.704SS**Hα-helixtrans-81.8-31.4173-133.5176.5-176.4179.60112.2E14 L15E14-K17 WeakPolarHBondContact O-CB 3.39Å; E14-K17 PolarHBondContact O-N 3.5Å; L15-K17 PolarHBondContact O-N 3.03Å
18F40.6Very low37.1Very low182 Ų182126 Ų12680%0.79870%0.701SS**Hα-helixtrans-71.9-32.6-179.1-139.5-92.4000112.8E14 L15E14-F18 PolarHBondContact O-N 3.32Å; L15-F18 PolarHBondContact O-N 3.4Å; L15-F18 VanDerWaalsContact O-N 3.09Å
19V46.3Very low36.4Very low117 Ų117128 Ų12871%0.70971%0.705SS**THydrogen-bonded Turntrans-77.5-22.8179.3179.70000112.8L15L15-V19 PolarHBondContact O-N 3.25Å
20K43.2Very low36.1Very low171 Ų171127 Ų12774%0.74371%0.706SS**THydrogen-bonded Turntrans-75.9-24.3-176.2-93.9179.5176.9173.90115F22K20-F22 PolarHBondContact O-N 3.38Å
21D37.7Very low35Very low124 Ų124129.5 Ų129.566%0.66372%0.718SS**THydrogen-bonded Turntrans-85.4-5.2-170.3-79.5-13.1000114.4
22F35.9Very low34.1Very low186 Ų186132.6 Ų132.682%0.81673%0.729SS**  trans-14680.9175.8-69-83.2000113.2K20 G24K20-F22 PolarHBondContact O-N 3.38Å; F22-G24 PolarHBondContact O-N 2.96Å; F22-G24 VanDerWaalsContact O-N 3.13Å
23P32.6Very low32.8Very low120 Ų120132 Ų13278%0.77973%0.734SS**  trans-73.2105.1169.228.9-29.7000109.4S25P23-S25 PolarHBondContact O-N 3.31Å
24G30.2Very low32Very low72 Ų72138.7 Ų138.774%0.74275%0.752SS**  trans-65.3109.6169.200000110.9F22F22-G24 PolarHBondContact O-N 2.96Å; F22-G24 VanDerWaalsContact O-N 3.13Å
25S25.7Very low30.9Very low116 Ų116137.3 Ų137.381%0.81175%0.754SS**  trans22.196.5149.1-48.20000117.8P23P23-S25 PolarHBondContact O-N 3.31Å
26E23.1Very low29.8Very low195 Ų195143.7 Ų143.791%0.91177%0.77SS**PPolyproline II helixtrans-66.8133167.5-70.6-176.6149.700112.5
27P23.2Very low28.6Very low129 Ų129146.6 Ų146.684%0.83879%0.785SS**PPolyproline II helixtrans-86.8129157.4-4.322.8000111.3
28C18.6Very low27.5Very low107 Ų107143.5 Ų143.572%0.72379%0.788SS**PPolyproline II helixtrans-61.3139.4179.2-96.30000116.3
29H22.4Very low26.8Very low171 Ų171146.6 Ų146.679%0.79280%0.795SS**  trans77.7154.8149.4-64.6-57.2000120.7
30P26.5Very low25.9Very low112 Ų112145.8 Ų145.873%0.72779%0.792SS**  cis-126.1161.5-13.429.8-9.1000115.6
31T19.2Very low24.8Very low127 Ų127146.5 Ų146.578%0.77980%0.798SS**  trans-34.7128.316349.70000117.4
32E22.8Very low24.2Very low190 Ų190149 Ų14989%0.88881%0.81SS**  trans-137.9110.8139.3-87.1-161.4158.700111.1
33S20Very low23.4Very low107 Ų107147.8 Ų147.875%0.74881%0.811SS**  trans-83.9118.917449.90000110.9
34K26.3Very low23.1Very low202 Ų202150.7 Ų150.788%0.87881%0.814SS**  trans-139.698156.9-79.1-173.4-178.8156.70112.1
35T18.8Very low23.2Very low120 Ų120152.5 Ų152.574%0.73681%0.812SS**  trans-63.1137.4161.4-44.80000111.8
36R24.3Very low22.9Very low240 Ų240158.4 Ų158.491%0.90682%0.817SS**  trans177.994.7146.5-100.6169.6-174.3-162.11.9108.1
37V21.6Very low23.2Very low134 Ų134155.3 Ų155.381%0.81281%0.814SS**  62.8118.189.7-1790000114.3
38A18.9Very low23.1Very low91 Ų91157.6 Ų157.675%0.75281%0.813SS**  trans-70.8152.9176.400000114.9
39R24.6Very low23.3Very low248 Ų248157.7 Ų157.794%0.93682%0.815SS**  trans-160.3157149.9-116.7-155.7150.4148.9-7.6110.9
40P27.8Very low23.8Very low100 Ų100155 Ų15565%0.64981%0.813SS**  trans-123177.9-145.547.2-37.7000115.3
41Q20.2Very low23.5Very low185 Ų185156.5 Ų156.586%0.86482%0.815SS**  trans51.3115.6151.9-68.2-170.34.600120
42I26.3Very low23.9Very low178 Ų178158.9 Ų158.991%0.91382%0.822SS**  trans-137.5130.7139.5-63.1-176.8000108.5
43L19.2Very low23.7Very low160 Ų160155.2 Ų155.284%0.83882%0.816SS**  trans-115.3135.1179.7-169.1100.4000106.6
44E25.2Very low23.8Very low180 Ų180156.9 Ų156.984%0.84182%0.816SS**  trans154.6161.2155.4-94.4-165.3155.900111.9
45P32Very low23.6Very low110 Ų110152.9 Ų152.971%0.71480%0.804SS**  cis-135.1170.8-4734.9-16000113.7
46R19.1Very low23.7Very low240 Ų240154.1 Ų154.191%0.90681%0.806SS**PPolyproline II helixtrans-67.2150.2171.7-70172.7163.4176.6-6.7113.6
47P29.9Very low23.9Very low131 Ų131148.9 Ų148.985%0.85180%0.801SS**PPolyproline II helixtrans-96.8147.6152.922.6-6.8000112.5
48Q20.7Very low23.9Very low177 Ų177151 Ų15183%0.82780%0.802SS**PPolyproline II helixtrans-101147.2-175.2-63.1168.4-34.600111.6
49S22.6Very low24.3Very low109 Ų109156.6 Ų156.676%0.76281%0.81SS**  trans59.3165.8140.467.40000119.9
50P33Very low24Very low114 Ų114155.7 Ų155.774%0.7481%0.806SS**  cis-135.31727.235.1-13.9000116.6
51D21.2Very low23.8Very low144 Ų144154.7 Ų154.777%0.7781%0.806SS**  trans-47.3156.1162.1-57.2-65.1000114.3
52L26.8Very low23.9Very low177 Ų177151.5 Ų151.593%0.92780%0.8SS**  -173.2142.4127.7-96.4164.2000111.7
53C19.3Very low23.7Very low112 Ų112149.6 Ų149.676%0.75779%0.79SS**  trans-90.9173.7-173-57.80000112.9
54D22.3Very low24Very low142 Ų142152.5 Ų152.576%0.75979%0.791SS**  trans95.3116.1138.2-117.9-130.3000120.9
55D21.9Very low23.8Very low118 Ų118149.4 Ų149.463%0.63179%0.789SS**  70.9120.4125.7-96.2-42.8000124.3
56D21.6Very low23.6Very low146 Ų146153.5 Ų153.578%0.78180%0.798SS**  62.9150.3126.3-92.5-15.2000123.7
57V28.3Very low24.3Very low130 Ų130147.3 Ų147.379%0.78879%0.789SS**  trans121.6107.6147.7-1710000115.8
58E20Very low24.1Very low179 Ų179146.6 Ų146.684%0.83679%0.787SS**  trans-42143.3158.1-60.8173.5125.900114.1
59F28Very low24.3Very low209 Ų209145.3 Ų145.392%0.91779%0.786SS**  trans-147.1145.6139.7-129.8-90.7000113.2
60R19.6Very low24.7Very low229 Ų229145.3 Ų145.386%0.86479%0.786SS**  trans-89.6160.5-164.2-160.1-178.3-173167.50.9110.7
61A23.5Very low24.6Very low78 Ų78147.1 Ų147.165%0.64579%0.785SS**  trans102.7117.413500000120.3
62T21.9Very low25.1Very low118 Ų118148.5 Ų148.572%0.72479%0.787SS**  79.3118126.135.80000123.3
63L21.4Very low25.3Very low138 Ų138148.9 Ų148.972%0.72378%0.777SS**  87.9128.9118.7-80.8166.2000121.8
64W24.8Very low25.9Very low222 Ų222152.4 Ų152.484%0.84178%0.78SS**  trans95.1112.9156.3-55.34.7000115.1
65S21.6Very low26.2Very low115 Ų115151 Ų15180%0.80478%0.78SS**  6988.857.4-57.10000115
66Q29Very low27Very low195 Ų195150.9 Ų150.991%0.91179%0.785SS**  -177.2153.2120.7-107.5-173-9.400112.1
67P32.9Very low27.7Very low111 Ų111150 Ų15072%0.72179%0.787SS**  trans-101.9153.3-172.638.5-29.5000112.2
68S26.5Very low28.3Very low115 Ų115147.9 Ų147.980%0.80478%0.784SS**  trans-171.5123.1146.5-78.60000110.1
69D25Very low29.3Very low150 Ų150145.3 Ų145.380%0.80278%0.783SS**  trans32.5115.6144.9-63-25.1000119.6
70S29.5Very low30Very low109 Ų109143.1 Ų143.176%0.76278%0.78SS**  164130.9112.8-72.70000112
71Q32.3Very low30.8Very low153 Ų153136.3 Ų136.372%0.71577%0.767SS**  trans64.397.8154.9-64.7179.6-0.100118.1Y73Q71-Y73 HydrophobicContact CB-CD2 4.29Å; Q71-Y73 HydrophobicContact CB-CE2 4.07Å; Q71-Y73 PolarHBondContact O-N 2.92Å
72Q29.9Very low32.1Very low173 Ų173137.7 Ų137.781%0.80877%0.77SS**  trans-59.491.7161.6-73.7171.6-16.200110.8F74Q72-F74 HydrophobicContact CB-CE2 4.46Å
73Y31Very low33.4Very low185 Ų185137.7 Ų137.773%0.72577%0.774SS**  trans-85.2110.3153.2-74.7-86.4000107.4Q71 C75Q71-Y73 HydrophobicContact CB-CD2 4.29Å; Q71-Y73 HydrophobicContact CB-CE2 4.07Å; Q71-Y73 PolarHBondContact O-N 2.92Å; Y73-C75 VanDerWaalsContact C-N 3.3Å; Y73-C75 PolarHBondContact O-N 3.34Å
74F32Very low34.4Very low186 Ų186135.3 Ų135.382%0.81677%0.77SS**  trans-66.289.2170.5-80.7-94.3000108.9Q72Q72-F74 HydrophobicContact CB-CE2 4.46Å
75C29.8Very low35.6Very low113 Ų113134.2 Ų134.276%0.76477%0.765SS**PPolyproline II helixtrans-75122.9163.8-81.70000108.7Y73Y73-C75 VanDerWaalsContact C-N 3.3Å; Y73-C75 PolarHBondContact O-N 3.34Å
76P37.3Very low36.8Very low114 Ų114134.4 Ų134.474%0.7476%0.764SS**PPolyproline II helixtrans-67.1147.117926.8-31.7000110.7A78P76-A78 PolarHBondContact O-N 3.46Å
77P37.7Very low37.9Very low127 Ų127133.8 Ų133.883%0.82575%0.753SS**PPolyproline II helixtrans-64.3135.5-174.123.9-31.4000111.6
78A40.4Very low39Very low87 Ų87131.7 Ų131.772%0.71974%0.741SS**PPolyproline II helixtrans-55.9141.7175.600000111.2P76 L80P76-A78 PolarHBondContact O-N 3.46Å; A78-L80 PolarHBondContact O-N 3.04Å
79P41.9Very low40.4Very low125 Ų125131.3 Ų131.381%0.81274%0.736SS**PPolyproline II helixtrans-65.7125.4-17423.5-30.6000111.3
80L40.9Very low41.8Very low162 Ų162133.1 Ų133.185%0.84873%0.732SS**PPolyproline II helixtrans-54.3134.3174.7-68.7161.8000110.6A78A78-L80 PolarHBondContact O-N 3.04Å
81S37.3Very low43Very low87 Ų87128.7 Ų128.761%0.60870%0.703SS**PPolyproline II helixtrans-57.3136.5-178.2-52.50000112.3S83 S84S81-S83 VanDerWaalsContact C-N 3.27Å; S81-S83 PolarHBondContact O-N 3.39Å; S81-S83 VanDerWaalsContact O-N 3.11Å; S81-S84 PolarHBondContact O-OG 3.44Å
82P50.6Low44.1Very low106 Ų106130.8 Ų130.869%0.68871%0.71SS**G310 helixtrans-72.4-5.2-164.624-32000116.2S84P82-S84 PolarHBondContact O-N 3.1Å
83S48.5Very low45.4Very low118 Ų118129.4 Ų129.483%0.82571%0.707SS**G310 helixtrans-76.3-4.1-179.258.70000114.8S81S81-S83 VanDerWaalsContact C-N 3.27Å; S81-S83 PolarHBondContact O-N 3.39Å; S81-S83 VanDerWaalsContact O-N 3.11Å
84S43.5Very low46.7Very low89 Ų89122 Ų12262%0.62268%0.68SS**G310 helixtrans-102.12.1-175.661.40000115S81 P82 P86S81-S84 PolarHBondContact O-OG 3.44Å; P82-S84 PolarHBondContact O-N 3.1Å; S84-P86 WeakPolarHBondContact O-CD 3.48Å
85R50Low48.2Very low198 Ų198118.3 Ų118.375%0.74768%0.675SS**SBendtrans-70.1122177.4-174.1175.2-92.8-147.1-1.7109.5R87R85-R87 PolarHBondContact O-N 2.94Å; R85-R87 VanDerWaalsContact O-N 3.12Å
86P47.4Very low49.7Very low119 Ų119119.3 Ų119.377%0.77366%0.664SS**PPolyproline II helixtrans-59119.3178.2-20.430.8000110.2S84 S88S84-P86 WeakPolarHBondContact O-CD 3.48Å; P86-S88 PolarHBondContact O-N 3.24Å
87R52Low50.7Low183 Ų183117.2 Ų117.269%0.69165%0.646SS**PPolyproline II helixtrans-59.8123.3170.4-91.4-174.9173.2-111.5-3.8108.1R85 D97R85-R87 PolarHBondContact O-N 2.94Å; R85-R87 VanDerWaalsContact O-N 3.12Å; R87-D97 IonicContact NH1-OD2 3.58Å; R87-D97 PolarHBondContact NH1-OD2 3.35Å
88S55.3Low51.7Low66 Ų66114.3 Ų114.346%0.46263%0.629SS.*PPolyproline II helixtrans-65.2141174.184.70000109P86 W90 G91P86-S88 PolarHBondContact O-N 3.24Å; S88-W90 PolarHBondContact O-N 2.94Å; S88-G91 PolarHBondContact O-N 3.33Å; S88-G91 PolarHBondContact OG-N 3.42Å
89P56.3Low52.6Low108 Ų108114.9 Ų114.970%0.70163%0.628SS**THydrogen-bonded Turntrans-56.6-16.2174.8-26.434.6000114
90W55Low53.3Low188 Ų188117.5 Ų117.571%0.71263%0.629SS**THydrogen-bonded Turntrans-92.9-6.5-179.4-59.3-81000114.4S88 K92 L93S88-W90 PolarHBondContact O-N 2.94Å; W90-K92 PolarHBondContact O-N 3.37Å; W90-K92 VanDerWaalsContact O-N 3.11Å; W90-L93 PolarHBondContact O-N 3.07Å
91G53.3Low54.1Low16 Ų16115 Ų11517%0.16562%0.617CS.*G310 helixtrans-55.6-31.2179.500000113.3S88 L93 D94S88-G91 PolarHBondContact O-N 3.33Å; S88-G91 PolarHBondContact OG-N 3.42Å; G91-L93 PolarHBondContact O-N 3.25Å; G91-L93 VanDerWaalsContact O-N 3.16Å; G91-D94 WeakPolarHBondContact O-CB 3.5Å; G91-D94 PolarHBondContact O-N 3.2Å; G91-D94 VanDerWaalsContact O-N 3.12Å
92K56.5Low55.2Low197 Ų197115.8 Ų115.886%0.85761%0.614SS**G310 helixtrans-65.4-16.3176.7-72.5-170.2177.1-174.40115.2W90W90-K92 PolarHBondContact O-N 3.37Å; W90-K92 VanDerWaalsContact O-N 3.11Å
93L57.2Low56Low143 Ų143120.2 Ų120.275%0.74962%0.622SS**G310 helixtrans-100.40.6177.9-85.2122.8000112.6W90 G91 P95W90-L93 PolarHBondContact O-N 3.07Å; G91-L93 PolarHBondContact O-N 3.25Å; G91-L93 VanDerWaalsContact O-N 3.16Å; L93-P95 WeakPolarHBondContact O-CD 3.45Å
94D58.2Low57Low30 Ų30123.2 Ų123.216%0.1662%0.623CS.*  trans-85.4115.1-179.1-160.9-20.7000109.9G91 Y96 D97 Y105G91-D94 WeakPolarHBondContact O-CB 3.5Å; G91-D94 PolarHBondContact O-N 3.2Å; G91-D94 VanDerWaalsContact O-N 3.12Å; D94-Y96 PolarHBondContact O-N 2.98Å; D94-Y96 VanDerWaalsContact O-N 3.08Å; D94-Y96 WeakPolarHBondContact OD1-CD2 3.4Å; D94-Y96 PolarHBondContact OD1-N 3.11Å; D94-D97 HydrophobicContact CB-CB 4.36Å; D94-D97 PolarHBondContact O-N 3.08Å; D94-Y105 PolarHBondContact OD1-OH 3.03Å; D94-Y105 VanDerWaalsContact OD2-CE1 3.24Å; D94-Y105 WeakPolarHBondContact OD2-CE1 3.46Å; D94-Y105 VanDerWaalsContact OD2-CZ 3.22Å; D94-Y105 PolarHBondContact OD2-OH 3.33Å
95P63.7Low58.6Low109 Ų109122.3 Ų122.371%0.70861%0.607SS**THydrogen-bonded Turntrans-60.7-15.6174.9-18.932.1000113.1L93L93-P95 WeakPolarHBondContact O-CD 3.45Å
96Y59.6Low60.1Low134 Ų134117.7 Ų117.753%0.52560%0.601SS.*THydrogen-bonded Turntrans-10313.4-178.1-54.2-77.1000113.4D94 S98D94-Y96 PolarHBondContact O-N 2.98Å; D94-Y96 VanDerWaalsContact O-N 3.08Å; D94-Y96 WeakPolarHBondContact OD1-CD2 3.4Å; D94-Y96 PolarHBondContact OD1-N 3.11Å; Y96-S98 PolarHBondContact O-N 3.43Å
97D58.5Low61.8Low69 Ų69113 Ų11337%0.36957%0.574SS.*  trans-74.956.8170.3-16325.6000110.6R87 D94R87-D97 IonicContact NH1-OD2 3.58Å; R87-D97 PolarHBondContact NH1-OD2 3.35Å; D94-D97 HydrophobicContact CB-CB 4.36Å; D94-D97 PolarHBondContact O-N 3.08Å
98S58.6Low63.4Low67 Ų67111.3 Ų111.347%0.46957%0.571SS.*  trans-91.2124.3166490000109.2Y96 E100 D101Y96-S98 PolarHBondContact O-N 3.43Å; S98-E100 PolarHBondContact O-N 3.34Å; S98-D101 PolarHBondContact O-N 3.08Å
99S59.6Low64.9Low99 Ų99110.6 Ų110.669%0.69257%0.569SS**THydrogen-bonded Turntrans-58.7-2.5-172.654.60000116.7
100E57.2Low66.3Low180 Ų180107 Ų10784%0.84155%0.546SS*.THydrogen-bonded Turntrans-94.3-17.1-176.8-60.9-155.8148.400113.9S98S98-E100 PolarHBondContact O-N 3.34Å
101D57.2Low68Low109 Ų109101.8 Ų101.858%0.58353%0.531SS*.  trans-110.619.3-175.5-71.5-30.8000114.8S98 K103 E104 Y105S98-D101 PolarHBondContact O-N 3.08Å; D101-K103 PolarHBondContact O-N 3.02Å; D101-E104 PolarHBondContact O-N 3.5Å; D101-Y105 WeakPolarHBondContact O-CB 3.46Å; D101-Y105 PolarHBondContact O-N 3.49Å
102D61.5Low69.8Low104 Ų104105.1 Ų105.156%0.55655%0.55SS**THydrogen-bonded Turntrans-61.3-17-175.2-86.3-22000114.9
103K66.8Low71.3Confident199 Ų19999.9 Ų99.987%0.86553%0.532SS*.THydrogen-bonded Turntrans-84.9-26.5-176.2-73.2-176.3-178.1174.60114.5D101D101-K103 PolarHBondContact O-N 3.02Å
104E70Confident72.9Confident181 Ų18197.5 Ų97.585%0.84652%0.517SS*.THydrogen-bonded Turntrans-117.2-5.1-178.3-69.6-178-17800113.1D101 V106D101-E104 PolarHBondContact O-N 3.5Å; E104-V106 PolarHBondContact O-N 2.89Å
105Y76.5Confident74.4Confident69 Ų69100.4 Ų100.427%0.27154%0.535SS..  trans-74.396.4179.2-166.6-109.4000112.8D94 D101 A109D94-Y105 PolarHBondContact OD1-OH 3.03Å; D94-Y105 VanDerWaalsContact OD2-CE1 3.24Å; D94-Y105 WeakPolarHBondContact OD2-CE1 3.46Å; D94-Y105 VanDerWaalsContact OD2-CZ 3.22Å; D94-Y105 PolarHBondContact OD2-OH 3.33Å; D101-Y105 WeakPolarHBondContact O-CB 3.46Å; D101-Y105 PolarHBondContact O-N 3.49Å; Y105-A109 HydrophobicContact CE2-CB 4.06Å
106V82.5Confident75.6Confident102 Ų102101.2 Ų101.262%0.61853%0.529SS*.  trans-82.3-21.8176.6-175.20000112.5E104 F108E104-V106 PolarHBondContact O-N 2.89Å; V106-F108 HydrophobicContact CB-CD2 3.93Å; V106-F108 HydrophobicContact CB-CE2 4.15Å; V106-F108 HydrophobicContact CG1-CD2 3.71Å; V106-F108 HydrophobicContact CG1-CE2 3.49Å; V106-F108 VanDerWaalsContact CG1-CE2 3.49Å; V106-F108 HydrophobicContact CG1-CZ 4.16Å
107G82.1Confident77Confident20 Ų20103.3 Ų103.321%0.20654%0.536CS..SBendtrans93.11.9-17900000115.8A109 T110G107-A109 PolarHBondContact O-N 3.33Å; G107-T110 PolarHBondContact O-N 3.05Å; G107-T110 VanDerWaalsContact O-N 3.12Å; G107-T110 PolarHBondContact O-OG1 2.91Å
108F86Confident78.5Confident147 Ų147107.8 Ų107.865%0.64555%0.552SS**G310 helixtrans-58.3-26.8172.4-69.9-58000112.9V106 T110 L111V106-F108 HydrophobicContact CB-CD2 3.93Å; V106-F108 HydrophobicContact CB-CE2 4.15Å; V106-F108 HydrophobicContact CG1-CD2 3.71Å; V106-F108 HydrophobicContact CG1-CE2 3.49Å; V106-F108 VanDerWaalsContact CG1-CE2 3.49Å; V106-F108 HydrophobicContact CG1-CZ 4.16Å; F108-T110 PolarHBondContact O-N 3.07Å; F108-T110 VanDerWaalsContact O-N 3.09Å; F108-L111 HydrophobicContact CB-CD1 4.45Å; F108-L111 HydrophobicContact CD1-CD1 3.66Å; F108-L111 HydrophobicContact CD1-CG 4.41Å; F108-L111 HydrophobicContact CE1-CD1 4.47Å; F108-L111 VanDerWaalsContact O-CB 3.31Å; F108-L111 WeakPolarHBondContact O-CB 3.44Å; F108-L111 WeakPolarHBondContact O-CG 3.37Å; F108-L111 PolarHBondContact O-N 3.15Å
109A86.7Confident79.9Confident51 Ų51106.9 Ų106.942%0.42155%0.546SS..G310 helixtrans-56.4-24.3175.500000113.2Y105 G107 P112Y105-A109 HydrophobicContact CE2-CB 4.06Å; G107-A109 PolarHBondContact O-N 3.33Å; A109-P112 WeakPolarHBondContact O-CD 3.5Å
110T86.4Confident81.3Confident33 Ų33104 Ų10420%0.20253%0.525CS..G310 helixtrans-84-13.317770.20000114G107 F108 N113 Q114G107-T110 PolarHBondContact O-N 3.05Å; G107-T110 VanDerWaalsContact O-N 3.12Å; G107-T110 PolarHBondContact O-OG1 2.91Å; F108-T110 PolarHBondContact O-N 3.07Å; F108-T110 VanDerWaalsContact O-N 3.09Å; T110-N113 WeakPolarHBondContact O-CB 3.44Å; T110-N113 PolarHBondContact O-N 3.38Å; T110-N113 VanDerWaalsContact O-N 3.15Å; T110-Q114 WeakPolarHBondContact O-CG 3.25Å; T110-Q114 PolarHBondContact O-N 3.35Å; T110-Q114 PolarHBondContact OG1-NE2 3.37Å
111L89.2Confident82.8Confident78 Ų78104.5 Ų104.541%0.40852%0.524SS..Hα-helixtrans-57.3-43.6-177.1-72.2-179.8000113.4F108 N113 Q114 V115F108-L111 HydrophobicContact CB-CD1 4.45Å; F108-L111 HydrophobicContact CD1-CD1 3.66Å; F108-L111 HydrophobicContact CD1-CG 4.41Å; F108-L111 HydrophobicContact CE1-CD1 4.47Å; F108-L111 VanDerWaalsContact O-CB 3.31Å; F108-L111 WeakPolarHBondContact O-CB 3.44Å; F108-L111 WeakPolarHBondContact O-CG 3.37Å; F108-L111 PolarHBondContact O-N 3.15Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 2.92Å; L111-Q114 WeakPolarHBondContact O-CB 3.5Å; L111-Q114 PolarHBondContact O-N 2.98Å; L111-Q114 VanDerWaalsContact O-N 3.13Å; L111-V115 WeakPolarHBondContact O-CG2 3.42Å; L111-V115 PolarHBondContact O-N 2.95Å
112P90.8Very high84.2Confident86 Ų86107.6 Ų107.656%0.55853%0.532SS*.Hα-helixtrans-57.7-44.7175.3-25.736000112.2A109 Q114 V115 H116A109-P112 WeakPolarHBondContact O-CD 3.5Å; P112-Q114 VanDerWaalsContact C-N 3.32Å; P112-Q114 PolarHBondContact O-N 3.39Å; P112-V115 PolarHBondContact O-N 3.5Å; P112-H116 VanDerWaalsContact O-CB 3.24Å; P112-H116 WeakPolarHBondContact O-CB 3.44Å; P112-H116 PolarHBondContact O-N 3.26Å
113N89.2Confident85.6Confident88 Ų88103.6 Ų103.647%0.47152%0.515SS..Hα-helixtrans-64.3-36.2176.6-69.8-29.1000112.1T110 L111 R117T110-N113 WeakPolarHBondContact O-CB 3.44Å; T110-N113 PolarHBondContact O-N 3.38Å; T110-N113 VanDerWaalsContact O-N 3.15Å; L111-N113 VanDerWaalsContact C-N 3.33Å; L111-N113 PolarHBondContact O-N 2.92Å; N113-R117 WeakPolarHBondContact O-CB 3.45Å; N113-R117 PolarHBondContact O-N 3.07Å
114Q90.3Very high86.7Confident93 Ų9396.9 Ų96.944%0.43549%0.486SS..Hα-helixtrans-65.7-45.4174.8-68-179.543.800111.8T110 L111 P112 K118T110-Q114 WeakPolarHBondContact O-CG 3.25Å; T110-Q114 PolarHBondContact O-N 3.35Å; T110-Q114 PolarHBondContact OG1-NE2 3.37Å; L111-Q114 WeakPolarHBondContact O-CB 3.5Å; L111-Q114 PolarHBondContact O-N 2.98Å; L111-Q114 VanDerWaalsContact O-N 3.13Å; P112-Q114 VanDerWaalsContact C-N 3.32Å; P112-Q114 PolarHBondContact O-N 3.39Å; Q114-K118 VanDerWaalsContact O-CB 3.29Å; Q114-K118 WeakPolarHBondContact O-CB 3.47Å; Q114-K118 PolarHBondContact O-N 3.13Å
115V90.2Very high87.8Confident91 Ų9190.4 Ų90.455%0.55246%0.457SS*.Hα-helixtrans-66-48.5178.1175.70000110.1L111 P112 R117 K118 S119L111-V115 WeakPolarHBondContact O-CG2 3.42Å; L111-V115 PolarHBondContact O-N 2.95Å; P112-V115 PolarHBondContact O-N 3.5Å; V115-R117 PolarHBondContact O-N 3.03Å; V115-K118 PolarHBondContact O-N 3.11Å; V115-S119 WeakPolarHBondContact O-CB 3.45Å; V115-S119 PolarHBondContact O-N 3.29Å; V115-S119 PolarHBondContact O-OG 3.48Å; V115-S119 VanDerWaalsContact O-OG 3.08Å
116H88.7Confident88.6Confident125 Ų12587.2 Ų87.258%0.57945%0.445SS*.Hα-helixtrans-54.8-52.7176.4178.677.4000111.4P112 K118 S119 V120P112-H116 VanDerWaalsContact O-CB 3.24Å; P112-H116 WeakPolarHBondContact O-CB 3.44Å; P112-H116 PolarHBondContact O-N 3.26Å; H116-K118 VanDerWaalsContact C-N 3.3Å; H116-K118 PolarHBondContact O-N 3.24Å; H116-S119 PolarHBondContact O-N 3.01Å; H116-V120 WeakPolarHBondContact O-CG2 3.42Å; H116-V120 PolarHBondContact O-N 3.26Å
117R88.7Confident89.2Confident178 Ų17882.5 Ų82.567%0.67242%0.416SS*.Hα-helixtrans-60.4-38.8178.5-175.3173.464.5-177.4-1.8112.4N113 V115 K121N113-R117 WeakPolarHBondContact O-CB 3.45Å; N113-R117 PolarHBondContact O-N 3.07Å; V115-R117 PolarHBondContact O-N 3.03Å; R117-K121 VanDerWaalsContact O-CB 3.3Å; R117-K121 WeakPolarHBondContact O-CB 3.44Å; R117-K121 PolarHBondContact O-N 3.07Å; R117-K121 VanDerWaalsContact O-N 3.1Å
118K89.8Confident89.8Confident163 Ų16381.5 Ų81.571%0.70941%0.406SS*.Hα-helixtrans-68-41.4177.3-173.2178.8178.8-176.20111.6Q114 V115 H116 K121 K122Q114-K118 VanDerWaalsContact O-CB 3.29Å; Q114-K118 WeakPolarHBondContact O-CB 3.47Å; Q114-K118 PolarHBondContact O-N 3.13Å; V115-K118 PolarHBondContact O-N 3.11Å; H116-K118 VanDerWaalsContact C-N 3.3Å; H116-K118 PolarHBondContact O-N 3.24Å; K118-K121 PolarHBondContact O-N 3.3Å; K118-K122 PolarHBondContact O-N 3.01Å
119S88.7Confident90.2Very high48 Ų4874.5 Ų74.534%0.33638%0.375SS..Hα-helixtrans-66.3-48178.1-64.50000111.7V115 H116 K121 K122 G123V115-S119 WeakPolarHBondContact O-CB 3.45Å; V115-S119 PolarHBondContact O-N 3.29Å; V115-S119 PolarHBondContact O-OG 3.48Å; V115-S119 VanDerWaalsContact O-OG 3.08Å; H116-S119 PolarHBondContact O-N 3.01Å; S119-K121 VanDerWaalsContact C-N 3.3Å; S119-K121 PolarHBondContact O-N 3.38Å; S119-K122 PolarHBondContact O-N 2.89Å; S119-K122 VanDerWaalsContact O-N 3.15Å; S119-G123 PolarHBondContact O-N 3.25Å
120V89.6Confident90.5Very high40 Ų4072.1 Ų72.124%0.24236%0.356CS..Hα-helixtrans-60.5-40.1176.4175.10000111.3H116 G123H116-V120 WeakPolarHBondContact O-CG2 3.42Å; H116-V120 PolarHBondContact O-N 3.26Å; V120-G123 PolarHBondContact O-N 3.3Å
121K88.1Confident90.8Very high189 Ų18970.6 Ų70.682%0.82235%0.346SS*.Hα-helixtrans-66.1-37.1176.3-176.2176-180178.10113.1R117 K118 S119 G123R117-K121 VanDerWaalsContact O-CB 3.3Å; R117-K121 WeakPolarHBondContact O-CB 3.44Å; R117-K121 PolarHBondContact O-N 3.07Å; R117-K121 VanDerWaalsContact O-N 3.1Å; K118-K121 PolarHBondContact O-N 3.3Å; S119-K121 VanDerWaalsContact C-N 3.3Å; S119-K121 PolarHBondContact O-N 3.38Å; K121-G123 VanDerWaalsContact C-N 3.3Å
122K87.2Confident90.9Very high175 Ų17566.9 Ų66.976%0.76133%0.326SS*.Hα-helixtrans-68.1-34.8175.6-173-177.7175.2-169.20110.9K118 S119K118-K122 PolarHBondContact O-N 3.01Å; S119-K122 PolarHBondContact O-N 2.89Å; S119-K122 VanDerWaalsContact O-N 3.15Å
123G89.5Confident90.7Very high19 Ų1964.6 Ų64.620%0.19631%0.309CS..  trans79.7171.7-170.400000111.7S119 V120 K121 R182S119-G123 PolarHBondContact O-N 3.25Å; V120-G123 PolarHBondContact O-N 3.3Å; K121-G123 VanDerWaalsContact C-N 3.3Å; G123-R182 WeakPolarHBondContact CA-O 3.49Å
124F91.3Very high90.6Very high59 Ų5962.8 Ų62.826%0.25930%0.302SS..EExtended strand (participates in β ladder)trans-110.3146.4179.4-61.3-85.6000109.9V181 R182 L183 R184F124-V181 HydrophobicContact CD2-CG1 3.55Å; F124-V181 HydrophobicContact CE2-CG1 3.6Å; F124-R182 PolarHBondContact N-O 3.26Å; F124-L183 HydrophobicContact CB-CD1 3.75Å; F124-L183 CarbonylContact O-C 3.58Å; F124-L183 WeakPolarHBondContact O-CA 3.43Å; F124-R184 PolarHBondContact O-N 3.48Å
125D92.5Very high90.5Very high44 Ų4460.9 Ų60.924%0.23531%0.308CS..EExtended strand (participates in β ladder)trans-119138.4172.947.32000110.2R184 K377D125-R184 CarbonylContact C-O 3.6Å; D125-R184 WeakPolarHBondContact CA-O 3.42Å; D125-K377 WeakPolarHBondContact O-CE 3.41Å; D125-K377 PolarHBondContact O-NZ 2.65Å; D125-K377 IonicContact OD1-NZ 3.34Å; D125-K377 PolarHBondContact OD1-NZ 3.2Å
126F94.1Very high90.5Very high3 Ų357 Ų571%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-145.1112.9176.7-169.2-108.7000110.7L128 L183 R184 L185 T186 H235 C236 M373 L376 K377F126-L128 HydrophobicContact CD1-CB 4.34Å; F126-L128 HydrophobicContact CE1-CB 4.05Å; F126-L128 HydrophobicContact CE1-CD1 4.04Å; F126-L183 HydrophobicContact CB-CD1 4.04Å; F126-R184 PolarHBondContact N-O 2.94Å; F126-L185 HydrophobicContact CB-CD1 4.45Å; F126-L185 HydrophobicContact CD1-CD1 3.82Å; F126-L185 CarbonylContact O-C 3.54Å; F126-L185 WeakPolarHBondContact O-CA 3.45Å; F126-L185 WeakPolarHBondContact O-CD1 3.4Å; F126-T186 PolarHBondContact O-N 2.89Å; F126-H235 HydrophobicContact CD2-CB 4.07Å; F126-H235 AromaticContact CD2-ND1 3.78Å; F126-H235 HydrophobicContact CE2-CB 3.72Å; F126-H235 HydrophobicContact CZ-CB 4.44Å; F126-C236 HydrophobicContact CZ-CB 4.05Å; F126-M373 HydrophobicContact CB-SD 4.22Å; F126-M373 HydrophobicContact CD2-CG 3.6Å; F126-M373 HydrophobicContact CD2-SD 4.25Å; F126-M373 HydrophobicContact CE2-CG 3.79Å; F126-M373 HydrophobicContact CG-CG 4.09Å; F126-M373 HydrophobicContact CG-SD 4.18Å; F126-M373 HydrophobicContact CZ-CG 4.42Å; F126-L376 HydrophobicContact CE2-CB 4.42Å; F126-L376 HydrophobicContact CE2-CD1 4.47Å; F126-L376 HydrophobicContact CZ-CD1 4.22Å; F126-K377 HydrophobicContact CD2-CD 4.45Å; F126-K377 HydrophobicContact CD2-CG 4.31Å
127T94.8Very high90.5Very high2 Ų252.3 Ų52.31%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-93117.8170.9-48.10000111.5T186 V188 R233 V234 H235T127-T186 CarbonylContact C-O 3.58Å; T127-T186 VanDerWaalsContact CA-O 3.23Å; T127-T186 WeakPolarHBondContact CA-O 2.95Å; T127-T186 HydrophobicContact CG2-CG2 4.21Å; T127-V188 HydrophobicContact CG2-CG2 3.79Å; T127-R233 WeakPolarHBondContact CB-O 3.22Å; T127-R233 PolarHBondContact OG1-O 3.44Å; T127-R233 VanDerWaalsContact OG1-O 3.1Å; T127-V234 HydrophobicContact CG2-CG2 4.14Å; T127-H235 PolarHBondContact N-CE1 3.46Å; T127-H235 PolarHBondContact N-ND1 3.3Å; T127-H235 PolarHBondContact O-N 3.04Å
128L94.4Very high90.6Very high0 Ų044.5 Ų44.50%024%0.241CC..EExtended strand (participates in β ladder)trans-111123.8177.1-174.966.8000109.8F126 V130 L145 F146 L185 T186 I187 V188 C236 L238F126-L128 HydrophobicContact CD1-CB 4.34Å; F126-L128 HydrophobicContact CE1-CB 4.05Å; F126-L128 HydrophobicContact CE1-CD1 4.04Å; L128-V130 HydrophobicContact CG-CG2 4.42Å; L128-L145 HydrophobicContact CD2-CD2 4.5Å; L128-F146 HydrophobicContact CD2-CE2 3.86Å; L128-F146 HydrophobicContact CD2-CZ 4.25Å; L128-L185 HydrophobicContact CB-CD1 4.48Å; L128-T186 PolarHBondContact N-O 3.43Å; L128-I187 CarbonylContact O-C 3.48Å; L128-I187 WeakPolarHBondContact O-CA 3.45Å; L128-V188 PolarHBondContact O-N 3.1Å; L128-C236 HydrophobicContact CD1-CB 3.86Å; L128-L238 HydrophobicContact CD1-CD1 4.12Å; L128-L238 HydrophobicContact CD1-CD2 4.07Å; L128-L238 HydrophobicContact CD1-CG 3.73Å; L128-L238 HydrophobicContact CD2-CD1 3.91Å; L128-L238 HydrophobicContact CD2-CG 4.4Å; L128-L238 HydrophobicContact CG-CD1 4.34Å; L128-L238 HydrophobicContact CG-CG 4.29Å
129M94.7Very high90.5Very high0 Ų037.6 Ų37.60%021%0.213CC..EExtended strand (participates in β ladder)trans-98.6141.9172.4-176.7164.7-162.300110.8V188 T190 V206 I210 V234 C236 C237 L238M129-V188 WeakPolarHBondContact CA-O 3.32Å; M129-V188 HydrophobicContact CB-CB 4.19Å; M129-V188 HydrophobicContact CE-CG1 4.16Å; M129-V188 HydrophobicContact CG-CB 4.22Å; M129-V188 HydrophobicContact CG-CG1 4.21Å; M129-V188 HydrophobicContact SD-CG1 4.39Å; M129-T190 HydrophobicContact CE-CG2 3.31Å; M129-V206 HydrophobicContact CE-CB 3.97Å; M129-V206 HydrophobicContact CE-CG1 3.26Å; M129-V206 HydrophobicContact CE-CG2 3.73Å; M129-V206 HydrophobicContact SD-CG1 3.85Å; M129-I210 HydrophobicContact SD-CD1 4.13Å; M129-I210 HydrophobicContact SD-CG1 4.29Å; M129-V234 HydrophobicContact CB-CG1 3.42Å; M129-V234 VanDerWaalsContact CB-CG1 3.42Å; M129-V234 HydrophobicContact CB-CG2 4.44Å; M129-V234 HydrophobicContact SD-CG1 4.49Å; M129-V234 HydrophobicContact SD-CG2 4.49Å; M129-C236 PolarHBondContact N-O 2.99Å; M129-C237 HydrophobicContact CB-CB 4.32Å; M129-C237 CarbonylContact O-C 3.48Å; M129-C237 WeakPolarHBondContact O-CA 3.4Å; M129-L238 PolarHBondContact O-N 2.98Å
130V93.1Very high90.5Very high1 Ų137 Ų371%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-126.4120.4-178.9177.10000109.3L128 K138 V142 V188 T190 L238 F240L128-V130 HydrophobicContact CG-CG2 4.42Å; V130-K138 HydrophobicContact CG1-CB 3.67Å; V130-K138 HydrophobicContact CG1-CD 3.91Å; V130-K138 HydrophobicContact CG1-CG 4.07Å; V130-V142 HydrophobicContact CG2-CG2 3.73Å; V130-V188 PolarHBondContact N-O 3.2Å; V130-T190 PolarHBondContact O-N 3.06Å; V130-T190 PolarHBondContact O-OG1 3.08Å; V130-L238 HydrophobicContact CG2-CB 4.48Å; V130-F240 HydrophobicContact CG1-CD2 4.12Å; V130-F240 HydrophobicContact CG1-CE2 3.61Å; V130-F240 HydrophobicContact CG1-CZ 4.4Å
131A92.2Very high90.6Very high0 Ų035.2 Ų35.20%020%0.196CC..EExtended strand (participates in β ladder)trans-134.8157.9-17700000112.4T190 L238 Y239 F240 F255A131-T190 WeakPolarHBondContact CA-OG1 3.28Å; A131-L238 PolarHBondContact N-O 3.47Å; A131-Y239 HydrophobicContact CB-CD2 4.12Å; A131-F240 WeakPolarHBondContact O-CD2 3.46Å; A131-F240 PolarHBondContact O-N 3.49Å; A131-F255 HydrophobicContact CB-CE1 3.9Å; A131-F255 HydrophobicContact CB-CE2 4.4Å; A131-F255 HydrophobicContact CB-CZ 3.48Å; A131-F255 VanDerWaalsContact CB-CZ 3.48Å
132G90.2Very high90.7Very high0 Ų026.3 Ų26.30%016%0.157CC..EExtended strand (participates in β ladder)trans128.2174.3-178.200000111.8K138 F193G132-K138 WeakPolarHBondContact O-CE 3.47Å; G132-K138 PolarHBondContact O-NZ 3.02Å; G132-F193 VanDerWaalsContact C-CD1 3.49Å
133E87.8Confident90.7Very high39 Ų3918.6 Ų18.618%0.18213%0.125CC..  trans-60.3154.2-169.6-55.7-163.4123.200114.2L136 K138 F193 S242 R249E133-L136 HydrophobicContact CB-CD1 3.75Å; E133-L136 HydrophobicContact CB-CG 3.92Å; E133-L136 HydrophobicContact CG-CD1 4.26Å; E133-K138 PolarHBondContact O-NZ 3Å; E133-F193 WeakPolarHBondContact CA-O 3.46Å; E133-S242 WeakPolarHBondContact OE2-CB 3.35Å; E133-S242 PolarHBondContact OE2-OG 2.98Å; E133-R249 IonicContact OE1-CZ 3.71Å; E133-R249 IonicContact OE1-NH1 3.98Å; E133-R249 PolarHBondContact OE1-NH1 3.29Å; E133-R249 IonicContact OE1-NH2 2.88Å; E133-R249 PolarHBondContact OE1-NH2 3.41Å; E133-R249 IonicContact OE2-CZ 3.83Å; E133-R249 IonicContact OE2-NH1 3.43Å; E133-R249 PolarHBondContact OE2-NH1 3.11Å; E133-R249 IonicContact OE2-NH2 2.82Å; E133-R249 PolarHBondContact OE2-NH2 3.24Å
134S86.9Confident90.5Very high49 Ų4917.8 Ų17.834%0.34312%0.116SC..THydrogen-bonded Turntrans-61.9148.5169.6-1630000111.8L136 D195S134-L136 VanDerWaalsContact C-N 3.27Å; S134-L136 PolarHBondContact O-N 3.35Å; S134-D195 WeakPolarHBondContact CB-OD1 3.43Å; S134-D195 WeakPolarHBondContact CB-OD2 3.45Å; S134-D195 PolarHBondContact OG-OD2 2.55Å
135G87.2Confident90.3Very high54 Ų5415.4 Ų15.456%0.55711%0.106SC*.THydrogen-bonded Turntrans73.35.517900000116.3G137 K271G135-G137 VanDerWaalsContact C-N 3.29Å; G135-G137 PolarHBondContact O-N 3.19Å; G135-K271 WeakPolarHBondContact O-CE 3.44Å; G135-K271 PolarHBondContact O-NZ 2.87Å
136L90.6Very high89.9Confident9 Ų914.4 Ų14.45%0.04710%0.1CC..SBendtrans-78.6-6.4174.3-65.9-175.6000114.6E133 S134 F240 A270E133-L136 HydrophobicContact CB-CD1 3.75Å; E133-L136 HydrophobicContact CB-CG 3.92Å; E133-L136 HydrophobicContact CG-CD1 4.26Å; S134-L136 VanDerWaalsContact C-N 3.27Å; S134-L136 PolarHBondContact O-N 3.35Å; L136-F240 HydrophobicContact CB-CB 4.31Å; L136-F240 HydrophobicContact CB-CD1 4.4Å; L136-F240 HydrophobicContact CD1-CB 3.78Å; L136-F240 VanDerWaalsContact CD1-O 3.25Å; L136-F240 WeakPolarHBondContact CD1-O 3.38Å; L136-A270 HydrophobicContact CB-CB 3.85Å; L136-A270 HydrophobicContact CD1-CB 4.39Å; L136-A270 HydrophobicContact CD2-CB 4.24Å; L136-A270 HydrophobicContact CG-CB 4.39Å
137G89.6Confident89Confident26 Ų2619.4 Ų19.427%0.26813%0.126SC..SBendtrans89.523.5-179.700000114.5G135 T140 L141G135-G137 VanDerWaalsContact C-N 3.29Å; G135-G137 PolarHBondContact O-N 3.19Å; G137-T140 WeakPolarHBondContact O-CB 3.43Å; G137-T140 PolarHBondContact O-N 3.39Å; G137-L141 PolarHBondContact O-N 2.88Å
138K90Very high87.9Confident15 Ų1521.4 Ų21.47%0.06514%0.138CC..Hα-helixtrans-50.9-62.6178.1-60-167.5-57.3-92.40113.4V130 G132 E133 T140 L141 V142 F240V130-K138 HydrophobicContact CG1-CB 3.67Å; V130-K138 HydrophobicContact CG1-CD 3.91Å; V130-K138 HydrophobicContact CG1-CG 4.07Å; G132-K138 WeakPolarHBondContact O-CE 3.47Å; G132-K138 PolarHBondContact O-NZ 3.02Å; E133-K138 PolarHBondContact O-NZ 3Å; K138-T140 VanDerWaalsContact C-N 3.28Å; K138-T140 PolarHBondContact O-N 3.48Å; K138-L141 PolarHBondContact O-N 3.41Å; K138-L141 VanDerWaalsContact O-N 3.12Å; K138-V142 WeakPolarHBondContact O-CG2 3.41Å; K138-V142 PolarHBondContact O-N 3.23Å; K138-F240 HydrophobicContact CB-CE1 4.48Å; K138-F240 HydrophobicContact CB-CE2 4.36Å; K138-F240 HydrophobicContact CB-CZ 4.27Å; K138-F240 HydrophobicContact CD-CB 4.49Å; K138-F240 HydrophobicContact CD-CD2 4.2Å; K138-F240 HydrophobicContact CD-CG 4.33Å; K138-F240 HydrophobicContact CG-CB 4.26Å; K138-F240 HydrophobicContact CG-CD1 3.96Å; K138-F240 HydrophobicContact CG-CD2 3.85Å; K138-F240 HydrophobicContact CG-CE1 4.19Å; K138-F240 HydrophobicContact CG-CE2 4.1Å; K138-F240 HydrophobicContact CG-CG 3.76Å; K138-F240 HydrophobicContact CG-CZ 4.24Å
139S88Confident86.7Confident18 Ų1825.2 Ų25.213%0.12616%0.159CC..Hα-helixtrans-62.1-35.8179.7-47.50000112.3V142 N143 R154S139-V142 PolarHBondContact O-N 3.29Å; S139-N143 WeakPolarHBondContact O-CB 3.47Å; S139-N143 PolarHBondContact O-N 3.06Å; S139-R154 PolarHBondContact OG-NH1 3.31Å
140T89.4Confident85.3Confident35 Ų3526.6 Ų26.622%0.21517%0.166CC..Hα-helixtrans-62.8-42.2174.4-57.60000111.6G137 K138 S144 N331G137-T140 WeakPolarHBondContact O-CB 3.43Å; G137-T140 PolarHBondContact O-N 3.39Å; K138-T140 VanDerWaalsContact C-N 3.28Å; K138-T140 PolarHBondContact O-N 3.48Å; T140-S144 WeakPolarHBondContact O-CB 3.47Å; T140-S144 PolarHBondContact O-N 3.48Å; T140-S144 PolarHBondContact O-OG 2.97Å; T140-N331 WeakPolarHBondContact CG2-OD1 3.19Å
141L90.8Very high84Confident3 Ų327.6 Ų27.62%0.01617%0.17CC..Hα-helixtrans-66.2-43.8177.7-172.372.9000111G137 K138 S144 L145 F240 I268 V327 F361 L364G137-L141 PolarHBondContact O-N 2.88Å; K138-L141 PolarHBondContact O-N 3.41Å; K138-L141 VanDerWaalsContact O-N 3.12Å; L141-S144 CarbonylContact O-C 3.06Å; L141-S144 WeakPolarHBondContact O-CA 3.31Å; L141-S144 VanDerWaalsContact O-CB 3.32Å; L141-S144 WeakPolarHBondContact O-CB 3.31Å; L141-S144 PolarHBondContact O-N 3.39Å; L141-L145 WeakPolarHBondContact O-CB 3.24Å; L141-L145 PolarHBondContact O-N 3.37Å; L141-F240 HydrophobicContact CB-CE1 4.1Å; L141-F240 HydrophobicContact CB-CZ 3.94Å; L141-F240 HydrophobicContact CD2-CE1 3.67Å; L141-F240 HydrophobicContact CD2-CE2 4.37Å; L141-F240 HydrophobicContact CD2-CZ 3.33Å; L141-F240 HydrophobicContact CG-CZ 4.24Å; L141-I268 HydrophobicContact CD2-CD1 3.92Å; L141-V327 HydrophobicContact CD1-CB 4.11Å; L141-V327 HydrophobicContact CD1-CG2 3.78Å; L141-V327 HydrophobicContact CD2-CG2 3.88Å; L141-V327 HydrophobicContact CG-CG2 4.48Å; L141-F361 HydrophobicContact CD1-CD2 3.65Å; L141-F361 HydrophobicContact CD1-CE2 3.76Å; L141-L364 HydrophobicContact CD2-CD2 3.92Å
142V90.2Very high82.4Confident1 Ų136.8 Ų36.81%0.00620%0.204CC..Hα-helixtrans-63.1-45.7180178.60000111.3V130 K138 S139 S144 L145 F146 L150 I187V130-V142 HydrophobicContact CG2-CG2 3.73Å; K138-V142 WeakPolarHBondContact O-CG2 3.41Å; K138-V142 PolarHBondContact O-N 3.23Å; S139-V142 PolarHBondContact O-N 3.29Å; V142-S144 PolarHBondContact O-N 2.99Å; V142-L145 PolarHBondContact O-N 2.95Å; V142-F146 HydrophobicContact CG1-CD2 4.22Å; V142-F146 PolarHBondContact O-N 3.15Å; V142-L150 HydrophobicContact CG1-CD1 3.77Å; V142-I187 HydrophobicContact CG1-CD1 3.37Å; V142-I187 HydrophobicContact CG1-CG1 4.05Å; V142-I187 HydrophobicContact CG1-CG2 4.29Å
143N86.7Confident80.9Confident13 Ų1344.3 Ų44.37%0.0724%0.244CC..Hα-helixtrans-59.6-34.7172.5-75.3-4.5000111.9S139 L147 T148 L150 Y151S139-N143 WeakPolarHBondContact O-CB 3.47Å; S139-N143 PolarHBondContact O-N 3.06Å; N143-L147 WeakPolarHBondContact O-CA 3.44Å; N143-L147 PolarHBondContact O-N 3.32Å; N143-T148 VanDerWaalsContact CA-O 3.3Å; N143-T148 WeakPolarHBondContact CA-O 3.46Å; N143-T148 WeakPolarHBondContact CB-O 3.3Å; N143-T148 PolarHBondContact O-N 3.14Å; N143-T148 PolarHBondContact OD1-O 3.43Å; N143-T148 VanDerWaalsContact OD1-O 3.13Å; N143-L150 WeakPolarHBondContact OD1-CB 3.46Å; N143-L150 PolarHBondContact OD1-N 2.66Å; N143-Y151 VanDerWaalsContact OD1-CD2 3.23Å; N143-Y151 WeakPolarHBondContact OD1-CD2 3.25Å
144S86.7Confident79.6Confident2 Ų248 Ų481%0.01426%0.256CS..Hα-helixtrans-69.4-43.1177.3-61.70000112T140 L141 V142 S330 R342T140-S144 WeakPolarHBondContact O-CB 3.47Å; T140-S144 PolarHBondContact O-N 3.48Å; T140-S144 PolarHBondContact O-OG 2.97Å; L141-S144 CarbonylContact O-C 3.06Å; L141-S144 WeakPolarHBondContact O-CA 3.31Å; L141-S144 VanDerWaalsContact O-CB 3.32Å; L141-S144 WeakPolarHBondContact O-CB 3.31Å; L141-S144 PolarHBondContact O-N 3.39Å; V142-S144 PolarHBondContact O-N 2.99Å; S144-S330 PolarHBondContact OG-O 2.93Å; S144-R342 VanDerWaalsContact CA-NH1 3.34Å; S144-R342 PolarHBondContact O-NH1 3.2Å; S144-R342 VanDerWaalsContact O-NH1 3.08Å
145L86.5Confident78.2Confident9 Ų954.1 Ų54.15%0.04728%0.277CS..Hα-helixtrans-65.8-46-174.8-176.864.9000112.5L128 L141 V142 R365 L368L128-L145 HydrophobicContact CD2-CD2 4.5Å; L141-L145 WeakPolarHBondContact O-CB 3.24Å; L141-L145 PolarHBondContact O-N 3.37Å; V142-L145 PolarHBondContact O-N 2.95Å; L145-R365 HydrophobicContact CD1-CB 3.68Å; L145-R365 HydrophobicContact CD1-CG 3.81Å; L145-L368 HydrophobicContact CD1-CD1 4.48Å; L145-L368 HydrophobicContact CD2-CD1 3.58Å
146F84.2Confident76.8Confident24 Ų2458.2 Ų58.211%0.10529%0.285CS..THydrogen-bonded Turntrans-102.410.5-176-62.5-73.1000114L128 V142 T148 I176 L185 V369L128-F146 HydrophobicContact CD2-CE2 3.86Å; L128-F146 HydrophobicContact CD2-CZ 4.25Å; V142-F146 HydrophobicContact CG1-CD2 4.22Å; V142-F146 PolarHBondContact O-N 3.15Å; F146-T148 PolarHBondContact O-N 3.44Å; F146-T148 PolarHBondContact O-OG1 2.91Å; F146-I176 HydrophobicContact CB-CD1 3.99Å; F146-I176 HydrophobicContact CD1-CD1 3.88Å; F146-I176 HydrophobicContact CG-CD1 4.21Å; F146-L185 HydrophobicContact CB-CD2 4.18Å; F146-L185 HydrophobicContact CD1-CD2 3.57Å; F146-L185 HydrophobicContact CD2-CD2 3.39Å; F146-L185 HydrophobicContact CE1-CD1 3.95Å; F146-L185 HydrophobicContact CE1-CD2 3.67Å; F146-L185 HydrophobicContact CE1-CG 4.44Å; F146-L185 HydrophobicContact CE2-CD1 4Å; F146-L185 HydrophobicContact CE2-CD2 3.48Å; F146-L185 VanDerWaalsContact CE2-CD2 3.48Å; F146-L185 HydrophobicContact CE2-CG 4.37Å; F146-L185 HydrophobicContact CG-CD2 3.42Å; F146-L185 VanDerWaalsContact CG-CD2 3.42Å; F146-L185 HydrophobicContact CZ-CD1 3.57Å; F146-L185 HydrophobicContact CZ-CD2 3.62Å; F146-L185 HydrophobicContact CZ-CG 4.26Å; F146-V369 HydrophobicContact CE1-CG2 4.17Å
147L75.4Confident75.4Confident108 Ų10860.4 Ų60.457%0.56530%0.297SS*.  trans51.215.1-177.7-53.4179.5000115N143N143-L147 WeakPolarHBondContact O-CA 3.44Å; N143-L147 PolarHBondContact O-N 3.32Å
148T71.6Confident73.8Confident44 Ų4461.2 Ų61.227%0.2731%0.305SS..  trans-106.3137.9-173.5-54.30000109.4N143 F146 L150 V174N143-T148 VanDerWaalsContact CA-O 3.3Å; N143-T148 WeakPolarHBondContact CA-O 3.46Å; N143-T148 WeakPolarHBondContact CB-O 3.3Å; N143-T148 PolarHBondContact O-N 3.14Å; N143-T148 PolarHBondContact OD1-O 3.43Å; N143-T148 VanDerWaalsContact OD1-O 3.13Å; F146-T148 PolarHBondContact O-N 3.44Å; F146-T148 PolarHBondContact O-OG1 2.91Å; T148-L150 VanDerWaalsContact C-N 3.34Å; T148-L150 HydrophobicContact CG2-CD2 3.43Å; T148-L150 VanDerWaalsContact CG2-CD2 3.43Å; T148-L150 HydrophobicContact CG2-CG 3.99Å; T148-L150 PolarHBondContact O-N 3.43Å; T148-V174 HydrophobicContact CG2-CG1 4.23Å
149D69.2Low72.4Confident80 Ų8064.2 Ų64.243%0.42833%0.333SS..  trans-90.773.7177.3-157.2-10.7000110.4Y151 R152D149-Y151 PolarHBondContact O-N 3.4Å; D149-R152 HydrophobicContact CB-CG 3.83Å; D149-R152 VanDerWaalsContact CG-NE 3.31Å; D149-R152 WeakPolarHBondContact OD1-CG 3.49Å; D149-R152 VanDerWaalsContact OD2-CG 3.26Å; D149-R152 WeakPolarHBondContact OD2-CG 3.37Å; D149-R152 IonicContact OD2-CZ 3.26Å; D149-R152 IonicContact OD2-NE 3.7Å; D149-R152 PolarHBondContact OD2-NE 3.47Å; D149-R152 IonicContact OD2-NH2 3.98Å; D149-R152 PolarHBondContact OD2-NH2 2.85Å
150L64.2Low71.2Confident28 Ų2871.2 Ų71.215%0.14736%0.363CS..THydrogen-bonded Turntrans-69.7-21-171-59173.3000113.7V142 N143 T148 V174 I187V142-L150 HydrophobicContact CG1-CD1 3.77Å; N143-L150 WeakPolarHBondContact OD1-CB 3.46Å; N143-L150 PolarHBondContact OD1-N 2.66Å; T148-L150 VanDerWaalsContact C-N 3.34Å; T148-L150 HydrophobicContact CG2-CD2 3.43Å; T148-L150 VanDerWaalsContact CG2-CD2 3.43Å; T148-L150 HydrophobicContact CG2-CG 3.99Å; T148-L150 PolarHBondContact O-N 3.43Å; L150-V174 HydrophobicContact CD2-CB 4Å; L150-V174 HydrophobicContact CD2-CG1 4.35Å; L150-V174 HydrophobicContact CD2-CG2 3.14Å; L150-I187 HydrophobicContact CD1-CD1 3.1Å; L150-I187 HydrophobicContact CG-CD1 4.48Å
151Y67Low69.9Low23 Ų2374.7 Ų74.79%0.0938%0.377CS..THydrogen-bonded Turntrans-115.221.4-168.3-59.8-77.6000112.8N143 D149 D153 R154 H172N143-Y151 VanDerWaalsContact OD1-CD2 3.23Å; N143-Y151 WeakPolarHBondContact OD1-CD2 3.25Å; D149-Y151 PolarHBondContact O-N 3.4Å; Y151-D153 VanDerWaalsContact C-N 3.26Å; Y151-D153 PolarHBondContact O-N 3.45Å; Y151-R154 VanDerWaalsContact O-CB 3.22Å; Y151-R154 WeakPolarHBondContact O-CB 3.26Å; Y151-R154 PolarHBondContact O-N 2.93Å; Y151-H172 AromaticContact CE1-CD2 3.84Å; Y151-H172 AromaticContact CE1-NE2 3.71Å
152R59.1Low68.6Low193 Ų19380 Ų8073%0.72840%0.397SS*.THydrogen-bonded Turntrans-54.1-42.4178.3-74.3-162.1169.4-179.73.8113.2D149 R154D149-R152 HydrophobicContact CB-CG 3.83Å; D149-R152 VanDerWaalsContact CG-NE 3.31Å; D149-R152 WeakPolarHBondContact OD1-CG 3.49Å; D149-R152 VanDerWaalsContact OD2-CG 3.26Å; D149-R152 WeakPolarHBondContact OD2-CG 3.37Å; D149-R152 IonicContact OD2-CZ 3.26Å; D149-R152 IonicContact OD2-NE 3.7Å; D149-R152 PolarHBondContact OD2-NE 3.47Å; D149-R152 IonicContact OD2-NH2 3.98Å; D149-R152 PolarHBondContact OD2-NH2 2.85Å; R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 3.24Å
153D57.9Low67.1Low157 Ų15786.9 Ų86.984%0.8443%0.432SS*.THydrogen-bonded Turntrans-86.64.3-177.8-60.1-33000113.1Y151 K155Y151-D153 VanDerWaalsContact C-N 3.26Å; Y151-D153 PolarHBondContact O-N 3.45Å; D153-K155 PolarHBondContact O-N 3.41Å
154R61.1Low65.5Low116 Ų11694.1 Ų94.144%0.43847%0.468SS..  trans-71.398.5180-169.1-177.5-175.6-177.38.8109.4S139 Y151 R152 L156S139-R154 PolarHBondContact OG-NH1 3.31Å; Y151-R154 VanDerWaalsContact O-CB 3.22Å; Y151-R154 WeakPolarHBondContact O-CB 3.26Å; Y151-R154 PolarHBondContact O-N 2.93Å; R152-R154 VanDerWaalsContact C-N 3.26Å; R152-R154 PolarHBondContact O-N 3.24Å; R154-L156 PolarHBondContact O-N 2.73Å
155K56.1Low63.9Low178 Ų17898.1 Ų98.177%0.77449%0.486SS*.  trans-60.9117.9164.7-66.7-178.7-178177.50108.2D153 L157D153-K155 PolarHBondContact O-N 3.41Å; K155-L157 VanDerWaalsContact C-N 3.34Å; K155-L157 HydrophobicContact CB-CD2 4.43Å; K155-L157 PolarHBondContact O-N 2.92Å
156L59Low62.7Low140 Ų140103 Ų10373%0.73352%0.517SS*.  trans-66.5100.8165.8-70.5173.9000106.9R154R154-L156 PolarHBondContact O-N 2.73Å
157L60.5Low61.8Low55 Ų55103.9 Ų103.929%0.28852%0.524SS..  trans-60.8144.9176.5-58.1-179.8000109.9K155 E161 R162K155-L157 VanDerWaalsContact C-N 3.34Å; K155-L157 HydrophobicContact CB-CD2 4.43Å; K155-L157 PolarHBondContact O-N 2.92Å; L157-E161 WeakPolarHBondContact CA-OE2 3.4Å; L157-E161 HydrophobicContact CB-CB 3.94Å; L157-E161 VanDerWaalsContact CB-OE2 3.29Å; L157-E161 WeakPolarHBondContact CB-OE2 3.5Å; L157-E161 HydrophobicContact CD1-CB 4.49Å; L157-E161 VanDerWaalsContact CD2-OE2 3.3Å; L157-E161 WeakPolarHBondContact CD2-OE2 3.35Å; L157-R162 HydrophobicContact CB-CG 4.5Å; L157-R162 PolarHBondContact O-NE 3.49Å; L157-R162 PolarHBondContact O-NH2 2.96Å
158G56.4Low61.6Low43 Ų43105 Ų10544%0.44353%0.526SS..  trans-61.8164.3178.200000111.8E160 E161 R162G158-E160 PolarHBondContact O-N 3.26Å; G158-E161 PolarHBondContact N-OE2 3.3Å; G158-E161 PolarHBondContact O-N 2.96Å; G158-R162 WeakPolarHBondContact O-CG 3.42Å; G158-R162 PolarHBondContact O-N 3.02Å; G158-R162 VanDerWaalsContact O-N 3.15Å
159A61.2Low62.3Low78 Ų78104.4 Ų104.465%0.64552%0.521SS*.Hα-helixtrans-56.6-37.1-179.500000112.5R162 I163A159-R162 PolarHBondContact O-N 3.48Å; A159-I163 WeakPolarHBondContact O-CG1 3.37Å; A159-I163 PolarHBondContact O-N 2.92Å
160E61.2Low63Low165 Ų165102.8 Ų102.877%0.77151%0.514SS*.Hα-helixtrans-64.5-46179.6-62.5-179.2176.300112.7G158 R162 I163G158-E160 PolarHBondContact O-N 3.26Å; E160-R162 VanDerWaalsContact C-N 3.3Å; E160-R162 PolarHBondContact O-N 3.27Å; E160-I163 PolarHBondContact O-N 3.43Å
161E63.8Low64.2Low109 Ų109106.5 Ų106.551%0.50953%0.529SS..Hα-helixtrans-65.6-34.5177.7-69.5172.916000111.4L157 G158 I163 M164 Q165L157-E161 WeakPolarHBondContact CA-OE2 3.4Å; L157-E161 HydrophobicContact CB-CB 3.94Å; L157-E161 VanDerWaalsContact CB-OE2 3.29Å; L157-E161 WeakPolarHBondContact CB-OE2 3.5Å; L157-E161 HydrophobicContact CD1-CB 4.49Å; L157-E161 VanDerWaalsContact CD2-OE2 3.3Å; L157-E161 WeakPolarHBondContact CD2-OE2 3.35Å; G158-E161 PolarHBondContact N-OE2 3.3Å; G158-E161 PolarHBondContact O-N 2.96Å; E161-I163 VanDerWaalsContact C-N 3.31Å; E161-I163 PolarHBondContact O-N 3.29Å; E161-M164 PolarHBondContact O-N 3.11Å; E161-Q165 WeakPolarHBondContact O-CG 3.27Å; E161-Q165 PolarHBondContact O-N 3.02Å
162R62Low65.2Low115 Ų115108.3 Ų108.343%0.43454%0.538SS..Hα-helixtrans-65.2-31.3175.6-68.3179-167.2-156.42.1113.2L157 G158 A159 E160 M164L157-R162 HydrophobicContact CB-CG 4.5Å; L157-R162 PolarHBondContact O-NE 3.49Å; L157-R162 PolarHBondContact O-NH2 2.96Å; G158-R162 WeakPolarHBondContact O-CG 3.42Å; G158-R162 PolarHBondContact O-N 3.02Å; G158-R162 VanDerWaalsContact O-N 3.15Å; A159-R162 PolarHBondContact O-N 3.48Å; E160-R162 VanDerWaalsContact C-N 3.3Å; E160-R162 PolarHBondContact O-N 3.27Å; R162-M164 VanDerWaalsContact C-N 3.31Å
163I58.5Low66.6Low144 Ų144102.5 Ų102.574%0.73853%0.532SS*.Hα-helixtrans-68-35.3179-65.8161.9000110.7A159 E160 E161A159-I163 WeakPolarHBondContact O-CG1 3.37Å; A159-I163 PolarHBondContact O-N 2.92Å; E160-I163 PolarHBondContact O-N 3.43Å; E161-I163 VanDerWaalsContact C-N 3.31Å; E161-I163 PolarHBondContact O-N 3.29Å
164M53.5Low68Low165 Ų16596.7 Ų96.781%0.81350%0.502SS*.Hα-helixtrans-86-14.3-178.8-68.2-170.46900114.1E161 R162 T166E161-M164 PolarHBondContact O-N 3.11Å; R162-M164 VanDerWaalsContact C-N 3.31Å; M164-T166 PolarHBondContact O-N 2.85Å
165Q53.9Low69.4Low86 Ų8695.2 Ų95.240%0.40250%0.503SS..  trans-66.9103.6177.7-79.6-170.5-43.300109.8E161E161-Q165 WeakPolarHBondContact O-CG 3.27Å; E161-Q165 PolarHBondContact O-N 3.02Å
166T60.4Low70.9Confident113 Ų11388.1 Ų88.169%0.69347%0.473SS*.  trans-51151.6151.550.90000108.6M164 E168M164-T166 PolarHBondContact O-N 2.85Å; T166-E168 PolarHBondContact O-N 2.87Å
167V65.8Low72.2Confident41 Ų4187.8 Ų87.825%0.24847%0.467CS..  trans-64.178.1175.3-1740000109.1P205V167-P205 HydrophobicContact CB-CB 4.48Å; V167-P205 HydrophobicContact CB-CG 4.46Å
168E71.9Confident73.4Confident131 Ų13191.3 Ų91.361%0.61248%0.482SS*.  trans-81.5119.5175-172.5-178.9179.700107.6T166 T170 P191T166-E168 PolarHBondContact O-N 2.87Å; E168-T170 PolarHBondContact O-N 3.06Å; E168-P191 VanDerWaalsContact O-CD 3.25Å; E168-P191 WeakPolarHBondContact O-CD 3.16Å; E168-P191 WeakPolarHBondContact O-CG 3.29Å
169I85Confident74.8Confident33 Ų3399.8 Ų99.817%0.16951%0.507CS..  trans-80.8113.2-176.9-65.6169.6000108.6V188 T190 P205 Y209I169-V188 HydrophobicContact CG2-CG1 3.29Å; I169-T190 HydrophobicContact CG1-CG2 4.49Å; I169-P205 WeakPolarHBondContact CD1-O 3.39Å; I169-Y209 HydrophobicContact CB-CD2 4.37Å; I169-Y209 HydrophobicContact CD1-CD1 4.26Å; I169-Y209 HydrophobicContact CD1-CD2 3.97Å; I169-Y209 HydrophobicContact CD1-CG 3.58Å; I169-Y209 HydrophobicContact CG2-CD1 4.35Å; I169-Y209 HydrophobicContact CG2-CD2 3.98Å; I169-Y209 HydrophobicContact CG2-CE1 4.34Å; I169-Y209 HydrophobicContact CG2-CE2 3.95Å; I169-Y209 HydrophobicContact CG2-CG 4.19Å
170T85.3Confident75.9Confident45 Ų4598.2 Ų98.228%0.27650%0.498SS..EExtended strand (participates in β ladder)trans-95.7129.1-178.854.40000110.6E168 D189 P191E168-T170 PolarHBondContact O-N 3.06Å; T170-D189 PolarHBondContact N-O 3.5Å; T170-D189 PolarHBondContact O-N 2.94Å; T170-P191 HydrophobicContact CG2-CG 4.35Å
171K88.3Confident77.2Confident106 Ų10693 Ų9346%0.46148%0.477SS..EExtended strand (participates in β ladder)trans-101.5129.1176-52.3-171-162.9-155.50110.7I187 Y209 Q213K171-I187 CarbonylContact C-O 3.51Å; K171-I187 WeakPolarHBondContact CA-O 3.29Å; K171-Y209 WeakPolarHBondContact CD-OH 3.47Å; K171-Y209 VanDerWaalsContact CE-CE2 3.42Å; K171-Y209 WeakPolarHBondContact CE-OH 3.34Å; K171-Y209 PolarHBondContact NZ-OH 3.4Å; K171-Q213 VanDerWaalsContact NZ-OE1 3.09Å
172H88Confident78.5Confident61 Ų6194.5 Ų94.528%0.28248%0.478SS..EExtended strand (participates in β ladder)trans-118.8113172.4-63.8-78.3000109Y151 T186 I187Y151-H172 AromaticContact CE1-CD2 3.84Å; Y151-H172 AromaticContact CE1-NE2 3.71Å; H172-T186 CarbonylContact O-C 3.58Å; H172-I187 HydrophobicContact CB-CB 4.44Å; H172-I187 PolarHBondContact N-O 2.82Å; H172-I187 PolarHBondContact O-N 2.92Å
173A88.6Confident79.8Confident72 Ų7290.2 Ų90.260%0.59546%0.464SS*.EExtended strand (participates in β ladder)trans-101.9130.2176.800000110.2L185A173-L185 CarbonylContact C-O 3.59Å; A173-L185 WeakPolarHBondContact CA-O 3.44Å
174V88.1Confident81.4Confident35 Ų3588.8 Ų88.821%0.21245%0.449CS..EExtended strand (participates in β ladder)trans-132.9131.41761730000110T148 L150 I176 L185T148-V174 HydrophobicContact CG2-CG1 4.23Å; L150-V174 HydrophobicContact CD2-CB 4Å; L150-V174 HydrophobicContact CD2-CG1 4.35Å; L150-V174 HydrophobicContact CD2-CG2 3.14Å; V174-I176 HydrophobicContact CG1-CG1 3.88Å; V174-L185 PolarHBondContact N-O 2.95Å; V174-L185 PolarHBondContact O-N 2.92Å
175D89.2Confident83.2Confident85 Ų8581 Ų8146%0.45541%0.411SS..EExtended strand (participates in β ladder)trans-92.1113.4171.9-71.4-19.9000107.9R184D175-R184 WeakPolarHBondContact OD1-CB 3.34Å; D175-R184 WeakPolarHBondContact OD1-CG 3.16Å; D175-R184 IonicContact OD1-CZ 3.09Å; D175-R184 IonicContact OD1-NE 3.19Å; D175-R184 PolarHBondContact OD1-NE 3.27Å; D175-R184 IonicContact OD1-NH2 2.67Å; D175-R184 IonicContact OD2-NE 3.88Å; D175-R184 IonicContact OD2-NH2 3.43Å; D175-R184 PolarHBondContact OD2-NH2 3.42Å
176I88.2Confident85.1Confident28 Ų2877.8 Ų77.814%0.14440%0.397CS..EExtended strand (participates in β ladder)trans-102.3137.7177.2-55.5174.6000107.9F146 V174 E178 L183 L185F146-I176 HydrophobicContact CB-CD1 3.99Å; F146-I176 HydrophobicContact CD1-CD1 3.88Å; F146-I176 HydrophobicContact CG-CD1 4.21Å; V174-I176 HydrophobicContact CG1-CG1 3.88Å; I176-E178 HydrophobicContact CG2-CG 4.31Å; I176-L183 PolarHBondContact N-O 2.83Å; I176-L183 PolarHBondContact O-N 3.42Å; I176-L185 HydrophobicContact CD1-CB 4.26Å; I176-L185 HydrophobicContact CD1-CD2 3.89Å
177E87.1Confident86.6Confident134 Ų13472.4 Ų72.463%0.62636%0.364SS*.EExtended strand (participates in β ladder)trans-123.8122.4175.3-172.3178159.600110.4V181 R182E177-V181 WeakPolarHBondContact CA-O 3.38Å; E177-R182 HydrophobicContact CG-CG 4.14Å
178E84.7Confident87.8Confident129 Ų12970.5 Ų70.560%0.60335%0.352SS*.EExtended strand (participates in β ladder)trans-126.9122.3176.7-68.4-169.417700110.1I176 G180 V181I176-E178 HydrophobicContact CG2-CG 4.31Å; E178-G180 PolarHBondContact O-N 2.83Å; E178-V181 PolarHBondContact N-O 3.39Å; E178-V181 WeakPolarHBondContact O-CB 3.34Å; E178-V181 PolarHBondContact O-N 3.37Å
179K86.3Confident88.6Confident221 Ų22164.3 Ų64.396%0.96132%0.324SS*.THydrogen-bonded Turntrans48.235.9177.4-59.8-177.1178.2-178.50113.9
180G84.6Confident88.6Confident44 Ų4462.8 Ų62.845%0.45432%0.316SS..THydrogen-bonded Turntrans84.20.9-179.100000115.5E178E178-G180 PolarHBondContact O-N 2.83Å
181V88.4Confident88.4Confident55 Ų5561.6 Ų61.633%0.33331%0.309SS..EExtended strand (participates in β ladder)trans-93.3124.8171.6-179.60000109.2F124 E177 E178F124-V181 HydrophobicContact CD2-CG1 3.55Å; F124-V181 HydrophobicContact CE2-CG1 3.6Å; E177-V181 WeakPolarHBondContact CA-O 3.38Å; E178-V181 PolarHBondContact N-O 3.39Å; E178-V181 WeakPolarHBondContact O-CB 3.34Å; E178-V181 PolarHBondContact O-N 3.37Å
182R90.2Very high87.6Confident141 Ų14157.7 Ų57.753%0.53230%0.299SS..EExtended strand (participates in β ladder)trans-96.9123.8177.4-63.7179.166.8-165.50.6110.6G123 F124 E177G123-R182 WeakPolarHBondContact CA-O 3.49Å; F124-R182 PolarHBondContact N-O 3.26Å; E177-R182 HydrophobicContact CG-CG 4.14Å
183L90.5Very high87.1Confident25 Ų2554.8 Ų54.813%0.13129%0.285CS..EExtended strand (participates in β ladder)trans-115.9118.5174.7176.867000109.6F124 F126 I176 L185 M373F124-L183 HydrophobicContact CB-CD1 3.75Å; F124-L183 CarbonylContact O-C 3.58Å; F124-L183 WeakPolarHBondContact O-CA 3.43Å; F126-L183 HydrophobicContact CB-CD1 4.04Å; I176-L183 PolarHBondContact N-O 2.83Å; I176-L183 PolarHBondContact O-N 3.42Å; L183-L185 PolarHBondContact O-N 3.37Å; L183-M373 HydrophobicContact CD1-CE 4.44Å; L183-M373 HydrophobicContact CD1-SD 4.1Å; L183-M373 HydrophobicContact CD2-SD 4.42Å
184R91.8Very high86.5Confident115 Ų11551.9 Ų51.943%0.43426%0.263SS..EExtended strand (participates in β ladder)trans-86.5103.9167.1178.2163.8-66.1178.81.2109.4F124 D125 F126 D175F124-R184 PolarHBondContact O-N 3.48Å; D125-R184 CarbonylContact C-O 3.6Å; D125-R184 WeakPolarHBondContact CA-O 3.42Å; F126-R184 PolarHBondContact N-O 2.94Å; D175-R184 WeakPolarHBondContact OD1-CB 3.34Å; D175-R184 WeakPolarHBondContact OD1-CG 3.16Å; D175-R184 IonicContact OD1-CZ 3.09Å; D175-R184 IonicContact OD1-NE 3.19Å; D175-R184 PolarHBondContact OD1-NE 3.27Å; D175-R184 IonicContact OD1-NH2 2.67Å; D175-R184 IonicContact OD2-NE 3.88Å; D175-R184 IonicContact OD2-NH2 3.43Å; D175-R184 PolarHBondContact OD2-NH2 3.42Å
185L91.3Very high85.9Confident1 Ų154.1 Ų54.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-94.7121.2176.6178.870.6000109.9F126 L128 F146 A173 V174 I176 L183 I187F126-L185 HydrophobicContact CB-CD1 4.45Å; F126-L185 HydrophobicContact CD1-CD1 3.82Å; F126-L185 CarbonylContact O-C 3.54Å; F126-L185 WeakPolarHBondContact O-CA 3.45Å; F126-L185 WeakPolarHBondContact O-CD1 3.4Å; L128-L185 HydrophobicContact CB-CD1 4.48Å; F146-L185 HydrophobicContact CB-CD2 4.18Å; F146-L185 HydrophobicContact CD1-CD2 3.57Å; F146-L185 HydrophobicContact CD2-CD2 3.39Å; F146-L185 HydrophobicContact CE1-CD1 3.95Å; F146-L185 HydrophobicContact CE1-CD2 3.67Å; F146-L185 HydrophobicContact CE1-CG 4.44Å; F146-L185 HydrophobicContact CE2-CD1 4Å; F146-L185 HydrophobicContact CE2-CD2 3.48Å; F146-L185 VanDerWaalsContact CE2-CD2 3.48Å; F146-L185 HydrophobicContact CE2-CG 4.37Å; F146-L185 HydrophobicContact CG-CD2 3.42Å; F146-L185 VanDerWaalsContact CG-CD2 3.42Å; F146-L185 HydrophobicContact CZ-CD1 3.57Å; F146-L185 HydrophobicContact CZ-CD2 3.62Å; F146-L185 HydrophobicContact CZ-CG 4.26Å; A173-L185 CarbonylContact C-O 3.59Å; A173-L185 WeakPolarHBondContact CA-O 3.44Å; V174-L185 PolarHBondContact N-O 2.95Å; V174-L185 PolarHBondContact O-N 2.92Å; I176-L185 HydrophobicContact CD1-CB 4.26Å; I176-L185 HydrophobicContact CD1-CD2 3.89Å; L183-L185 PolarHBondContact O-N 3.37Å; L185-I187 HydrophobicContact CD1-CG1 4.49Å; L185-I187 HydrophobicContact CD2-CD1 3.7Å; L185-I187 HydrophobicContact CD2-CG1 4.13Å; L185-I187 HydrophobicContact CG-CD1 4.11Å; L185-I187 HydrophobicContact CG-CG1 4.05Å
186T92.5Very high85.2Confident19 Ų1952.7 Ų52.712%0.11727%0.273CS..EExtended strand (participates in β ladder)trans-109.3114.1173.1-57.60000109.2F126 T127 L128 H172F126-T186 PolarHBondContact O-N 2.89Å; T127-T186 CarbonylContact C-O 3.58Å; T127-T186 VanDerWaalsContact CA-O 3.23Å; T127-T186 WeakPolarHBondContact CA-O 2.95Å; T127-T186 HydrophobicContact CG2-CG2 4.21Å; L128-T186 PolarHBondContact N-O 3.43Å; H172-T186 CarbonylContact O-C 3.58Å
187I92.1Very high84.6Confident0 Ų059 Ų590%031%0.313CS..EExtended strand (participates in β ladder)trans-98.2123.1176.9-68151.8000109.2L128 V142 L150 K171 H172 L185L128-I187 CarbonylContact O-C 3.48Å; L128-I187 WeakPolarHBondContact O-CA 3.45Å; V142-I187 HydrophobicContact CG1-CD1 3.37Å; V142-I187 HydrophobicContact CG1-CG1 4.05Å; V142-I187 HydrophobicContact CG1-CG2 4.29Å; L150-I187 HydrophobicContact CD1-CD1 3.1Å; L150-I187 HydrophobicContact CG-CD1 4.48Å; K171-I187 CarbonylContact C-O 3.51Å; K171-I187 WeakPolarHBondContact CA-O 3.29Å; H172-I187 HydrophobicContact CB-CB 4.44Å; H172-I187 PolarHBondContact N-O 2.82Å; H172-I187 PolarHBondContact O-N 2.92Å; L185-I187 HydrophobicContact CD1-CG1 4.49Å; L185-I187 HydrophobicContact CD2-CD1 3.7Å; L185-I187 HydrophobicContact CD2-CG1 4.13Å; L185-I187 HydrophobicContact CG-CD1 4.11Å; L185-I187 HydrophobicContact CG-CG1 4.05Å
188V91.8Very high84.1Confident0 Ų057.8 Ų57.80%031%0.311CS..EExtended strand (participates in β ladder)trans-102.4103.1175.6-177.70000107.3T127 L128 M129 V130 I169 Y209T127-V188 HydrophobicContact CG2-CG2 3.79Å; L128-V188 PolarHBondContact O-N 3.1Å; M129-V188 WeakPolarHBondContact CA-O 3.32Å; M129-V188 HydrophobicContact CB-CB 4.19Å; M129-V188 HydrophobicContact CE-CG1 4.16Å; M129-V188 HydrophobicContact CG-CB 4.22Å; M129-V188 HydrophobicContact CG-CG1 4.21Å; M129-V188 HydrophobicContact SD-CG1 4.39Å; V130-V188 PolarHBondContact N-O 3.2Å; I169-V188 HydrophobicContact CG2-CG1 3.29Å; V188-Y209 HydrophobicContact CB-CE1 4.43Å; V188-Y209 HydrophobicContact CG1-CD1 4.23Å; V188-Y209 HydrophobicContact CG1-CE1 3.56Å; V188-Y209 HydrophobicContact CG2-CE1 4.08Å; V188-Y209 WeakPolarHBondContact CG2-OH 3.45Å
189D88.9Confident83.9Confident2 Ų253.8 Ų53.81%0.01129%0.293CS..EExtended strand (participates in β ladder)trans-91.8144.7176.7-16610.6000110.5T170 P191T170-D189 PolarHBondContact N-O 3.5Å; T170-D189 PolarHBondContact O-N 2.94Å; D189-P191 VanDerWaalsContact C-CD 3.43Å; D189-P191 VanDerWaalsContact O-CD 3.23Å; D189-P191 WeakPolarHBondContact O-CD 3.3Å
190T85.2Confident83.7Confident0 Ų047.7 Ų47.70%028%0.275CS..  trans-114.875.4176.952.40000108.5M129 V130 A131 I169 F193 V206M129-T190 HydrophobicContact CE-CG2 3.31Å; V130-T190 PolarHBondContact O-N 3.06Å; V130-T190 PolarHBondContact O-OG1 3.08Å; A131-T190 WeakPolarHBondContact CA-OG1 3.28Å; I169-T190 HydrophobicContact CG1-CG2 4.49Å; T190-F193 PolarHBondContact O-N 2.87Å; T190-V206 HydrophobicContact CG2-CG2 3.74Å
191P79.8Confident83.6Confident20 Ų2049.2 Ų49.213%0.1327%0.27CS..THydrogen-bonded Turntrans-61.7142.1178.928.8-35.5000110.1E168 T170 D189 F193E168-P191 VanDerWaalsContact O-CD 3.25Å; E168-P191 WeakPolarHBondContact O-CD 3.16Å; E168-P191 WeakPolarHBondContact O-CG 3.29Å; T170-P191 HydrophobicContact CG2-CG 4.35Å; D189-P191 VanDerWaalsContact C-CD 3.43Å; D189-P191 VanDerWaalsContact O-CD 3.23Å; D189-P191 WeakPolarHBondContact O-CD 3.3Å; P191-F193 VanDerWaalsContact C-N 3.27Å; P191-F193 PolarHBondContact O-N 2.63Å
192G72.5Confident83.4Confident24 Ų2447.3 Ų47.325%0.24726%0.259CS..THydrogen-bonded Turntrans74.57.1176.800000115.8G194 D195G192-G194 PolarHBondContact O-N 3.13Å; G192-D195 WeakPolarHBondContact CA-OD2 3.25Å; G192-D195 WeakPolarHBondContact O-CB 3.29Å; G192-D195 PolarHBondContact O-N 2.97Å
193F77.6Confident83.4Confident0 Ų043.3 Ų43.30%024%0.244CC..THydrogen-bonded Turntrans-59.2123.5176.6-179-90.9000111.4G132 E133 T190 P191 D195 C202 Y239 F255G132-F193 VanDerWaalsContact C-CD1 3.49Å; E133-F193 WeakPolarHBondContact CA-O 3.46Å; T190-F193 PolarHBondContact O-N 2.87Å; P191-F193 VanDerWaalsContact C-N 3.27Å; P191-F193 PolarHBondContact O-N 2.63Å; F193-D195 VanDerWaalsContact C-N 3.28Å; F193-D195 PolarHBondContact O-N 2.94Å; F193-C202 HydrophobicContact CE2-CB 4.02Å; F193-C202 VanDerWaalsContact CE2-SG 3.58Å; F193-Y239 HydrophobicContact CE1-CE2 4.2Å; F193-F255 HydrophobicContact CD2-CD2 4.43Å; F193-F255 HydrophobicContact CD2-CE2 4.14Å; F193-F255 HydrophobicContact CE1-CD2 4.34Å; F193-F255 AromaticContact CE2-CD2 3.28Å; F193-F255 HydrophobicContact CE2-CD2 3.28Å; F193-F255 AromaticContact CE2-CE2 3.36Å; F193-F255 HydrophobicContact CE2-CE2 3.36Å; F193-F255 HydrophobicContact CE2-CG 4.3Å; F193-F255 HydrophobicContact CE2-CZ 4.41Å; F193-F255 HydrophobicContact CZ-CB 4.19Å; F193-F255 AromaticContact CZ-CD2 3.22Å; F193-F255 HydrophobicContact CZ-CD2 3.22Å; F193-F255 AromaticContact CZ-CE2 3.65Å; F193-F255 HydrophobicContact CZ-CE2 3.65Å; F193-F255 AromaticContact CZ-CG 3.79Å; F193-F255 HydrophobicContact CZ-CG 3.79Å
194G74.8Confident83.4Confident12 Ų1247.5 Ų47.512%0.12426%0.258CS..THydrogen-bonded Turntrans80.4-1.7-17800000115.2G192 N199G192-G194 PolarHBondContact O-N 3.13Å; G194-N199 WeakPolarHBondContact CA-OD1 3.41Å; G194-N199 PolarHBondContact O-ND2 3.34Å
195D76.7Confident83.3Confident82 Ų8244.2 Ų44.244%0.43925%0.252SS..  trans-83.2-16.2-176.6-69.2-5.8000113S134 G192 F193S134-D195 WeakPolarHBondContact CB-OD1 3.43Å; S134-D195 WeakPolarHBondContact CB-OD2 3.45Å; S134-D195 PolarHBondContact OG-OD2 2.55Å; G192-D195 WeakPolarHBondContact CA-OD2 3.25Å; G192-D195 WeakPolarHBondContact O-CB 3.29Å; G192-D195 PolarHBondContact O-N 2.97Å; F193-D195 VanDerWaalsContact C-N 3.28Å; F193-D195 PolarHBondContact O-N 2.94Å
196A75Confident83.3Confident54 Ų5444.2 Ų44.245%0.44625%0.252SS..SBendtrans-70.5145.6-178.100000111.4N198 N199A196-N198 PolarHBondContact O-N 2.74Å; A196-N199 PolarHBondContact N-OD1 3.05Å; A196-N199 VanDerWaalsContact O-CG 3.27Å; A196-N199 PolarHBondContact O-ND2 3.16Å; A196-N199 PolarHBondContact O-OD1 3.02Å
197V74.4Confident83.3Confident161 Ų16143.4 Ų43.498%0.97625%0.247SC*.SBendtrans-60.5-37.3174.5178.90000110.9
198N78Confident83.3Confident109 Ų10948.7 Ų48.758%0.58327%0.272SS*.  trans-111.1105.7171.1-174.815.5000110A196 T200A196-N198 PolarHBondContact O-N 2.74Å; N198-T200 VanDerWaalsContact CG-OG1 3.28Å; N198-T200 PolarHBondContact ND2-OG1 3.19Å; N198-T200 WeakPolarHBondContact OD1-CB 3.24Å; N198-T200 WeakPolarHBondContact OD1-CG2 3.18Å; N198-T200 PolarHBondContact OD1-N 3.33Å; N198-T200 VanDerWaalsContact OD1-N 3.12Å; N198-T200 PolarHBondContact OD1-OG1 2.97Å; N198-T200 VanDerWaalsContact OD1-OG1 3.04Å
199N79.2Confident83.4Confident44 Ų4449.5 Ų49.524%0.23528%0.275CS..  trans-94.515.9178.2-72.9-48.6000113.2G194 A196 E201 C202 L251G194-N199 WeakPolarHBondContact CA-OD1 3.41Å; G194-N199 PolarHBondContact O-ND2 3.34Å; A196-N199 PolarHBondContact N-OD1 3.05Å; A196-N199 VanDerWaalsContact O-CG 3.27Å; A196-N199 PolarHBondContact O-ND2 3.16Å; A196-N199 PolarHBondContact O-OD1 3.02Å; N199-E201 PolarHBondContact O-N 3.34Å; N199-E201 VanDerWaalsContact O-N 3.08Å; N199-C202 HydrophobicContact CB-CB 4.47Å; N199-C202 PolarHBondContact O-N 3.42Å; N199-L251 HydrophobicContact CB-CD1 3.78Å
200T81.8Confident83.7Confident94 Ų9449.4 Ų49.458%0.57727%0.274SS*.THydrogen-bonded Turntrans-53119.4173.549.40000109.9N198 C202N198-T200 VanDerWaalsContact CG-OG1 3.28Å; N198-T200 PolarHBondContact ND2-OG1 3.19Å; N198-T200 WeakPolarHBondContact OD1-CB 3.24Å; N198-T200 WeakPolarHBondContact OD1-CG2 3.18Å; N198-T200 PolarHBondContact OD1-N 3.33Å; N198-T200 VanDerWaalsContact OD1-N 3.12Å; N198-T200 PolarHBondContact OD1-OG1 2.97Å; N198-T200 VanDerWaalsContact OD1-OG1 3.04Å; T200-C202 PolarHBondContact O-N 2.77Å
201E82.8Confident84.1Confident75 Ų7551.2 Ų51.235%0.3528%0.284SS..THydrogen-bonded Turntrans59.131.9174.7-50.8179.6121.200114.1N199 W203 R204N199-E201 PolarHBondContact O-N 3.34Å; N199-E201 VanDerWaalsContact O-N 3.08Å; E201-W203 PolarHBondContact O-N 3.24Å; E201-R204 HydrophobicContact CB-CG 3.9Å; E201-R204 WeakPolarHBondContact O-CB 3.33Å; E201-R204 PolarHBondContact O-N 2.67Å; E201-R204 IonicContact OE1-CZ 3.08Å; E201-R204 IonicContact OE1-NE 3.43Å; E201-R204 PolarHBondContact OE1-NE 3.42Å; E201-R204 VanDerWaalsContact OE1-NE 3.13Å; E201-R204 IonicContact OE1-NH2 2.73Å; E201-R204 PolarHBondContact OE1-NH2 3.33Å; E201-R204 IonicContact OE2-CZ 3.06Å; E201-R204 IonicContact OE2-NE 3.81Å; E201-R204 PolarHBondContact OE2-NE 3.36Å; E201-R204 VanDerWaalsContact OE2-NE 3.08Å; E201-R204 IonicContact OE2-NH1 2.66Å; E201-R204 PolarHBondContact OE2-NH1 2.65Å; E201-R204 IonicContact OE2-NH2 3.13Å; E201-R204 PolarHBondContact OE2-NH2 2.99Å
202C85.1Confident84.8Confident15 Ų1555.2 Ų55.210%0.10130%0.301CS..THydrogen-bonded Turntrans-55-17.2173.761.10000114.2F193 N199 T200 L251F193-C202 HydrophobicContact CE2-CB 4.02Å; F193-C202 VanDerWaalsContact CE2-SG 3.58Å; N199-C202 HydrophobicContact CB-CB 4.47Å; N199-C202 PolarHBondContact O-N 3.42Å; T200-C202 PolarHBondContact O-N 2.77Å; C202-L251 WeakPolarHBondContact SG-CD1 3.36Å
203W88.6Confident85.8Confident57 Ų5755 Ų5522%0.21629%0.293CS..THydrogen-bonded Turntrans-76-18.817460.6-100.6000113.6E201 V206 A207 F255 A258E201-W203 PolarHBondContact O-N 3.24Å; W203-V206 WeakPolarHBondContact O-CB 3.37Å; W203-V206 PolarHBondContact O-N 3.42Å; W203-A207 HydrophobicContact CE3-CB 3.75Å; W203-A207 HydrophobicContact CZ3-CB 3.95Å; W203-A207 WeakPolarHBondContact O-CB 3.42Å; W203-A207 PolarHBondContact O-N 3.25Å; W203-F255 HydrophobicContact CB-CD2 3.58Å; W203-F255 HydrophobicContact CB-CE2 4.2Å; W203-F255 HydrophobicContact CB-CG 4.35Å; W203-A258 HydrophobicContact CB-CB 4.18Å; W203-A258 HydrophobicContact CD2-CB 3.31Å; W203-A258 HydrophobicContact CE3-CB 3.46Å; W203-A258 VanDerWaalsContact CE3-CB 3.46Å; W203-A258 HydrophobicContact CG-CB 3.65Å; W203-A258 HydrophobicContact CH2-CB 4.33Å; W203-A258 HydrophobicContact CZ2-CB 4.21Å; W203-A258 HydrophobicContact CZ3-CB 3.98Å
204R90.5Very high86.7Confident113 Ų11355 Ų5543%0.42629%0.294SS..Hα-helixtrans-59.1-50.7-176-82.5177.7175.3-171.22113.4E201 V206 A207 E208E201-R204 HydrophobicContact CB-CG 3.9Å; E201-R204 WeakPolarHBondContact O-CB 3.33Å; E201-R204 PolarHBondContact O-N 2.67Å; E201-R204 IonicContact OE1-CZ 3.08Å; E201-R204 IonicContact OE1-NE 3.43Å; E201-R204 PolarHBondContact OE1-NE 3.42Å; E201-R204 VanDerWaalsContact OE1-NE 3.13Å; E201-R204 IonicContact OE1-NH2 2.73Å; E201-R204 PolarHBondContact OE1-NH2 3.33Å; E201-R204 IonicContact OE2-CZ 3.06Å; E201-R204 IonicContact OE2-NE 3.81Å; E201-R204 PolarHBondContact OE2-NE 3.36Å; E201-R204 VanDerWaalsContact OE2-NE 3.08Å; E201-R204 IonicContact OE2-NH1 2.66Å; E201-R204 PolarHBondContact OE2-NH1 2.65Å; E201-R204 IonicContact OE2-NH2 3.13Å; E201-R204 PolarHBondContact OE2-NH2 2.99Å; R204-V206 PolarHBondContact O-N 3.04Å; R204-A207 PolarHBondContact O-N 2.91Å; R204-A207 VanDerWaalsContact O-N 3.14Å; R204-E208 WeakPolarHBondContact O-CB 3.33Å; R204-E208 WeakPolarHBondContact O-CG 3.47Å; R204-E208 PolarHBondContact O-N 3.19Å
205P89.6Confident87.5Confident47 Ų4758 Ų5831%0.30531%0.305SS..Hα-helixtrans-57.8-36178.1-25.134.9000112.6V167 I169 Y209V167-P205 HydrophobicContact CB-CB 4.48Å; V167-P205 HydrophobicContact CB-CG 4.46Å; I169-P205 WeakPolarHBondContact CD1-O 3.39Å; P205-Y209 VanDerWaalsContact O-CB 3.24Å; P205-Y209 WeakPolarHBondContact O-CB 3.49Å; P205-Y209 PolarHBondContact O-N 3.38Å
206V91.6Very high88.3Confident0 Ų058 Ų580%030%0.302CS..Hα-helixtrans-70.2-46.3177.4170.10000111.5M129 T190 W203 R204 Y209 I210 F255 L259M129-V206 HydrophobicContact CE-CB 3.97Å; M129-V206 HydrophobicContact CE-CG1 3.26Å; M129-V206 HydrophobicContact CE-CG2 3.73Å; M129-V206 HydrophobicContact SD-CG1 3.85Å; T190-V206 HydrophobicContact CG2-CG2 3.74Å; W203-V206 WeakPolarHBondContact O-CB 3.37Å; W203-V206 PolarHBondContact O-N 3.42Å; R204-V206 PolarHBondContact O-N 3.04Å; V206-Y209 PolarHBondContact O-N 3.16Å; V206-I210 HydrophobicContact CG1-CD1 3.98Å; V206-I210 WeakPolarHBondContact O-CG1 3.26Å; V206-I210 PolarHBondContact O-N 2.87Å; V206-F255 HydrophobicContact CB-CE2 4.29Å; V206-F255 HydrophobicContact CG1-CE2 4.26Å; V206-F255 HydrophobicContact CG1-CZ 4.15Å; V206-F255 HydrophobicContact CG2-CE2 4.22Å; V206-L259 HydrophobicContact CB-CD1 4.5Å; V206-L259 HydrophobicContact CG1-CD1 3.52Å; V206-L259 HydrophobicContact CG1-CD2 4.14Å; V206-L259 HydrophobicContact CG1-CG 4.47Å
207A92.9Very high89.2Confident3 Ų356.5 Ų56.53%0.02529%0.285CS..Hα-helixtrans-63.3-45.4177.500000111.4W203 R204 Y209 I210 D211 L259W203-A207 HydrophobicContact CE3-CB 3.75Å; W203-A207 HydrophobicContact CZ3-CB 3.95Å; W203-A207 WeakPolarHBondContact O-CB 3.42Å; W203-A207 PolarHBondContact O-N 3.25Å; R204-A207 PolarHBondContact O-N 2.91Å; R204-A207 VanDerWaalsContact O-N 3.14Å; A207-Y209 VanDerWaalsContact C-N 3.3Å; A207-Y209 PolarHBondContact O-N 2.82Å; A207-I210 PolarHBondContact O-N 3.23Å; A207-D211 WeakPolarHBondContact O-CB 3.13Å; A207-D211 VanDerWaalsContact O-CG 3.26Å; A207-D211 PolarHBondContact O-N 3.42Å; A207-L259 HydrophobicContact CB-CD2 3.81Å
208E92.6Very high90Very high110 Ų11050.7 Ų50.751%0.51425%0.247SC..Hα-helixtrans-60.3-40.6175.5-73.6174.5-173.100111.5R204 D211 Q212R204-E208 WeakPolarHBondContact O-CB 3.33Å; R204-E208 WeakPolarHBondContact O-CG 3.47Å; R204-E208 PolarHBondContact O-N 3.19Å; E208-D211 PolarHBondContact O-N 3.34Å; E208-Q212 WeakPolarHBondContact O-CB 3.44Å; E208-Q212 WeakPolarHBondContact O-CG 3.26Å; E208-Q212 PolarHBondContact O-N 3.37Å
209Y93.4Very high90.6Very high17 Ų1752.2 Ų52.27%0.06724%0.244CC..Hα-helixtrans-62.8-44.2175.9173.4-95.1000113I169 K171 V188 P205 V206 A207 Q212 Q213 V234I169-Y209 HydrophobicContact CB-CD2 4.37Å; I169-Y209 HydrophobicContact CD1-CD1 4.26Å; I169-Y209 HydrophobicContact CD1-CD2 3.97Å; I169-Y209 HydrophobicContact CD1-CG 3.58Å; I169-Y209 HydrophobicContact CG2-CD1 4.35Å; I169-Y209 HydrophobicContact CG2-CD2 3.98Å; I169-Y209 HydrophobicContact CG2-CE1 4.34Å; I169-Y209 HydrophobicContact CG2-CE2 3.95Å; I169-Y209 HydrophobicContact CG2-CG 4.19Å; K171-Y209 WeakPolarHBondContact CD-OH 3.47Å; K171-Y209 VanDerWaalsContact CE-CE2 3.42Å; K171-Y209 WeakPolarHBondContact CE-OH 3.34Å; K171-Y209 PolarHBondContact NZ-OH 3.4Å; V188-Y209 HydrophobicContact CB-CE1 4.43Å; V188-Y209 HydrophobicContact CG1-CD1 4.23Å; V188-Y209 HydrophobicContact CG1-CE1 3.56Å; V188-Y209 HydrophobicContact CG2-CE1 4.08Å; V188-Y209 WeakPolarHBondContact CG2-OH 3.45Å; P205-Y209 VanDerWaalsContact O-CB 3.24Å; P205-Y209 WeakPolarHBondContact O-CB 3.49Å; P205-Y209 PolarHBondContact O-N 3.38Å; V206-Y209 PolarHBondContact O-N 3.16Å; A207-Y209 VanDerWaalsContact C-N 3.3Å; A207-Y209 PolarHBondContact O-N 2.82Å; Y209-Q212 WeakPolarHBondContact O-CB 3.08Å; Y209-Q212 PolarHBondContact O-N 3.15Å; Y209-Q213 HydrophobicContact CD1-CG 4.42Å; Y209-Q213 HydrophobicContact CE1-CG 3.93Å; Y209-Q213 HydrophobicContact CE2-CG 4.45Å; Y209-Q213 WeakPolarHBondContact O-CG 3.26Å; Y209-Q213 PolarHBondContact O-N 3.14Å; Y209-Q213 PolarHBondContact O-NE2 3.2Å; Y209-Q213 VanDerWaalsContact O-NE2 3.16Å; Y209-V234 HydrophobicContact CE1-CG2 4.04Å
210I94.8Very high91.2Very high0 Ų052.9 Ų52.90%025%0.248CC..Hα-helixtrans-64.6-46.1176.9-66.2162.1000109.9M129 V206 A207 Q212 Q213 F214 V234 L259 R262 V263M129-I210 HydrophobicContact SD-CD1 4.13Å; M129-I210 HydrophobicContact SD-CG1 4.29Å; V206-I210 HydrophobicContact CG1-CD1 3.98Å; V206-I210 WeakPolarHBondContact O-CG1 3.26Å; V206-I210 PolarHBondContact O-N 2.87Å; A207-I210 PolarHBondContact O-N 3.23Å; I210-Q212 VanDerWaalsContact C-N 3.29Å; I210-Q212 PolarHBondContact O-N 3.24Å; I210-Q213 PolarHBondContact O-N 2.86Å; I210-F214 HydrophobicContact CG2-CD2 4.04Å; I210-F214 HydrophobicContact CG2-CE2 3.61Å; I210-F214 HydrophobicContact CG2-CZ 3.99Å; I210-F214 PolarHBondContact O-N 3.22Å; I210-V234 HydrophobicContact CG1-CG2 4.29Å; I210-L259 HydrophobicContact CD1-CD2 3.85Å; I210-R262 HydrophobicContact CG2-CB 4.01Å; I210-V263 HydrophobicContact CD1-CB 4.3Å; I210-V263 HydrophobicContact CD1-CG1 4.09Å
211D94.3Very high91.6Very high38 Ų3850.9 Ų50.920%0.20323%0.232CC..Hα-helixtrans-61-38177.8-70.5-15.5000110.9A207 E208 F214 E215 R262A207-D211 WeakPolarHBondContact O-CB 3.13Å; A207-D211 VanDerWaalsContact O-CG 3.26Å; A207-D211 PolarHBondContact O-N 3.42Å; E208-D211 PolarHBondContact O-N 3.34Å; D211-F214 PolarHBondContact O-N 2.82Å; D211-E215 WeakPolarHBondContact O-CB 3.48Å; D211-E215 PolarHBondContact O-N 3.18Å; D211-R262 WeakPolarHBondContact OD1-CD 3.4Å; D211-R262 IonicContact OD1-CZ 3.42Å; D211-R262 IonicContact OD1-NE 3.25Å; D211-R262 PolarHBondContact OD1-NE 3.23Å; D211-R262 IonicContact OD2-CZ 2.69Å; D211-R262 IonicContact OD2-NE 3.46Å; D211-R262 PolarHBondContact OD2-NE 3.26Å; D211-R262 VanDerWaalsContact OD2-NE 3.17Å; D211-R262 IonicContact OD2-NH2 3.19Å; D211-R262 PolarHBondContact OD2-NH2 3.42Å
212Q94.4Very high91.8Very high105 Ų10550.5 Ų50.549%0.49124%0.237SC..Hα-helixtrans-64.7-38.3172.4-75.5168.326.400112.8E208 Y209 I210 F214 E215 Q216E208-Q212 WeakPolarHBondContact O-CB 3.44Å; E208-Q212 WeakPolarHBondContact O-CG 3.26Å; E208-Q212 PolarHBondContact O-N 3.37Å; Y209-Q212 WeakPolarHBondContact O-CB 3.08Å; Y209-Q212 PolarHBondContact O-N 3.15Å; I210-Q212 VanDerWaalsContact C-N 3.29Å; I210-Q212 PolarHBondContact O-N 3.24Å; Q212-F214 VanDerWaalsContact C-N 3.33Å; Q212-E215 PolarHBondContact O-N 3.33Å; Q212-Q216 WeakPolarHBondContact O-CB 3.49Å; Q212-Q216 PolarHBondContact O-N 3.28Å
213Q94.6Very high91.8Very high18 Ų1851.1 Ų51.18%0.08425%0.246CC..Hα-helixtrans-67.3-38.1176-59.2-33.7-81.500110.9K171 Y209 I210 Y217K171-Q213 VanDerWaalsContact NZ-OE1 3.09Å; Y209-Q213 HydrophobicContact CD1-CG 4.42Å; Y209-Q213 HydrophobicContact CE1-CG 3.93Å; Y209-Q213 HydrophobicContact CE2-CG 4.45Å; Y209-Q213 WeakPolarHBondContact O-CG 3.26Å; Y209-Q213 PolarHBondContact O-N 3.14Å; Y209-Q213 PolarHBondContact O-NE2 3.2Å; Y209-Q213 VanDerWaalsContact O-NE2 3.16Å; I210-Q213 PolarHBondContact O-N 2.86Å; Q213-Y217 WeakPolarHBondContact O-CB 3.24Å; Q213-Y217 PolarHBondContact O-N 3.17Å
214F95.2Very high91.6Very high2 Ų256.8 Ų56.81%0.00928%0.28CS..Hα-helixtrans-66.1-42.2173.3-69.3-30.6000112.5I210 D211 Q212 Y217 F218 R233 R262 T380 H384 Y385 Y388I210-F214 HydrophobicContact CG2-CD2 4.04Å; I210-F214 HydrophobicContact CG2-CE2 3.61Å; I210-F214 HydrophobicContact CG2-CZ 3.99Å; I210-F214 PolarHBondContact O-N 3.22Å; D211-F214 PolarHBondContact O-N 2.82Å; Q212-F214 VanDerWaalsContact C-N 3.33Å; F214-Y217 PolarHBondContact O-N 2.83Å; F214-F218 VanDerWaalsContact O-CB 3.27Å; F214-F218 WeakPolarHBondContact O-CB 3.45Å; F214-F218 PolarHBondContact O-N 2.87Å; F214-R233 HydrophobicContact CD1-CB 4.31Å; F214-R233 HydrophobicContact CD1-CG 3.83Å; F214-R233 HydrophobicContact CE1-CB 4.11Å; F214-R233 HydrophobicContact CE1-CG 4.1Å; F214-R262 HydrophobicContact CE2-CB 4.37Å; F214-R262 WeakPolarHBondContact CE2-O 3.41Å; F214-R262 WeakPolarHBondContact CZ-O 3.29Å; F214-T380 HydrophobicContact CE1-CG2 4.45Å; F214-H384 HydrophobicContact CZ-CB 4.09Å; F214-Y385 AromaticContact CD1-CD2 3.95Å; F214-Y385 HydrophobicContact CD1-CD2 3.95Å; F214-Y385 HydrophobicContact CG-CD2 4.45Å; F214-Y388 HydrophobicContact CB-CD1 3.64Å; F214-Y388 HydrophobicContact CB-CD2 4.28Å; F214-Y388 HydrophobicContact CB-CE1 3.71Å; F214-Y388 HydrophobicContact CB-CE2 4.34Å; F214-Y388 HydrophobicContact CB-CG 3.94Å; F214-Y388 HydrophobicContact CD2-CD2 4.18Å; F214-Y388 HydrophobicContact CD2-CG 4.09Å; F214-Y388 HydrophobicContact CG-CD1 4.41Å; F214-Y388 HydrophobicContact CG-CG 4.32Å
215E93.2Very high91.2Very high75 Ų7558.4 Ų58.435%0.3530%0.297SS..Hα-helixtrans-62.2-45.2176.5-171.4174.6-170.400111.6D211 Q212 Y217 F218 R219D211-E215 WeakPolarHBondContact O-CB 3.48Å; D211-E215 PolarHBondContact O-N 3.18Å; Q212-E215 PolarHBondContact O-N 3.33Å; E215-Y217 PolarHBondContact O-N 3.23Å; E215-F218 PolarHBondContact O-N 2.96Å; E215-R219 VanDerWaalsContact CD-NH2 3.3Å; E215-R219 VanDerWaalsContact O-CG 3.31Å; E215-R219 WeakPolarHBondContact O-CG 3.29Å; E215-R219 PolarHBondContact O-N 3.04Å; E215-R219 IonicContact OE1-CZ 3.2Å; E215-R219 IonicContact OE1-NE 3.38Å; E215-R219 PolarHBondContact OE1-NE 2.92Å; E215-R219 IonicContact OE1-NH2 3.66Å; E215-R219 PolarHBondContact OE1-NH2 2.92Å; E215-R219 IonicContact OE2-NH2 3.73Å
216Q92.6Very high90.9Very high81 Ų8164.1 Ų64.138%0.37931%0.312SS..Hα-helixtrans-59.6-48.8177.3-178.25747.400111.1Q212 F218 R219 D220Q212-Q216 WeakPolarHBondContact O-CB 3.49Å; Q212-Q216 PolarHBondContact O-N 3.28Å; Q216-F218 VanDerWaalsContact C-N 3.33Å; Q216-F218 PolarHBondContact O-N 3.34Å; Q216-R219 PolarHBondContact O-N 3.12Å; Q216-D220 VanDerWaalsContact NE2-CG 3.34Å; Q216-D220 PolarHBondContact NE2-OD1 3.1Å; Q216-D220 VanDerWaalsContact NE2-OD1 3.11Å; Q216-D220 PolarHBondContact NE2-OD2 3.49Å; Q216-D220 VanDerWaalsContact O-CG 3.31Å; Q216-D220 PolarHBondContact O-N 2.75Å
217Y93.3Very high90.4Very high23 Ų2374.2 Ų74.29%0.0936%0.356CS..Hα-helixtrans-63.2-39.6178-173.2-85000111.9Q213 F214 E215 R219 D220 E221 I229 D231 R233 Y385Q213-Y217 WeakPolarHBondContact O-CB 3.24Å; Q213-Y217 PolarHBondContact O-N 3.17Å; F214-Y217 PolarHBondContact O-N 2.83Å; E215-Y217 PolarHBondContact O-N 3.23Å; Y217-R219 PolarHBondContact O-N 3.08Å; Y217-D220 PolarHBondContact O-N 2.81Å; Y217-E221 HydrophobicContact CE1-CB 4.47Å; Y217-E221 WeakPolarHBondContact O-CB 3.39Å; Y217-E221 PolarHBondContact O-N 3.21Å; Y217-I229 HydrophobicContact CD2-CG2 3.96Å; Y217-I229 HydrophobicContact CE2-CG2 3.81Å; Y217-D231 HydrophobicContact CE2-CB 4.31Å; Y217-R233 HydrophobicContact CD2-CG 4.32Å; Y217-R233 HydrophobicContact CG-CG 4.14Å; Y217-Y385 HydrophobicContact CD1-CD2 4.24Å; Y217-Y385 AromaticContact CD1-CE1 3.94Å; Y217-Y385 HydrophobicContact CD1-CE1 3.94Å; Y217-Y385 AromaticContact CD1-CE2 3.53Å; Y217-Y385 HydrophobicContact CD1-CE2 3.53Å; Y217-Y385 AromaticContact CD1-CZ 3.37Å; Y217-Y385 WeakPolarHBondContact CD1-OH 3.48Å; Y217-Y385 HydrophobicContact CE1-CD1 4.43Å; Y217-Y385 AromaticContact CE1-CE1 3.76Å; Y217-Y385 HydrophobicContact CE1-CE1 3.76Å; Y217-Y385 HydrophobicContact CE1-CE2 4.22Å; Y217-Y385 AromaticContact CE1-CZ 3.66Å; Y217-Y385 HydrophobicContact CG-CE2 4.45Å
218F92.5Very high89.9Confident39 Ų3980.7 Ų80.717%0.17139%0.39CS..Hα-helixtrans-63.2-39.7176.3177.6-105.5000112.7F214 E215 Q216 S222 Y385 R389 C392 I393F214-F218 VanDerWaalsContact O-CB 3.27Å; F214-F218 WeakPolarHBondContact O-CB 3.45Å; F214-F218 PolarHBondContact O-N 2.87Å; E215-F218 PolarHBondContact O-N 2.96Å; Q216-F218 VanDerWaalsContact C-N 3.33Å; Q216-F218 PolarHBondContact O-N 3.34Å; F218-S222 VanDerWaalsContact O-CB 3.24Å; F218-S222 WeakPolarHBondContact O-CB 3.38Å; F218-S222 PolarHBondContact O-N 2.67Å; F218-S222 PolarHBondContact O-OG 3.33Å; F218-Y385 WeakPolarHBondContact CA-OH 3.5Å; F218-Y385 HydrophobicContact CB-CE2 4.38Å; F218-R389 HydrophobicContact CD2-CG 3.76Å; F218-R389 HydrophobicContact CE2-CG 3.7Å; F218-C392 HydrophobicContact CE1-CB 4.17Å; F218-C392 HydrophobicContact CE2-CB 4.46Å; F218-C392 HydrophobicContact CZ-CB 4.12Å; F218-I393 HydrophobicContact CE2-CG1 4.32Å; F218-I393 HydrophobicContact CZ-CG1 4.42Å
219R90.9Very high89.6Confident141 Ų14177.6 Ų77.653%0.53238%0.377SS..Hα-helixtrans-64.3-43.5174.5-72.3173.8-176-176.42.6111.3E215 Q216 Y217 S222 G223E215-R219 VanDerWaalsContact CD-NH2 3.3Å; E215-R219 VanDerWaalsContact O-CG 3.31Å; E215-R219 WeakPolarHBondContact O-CG 3.29Å; E215-R219 PolarHBondContact O-N 3.04Å; E215-R219 IonicContact OE1-CZ 3.2Å; E215-R219 IonicContact OE1-NE 3.38Å; E215-R219 PolarHBondContact OE1-NE 2.92Å; E215-R219 IonicContact OE1-NH2 3.66Å; E215-R219 PolarHBondContact OE1-NH2 2.92Å; E215-R219 IonicContact OE2-NH2 3.73Å; Q216-R219 PolarHBondContact O-N 3.12Å; Y217-R219 PolarHBondContact O-N 3.08Å; R219-S222 PolarHBondContact O-N 3.26Å; R219-G223 PolarHBondContact O-N 2.8Å
220D91.2Very high89.1Confident58 Ų5882.2 Ų82.231%0.3140%0.399SS..Hα-helixtrans-68.2-38179.6-66.2-26.6000112Q216 Y217 G223 I229Q216-D220 VanDerWaalsContact NE2-CG 3.34Å; Q216-D220 PolarHBondContact NE2-OD1 3.1Å; Q216-D220 VanDerWaalsContact NE2-OD1 3.11Å; Q216-D220 PolarHBondContact NE2-OD2 3.49Å; Q216-D220 VanDerWaalsContact O-CG 3.31Å; Q216-D220 PolarHBondContact O-N 2.75Å; Y217-D220 PolarHBondContact O-N 2.81Å; D220-G223 PolarHBondContact O-N 3.17Å; D220-I229 HydrophobicContact CB-CG1 4.28Å; D220-I229 HydrophobicContact CB-CG2 3.85Å
221E89.7Confident88.9Confident52 Ų5283.3 Ų83.324%0.24341%0.405CS..Hα-helixtrans-66.2-42.7173.5-178.8174.5-127.700112Y217 G223 R226 I229 Y385 R389Y217-E221 HydrophobicContact CE1-CB 4.47Å; Y217-E221 WeakPolarHBondContact O-CB 3.39Å; Y217-E221 PolarHBondContact O-N 3.21Å; E221-G223 VanDerWaalsContact C-N 3.26Å; E221-G223 PolarHBondContact O-N 2.97Å; E221-R226 WeakPolarHBondContact O-CD 3.23Å; E221-R226 PolarHBondContact O-NE 3.09Å; E221-I229 HydrophobicContact CB-CD1 4.44Å; E221-Y385 PolarHBondContact OE2-OH 2.84Å; E221-R389 IonicContact OE1-NH1 3.79Å; E221-R389 IonicContact OE2-NH1 3.21Å
222S87.5Confident88.7Confident66 Ų6684.4 Ų84.446%0.46241%0.411SS..Hα-helixtrans-71.8-22.9178.4-60.90000112.6F218 R219F218-S222 VanDerWaalsContact O-CB 3.24Å; F218-S222 WeakPolarHBondContact O-CB 3.38Å; F218-S222 PolarHBondContact O-N 2.67Å; F218-S222 PolarHBondContact O-OG 3.33Å; R219-S222 PolarHBondContact O-N 3.26Å
223G85.2Confident88.7Confident28 Ų2879.6 Ų79.629%0.28939%0.388SS..SBendtrans-67.5176.5-179.700000114.7R219 D220 E221 R226R219-G223 PolarHBondContact O-N 2.8Å; D220-G223 PolarHBondContact O-N 3.17Å; E221-G223 VanDerWaalsContact C-N 3.26Å; E221-G223 PolarHBondContact O-N 2.97Å; G223-R226 WeakPolarHBondContact O-CG 3.45Å; G223-R226 PolarHBondContact O-NE 2.94Å; G223-R226 VanDerWaalsContact O-NE 3.14Å
224L84.7Confident88.8Confident176 Ų17678.8 Ų78.892%0.92138%0.384SS*.SBendtrans-77.3-30.8-178.8-59175.5000112.6R226L224-R226 PolarHBondContact O-N 2.94Å
225N81.1Confident88.8Confident147 Ų14778.7 Ų78.779%0.78638%0.384SS*.  trans-97.263.5-171.7-74.3-25.4000113.6K227N225-K227 VanDerWaalsContact C-N 3.28Å; N225-K227 PolarHBondContact O-N 2.84Å
226R83.3Confident88.9Confident168 Ų16875.1 Ų75.163%0.63437%0.367SS*.G310 helixtrans-75.9-6.3-175-56.3178.2-169.9174.4-1.8115.8E221 G223 L224 I229E221-R226 WeakPolarHBondContact O-CD 3.23Å; E221-R226 PolarHBondContact O-NE 3.09Å; G223-R226 WeakPolarHBondContact O-CG 3.45Å; G223-R226 PolarHBondContact O-NE 2.94Å; G223-R226 VanDerWaalsContact O-NE 3.14Å; L224-R226 PolarHBondContact O-N 2.94Å; R226-I229 HydrophobicContact CB-CD1 4.29Å
227K80.8Confident89Confident212 Ų21271.3 Ų71.392%0.92235%0.349SS*.G310 helixtrans-75.6-25.7-170.6-67.3-176.1-179.5177.20114.1N225N225-K227 VanDerWaalsContact C-N 3.28Å; N225-K227 PolarHBondContact O-N 2.84Å
228N82.6Confident89.1Confident139 Ų13970.2 Ų70.274%0.74335%0.345SS*.G310 helixtrans-138.249.4-174.3-166.555.6000111.7
229I86.1Confident89.2Confident44 Ų4468.4 Ų68.423%0.22634%0.337CS..  trans-70.9131.9173.3-56.1171000108.1Y217 D220 E221 R226Y217-I229 HydrophobicContact CD2-CG2 3.96Å; Y217-I229 HydrophobicContact CE2-CG2 3.81Å; D220-I229 HydrophobicContact CB-CG1 4.28Å; D220-I229 HydrophobicContact CB-CG2 3.85Å; E221-I229 HydrophobicContact CB-CD1 4.44Å; R226-I229 HydrophobicContact CB-CD1 4.29Å
230Q84.3Confident89.4Confident115 Ų11561.8 Ų61.854%0.53731%0.312SS..  trans-91.1127.3171.8-68.1-175.7-25.300109.2N232Q230-N232 PolarHBondContact O-N 3.19Å
231D89.8Confident89.6Confident23 Ų2359 Ų5912%0.12330%0.297CS..  trans-86.5102.5178.6-163-8.9000110.6Y217 R233 H235Y217-D231 HydrophobicContact CE2-CB 4.31Å; D231-R233 VanDerWaalsContact OD1-CB 3.26Å; D231-R233 WeakPolarHBondContact OD1-CB 3.18Å; D231-R233 VanDerWaalsContact OD1-CG 3.26Å; D231-R233 WeakPolarHBondContact OD1-CG 3.41Å; D231-R233 IonicContact OD1-CZ 3.93Å; D231-R233 PolarHBondContact OD1-N 2.83Å; D231-R233 VanDerWaalsContact OD1-N 3.09Å; D231-R233 IonicContact OD1-NE 3.18Å; D231-R233 PolarHBondContact OD1-NE 2.73Å; D231-R233 IonicContact OD1-NH2 2.91Å; D231-R233 IonicContact OD2-CZ 3.42Å; D231-R233 IonicContact OD2-NE 3.62Å; D231-R233 PolarHBondContact OD2-NE 3.48Å; D231-R233 IonicContact OD2-NH2 3.97Å; D231-R233 PolarHBondContact OD2-NH2 3.19Å; D231-H235 IonicContact OD2-NE2 3.06Å
232N90Very high89.8Confident61 Ų6156.8 Ų56.833%0.32629%0.288SS..  trans-100.56.8176.3-65.8-52.8000112.7Q230Q230-N232 PolarHBondContact O-N 3.19Å
233R94.7Very high90Very high4 Ų453.9 Ų53.92%0.01527%0.267CS..  trans-66.6147.7179.8-59.9174.9-65.9168.67.4109.6T127 F214 Y217 D231 H235T127-R233 WeakPolarHBondContact CB-O 3.22Å; T127-R233 PolarHBondContact OG1-O 3.44Å; T127-R233 VanDerWaalsContact OG1-O 3.1Å; F214-R233 HydrophobicContact CD1-CB 4.31Å; F214-R233 HydrophobicContact CD1-CG 3.83Å; F214-R233 HydrophobicContact CE1-CB 4.11Å; F214-R233 HydrophobicContact CE1-CG 4.1Å; Y217-R233 HydrophobicContact CD2-CG 4.32Å; Y217-R233 HydrophobicContact CG-CG 4.14Å; D231-R233 VanDerWaalsContact OD1-CB 3.26Å; D231-R233 WeakPolarHBondContact OD1-CB 3.18Å; D231-R233 VanDerWaalsContact OD1-CG 3.26Å; D231-R233 WeakPolarHBondContact OD1-CG 3.41Å; D231-R233 IonicContact OD1-CZ 3.93Å; D231-R233 PolarHBondContact OD1-N 2.83Å; D231-R233 VanDerWaalsContact OD1-N 3.09Å; D231-R233 IonicContact OD1-NE 3.18Å; D231-R233 PolarHBondContact OD1-NE 2.73Å; D231-R233 IonicContact OD1-NH2 2.91Å; D231-R233 IonicContact OD2-CZ 3.42Å; D231-R233 IonicContact OD2-NE 3.62Å; D231-R233 PolarHBondContact OD2-NE 3.48Å; D231-R233 IonicContact OD2-NH2 3.97Å; D231-R233 PolarHBondContact OD2-NH2 3.19Å; R233-H235 PolarHBondContact O-N 2.94Å
234V95.7Very high90.3Very high1 Ų158.6 Ų58.61%0.00628%0.28CS..  trans-80.1118.2177.4-179.80000108.6T127 M129 Y209 I210 C236 V263T127-V234 HydrophobicContact CG2-CG2 4.14Å; M129-V234 HydrophobicContact CB-CG1 3.42Å; M129-V234 VanDerWaalsContact CB-CG1 3.42Å; M129-V234 HydrophobicContact CB-CG2 4.44Å; M129-V234 HydrophobicContact SD-CG1 4.49Å; M129-V234 HydrophobicContact SD-CG2 4.49Å; Y209-V234 HydrophobicContact CE1-CG2 4.04Å; I210-V234 HydrophobicContact CG1-CG2 4.29Å; V234-C236 WeakPolarHBondContact CG1-O 3.4Å; V234-V263 HydrophobicContact CB-CG2 4.25Å; V234-V263 HydrophobicContact CG1-CG2 3.67Å
235H95.2Very high90.4Very high0 Ų052.3 Ų52.30%026%0.257CS..  trans-85.4-31-178.4-51.9109.9000112.9F126 T127 D231 R233 N264 K377 T380F126-H235 HydrophobicContact CD2-CB 4.07Å; F126-H235 AromaticContact CD2-ND1 3.78Å; F126-H235 HydrophobicContact CE2-CB 3.72Å; F126-H235 HydrophobicContact CZ-CB 4.44Å; T127-H235 PolarHBondContact N-CE1 3.46Å; T127-H235 PolarHBondContact N-ND1 3.3Å; T127-H235 PolarHBondContact O-N 3.04Å; D231-H235 IonicContact OD2-NE2 3.06Å; R233-H235 PolarHBondContact O-N 2.94Å; H235-N264 WeakPolarHBondContact O-CB 3.48Å; H235-N264 PolarHBondContact O-ND2 2.86Å; H235-K377 HydrophobicContact CB-CG 4.28Å; H235-T380 WeakPolarHBondContact CA-OG1 3.03Å; H235-T380 PolarHBondContact O-OG1 3.22Å
236C95.3Very high90.7Very high0 Ų052.9 Ų52.90%026%0.255CS..EExtended strand (participates in β ladder)trans-148.7139.2-177.6178.10000110.3F126 L128 M129 V234 V266 L376F126-C236 HydrophobicContact CZ-CB 4.05Å; L128-C236 HydrophobicContact CD1-CB 3.86Å; M129-C236 PolarHBondContact N-O 2.99Å; V234-C236 WeakPolarHBondContact CG1-O 3.4Å; C236-V266 VanDerWaalsContact SG-CG2 3.57Å; C236-L376 HydrophobicContact CB-CD1 4.16Å; C236-L376 HydrophobicContact CB-CD2 4.29Å
237C95.5Very high91Very high0 Ų045.2 Ų45.20%023%0.228CC..EExtended strand (participates in β ladder)trans-114.7110.5172.3-179.90000109.6M129 Y239 V263 N264 V266M129-C237 HydrophobicContact CB-CB 4.32Å; M129-C237 CarbonylContact O-C 3.48Å; M129-C237 WeakPolarHBondContact O-CA 3.4Å; C237-Y239 PolarHBondContact O-N 3.04Å; C237-V263 HydrophobicContact CB-CB 4.45Å; C237-V263 HydrophobicContact CB-CG1 3.75Å; C237-V263 HydrophobicContact CB-CG2 3.78Å; C237-N264 PolarHBondContact N-O 3.39Å; C237-V266 PolarHBondContact O-N 3.19Å
238L95.5Very high91.6Very high1 Ų136 Ų361%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-78.6113.7171.1-56.2-171.2000109L128 M129 V130 A131 F240 V266 I268 L368L128-L238 HydrophobicContact CD1-CD1 4.12Å; L128-L238 HydrophobicContact CD1-CD2 4.07Å; L128-L238 HydrophobicContact CD1-CG 3.73Å; L128-L238 HydrophobicContact CD2-CD1 3.91Å; L128-L238 HydrophobicContact CD2-CG 4.4Å; L128-L238 HydrophobicContact CG-CD1 4.34Å; L128-L238 HydrophobicContact CG-CG 4.29Å; M129-L238 PolarHBondContact O-N 2.98Å; V130-L238 HydrophobicContact CG2-CB 4.48Å; A131-L238 PolarHBondContact N-O 3.47Å; L238-F240 HydrophobicContact CB-CD2 4.49Å; L238-F240 HydrophobicContact CB-CE2 3.97Å; L238-V266 HydrophobicContact CD2-CB 3.85Å; L238-V266 HydrophobicContact CD2-CG1 4.18Å; L238-V266 HydrophobicContact CD2-CG2 4.43Å; L238-I268 HydrophobicContact CB-CD1 3.87Å; L238-I268 HydrophobicContact CD1-CD1 3.96Å; L238-I268 HydrophobicContact CD2-CD1 4.09Å; L238-I268 HydrophobicContact CG-CD1 4.17Å; L238-L368 HydrophobicContact CD1-CD1 4.13Å; L238-L368 HydrophobicContact CD2-CD1 4.05Å; L238-L368 HydrophobicContact CD2-CD2 4.15Å
239Y95.1Very high92.1Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-101.8117.4178.8-170-104000111.4A131 F193 C237 I241 D252 F255 M256 V266 I268A131-Y239 HydrophobicContact CB-CD2 4.12Å; F193-Y239 HydrophobicContact CE1-CE2 4.2Å; C237-Y239 PolarHBondContact O-N 3.04Å; Y239-I241 HydrophobicContact CD1-CD1 4.5Å; Y239-I241 HydrophobicContact CD1-CG1 3.73Å; Y239-I241 HydrophobicContact CE1-CG1 3.85Å; Y239-I241 PolarHBondContact O-N 2.96Å; Y239-D252 HydrophobicContact CE1-CB 3.8Å; Y239-D252 WeakPolarHBondContact OH-CA 3.4Å; Y239-D252 PolarHBondContact OH-OD1 2.96Å; Y239-F255 AromaticContact CD2-CD1 3.4Å; Y239-F255 HydrophobicContact CD2-CD1 3.4Å; Y239-F255 AromaticContact CD2-CE1 3.29Å; Y239-F255 HydrophobicContact CD2-CE1 3.29Å; Y239-F255 HydrophobicContact CD2-CG 4.42Å; Y239-F255 HydrophobicContact CD2-CZ 4.27Å; Y239-F255 HydrophobicContact CE2-CB 4.34Å; Y239-F255 AromaticContact CE2-CD1 3.18Å; Y239-F255 HydrophobicContact CE2-CD1 3.18Å; Y239-F255 AromaticContact CE2-CE1 3.47Å; Y239-F255 HydrophobicContact CE2-CE1 3.47Å; Y239-F255 VanDerWaalsContact CE2-CE1 3.47Å; Y239-F255 AromaticContact CE2-CG 3.8Å; Y239-F255 HydrophobicContact CE2-CG 3.8Å; Y239-F255 HydrophobicContact CE2-CZ 4.28Å; Y239-F255 HydrophobicContact CG-CD1 4.35Å; Y239-F255 HydrophobicContact CG-CE1 4.37Å; Y239-M256 HydrophobicContact CD1-CG 4.04Å; Y239-M256 HydrophobicContact CD1-SD 3.97Å; Y239-M256 HydrophobicContact CE1-CG 4.29Å; Y239-M256 HydrophobicContact CE1-SD 4.29Å; Y239-M256 HydrophobicContact CG-CG 4.35Å; Y239-V266 PolarHBondContact N-O 3.06Å; Y239-I268 PolarHBondContact O-N 2.86Å
240F94.9Very high92.3Very high2 Ų235 Ų351%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-88.5108.1-176.2-75.2-112.8000112.2V130 A131 L136 K138 L141 L238 I268 A270V130-F240 HydrophobicContact CG1-CD2 4.12Å; V130-F240 HydrophobicContact CG1-CE2 3.61Å; V130-F240 HydrophobicContact CG1-CZ 4.4Å; A131-F240 WeakPolarHBondContact O-CD2 3.46Å; A131-F240 PolarHBondContact O-N 3.49Å; L136-F240 HydrophobicContact CB-CB 4.31Å; L136-F240 HydrophobicContact CB-CD1 4.4Å; L136-F240 HydrophobicContact CD1-CB 3.78Å; L136-F240 VanDerWaalsContact CD1-O 3.25Å; L136-F240 WeakPolarHBondContact CD1-O 3.38Å; K138-F240 HydrophobicContact CB-CE1 4.48Å; K138-F240 HydrophobicContact CB-CE2 4.36Å; K138-F240 HydrophobicContact CB-CZ 4.27Å; K138-F240 HydrophobicContact CD-CB 4.49Å; K138-F240 HydrophobicContact CD-CD2 4.2Å; K138-F240 HydrophobicContact CD-CG 4.33Å; K138-F240 HydrophobicContact CG-CB 4.26Å; K138-F240 HydrophobicContact CG-CD1 3.96Å; K138-F240 HydrophobicContact CG-CD2 3.85Å; K138-F240 HydrophobicContact CG-CE1 4.19Å; K138-F240 HydrophobicContact CG-CE2 4.1Å; K138-F240 HydrophobicContact CG-CG 3.76Å; K138-F240 HydrophobicContact CG-CZ 4.24Å; L141-F240 HydrophobicContact CB-CE1 4.1Å; L141-F240 HydrophobicContact CB-CZ 3.94Å; L141-F240 HydrophobicContact CD2-CE1 3.67Å; L141-F240 HydrophobicContact CD2-CE2 4.37Å; L141-F240 HydrophobicContact CD2-CZ 3.33Å; L141-F240 HydrophobicContact CG-CZ 4.24Å; L238-F240 HydrophobicContact CB-CD2 4.49Å; L238-F240 HydrophobicContact CB-CE2 3.97Å; F240-I268 HydrophobicContact CD1-CG2 4.4Å; F240-I268 HydrophobicContact CE1-CG2 4.4Å; F240-I268 HydrophobicContact CE2-CD1 4.29Å; F240-I268 HydrophobicContact CZ-CD1 4.37Å; F240-A270 HydrophobicContact CD1-CB 3.99Å
241I94.7Very high92.6Very high0 Ų031 Ų310%017%0.167CC..EExtended strand (participates in β ladder)trans-50106.5159.2-3.2132.3000116.8Y239 L248 P267 I268 A270 I287Y239-I241 HydrophobicContact CD1-CD1 4.5Å; Y239-I241 HydrophobicContact CD1-CG1 3.73Å; Y239-I241 HydrophobicContact CE1-CG1 3.85Å; Y239-I241 PolarHBondContact O-N 2.96Å; I241-L248 HydrophobicContact CD1-CD2 3.5Å; I241-L248 VanDerWaalsContact CD1-CD2 3.5Å; I241-L248 HydrophobicContact CG1-CD2 4.01Å; I241-L248 HydrophobicContact CG2-CD2 4.21Å; I241-P267 HydrophobicContact CD1-CB 3.9Å; I241-I268 WeakPolarHBondContact CA-O 3.46Å; I241-I268 PolarHBondContact N-O 3.44Å; I241-A270 VanDerWaalsContact O-CB 3.24Å; I241-A270 WeakPolarHBondContact O-CB 3.48Å; I241-A270 PolarHBondContact O-N 2.81Å; I241-I287 HydrophobicContact CD1-CD1 4.2Å; I241-I287 HydrophobicContact CD1-CG2 4.13Å
242S93.2Very high92.7Very high5 Ų529.9 Ų29.94%0.03516%0.161CC..  trans-62.8131.4168.6-1670000111.2E133 F244 K283E133-S242 WeakPolarHBondContact OE2-CB 3.35Å; E133-S242 PolarHBondContact OE2-OG 2.98Å; S242-F244 PolarHBondContact O-N 3.3Å; S242-K283 WeakPolarHBondContact O-CE 3.47Å; S242-K283 PolarHBondContact O-NZ 3.48Å
243P92.8Very high92.9Very high5 Ų527.6 Ų27.63%0.03215%0.149CC..SBendtrans-69.6-21.6176.332.1-39.4000111.8A270 K271 L275 K283P243-A270 WeakPolarHBondContact CB-O 3.4Å; P243-K271 HydrophobicContact CG-CB 4.08Å; P243-K271 HydrophobicContact CG-CD 4.49Å; P243-L275 HydrophobicContact CB-CD1 4.16Å; P243-L275 HydrophobicContact CB-CG 4.39Å; P243-K283 PolarHBondContact O-NZ 3.47Å
244F90.3Very high92.8Very high128 Ų12832.2 Ų32.256%0.56117%0.171SC*.SBendtrans-84.2117.9-179.3-50.5-67.2000109.6S242S242-F244 PolarHBondContact O-N 3.3Å
245G87.2Confident92.6Very high43 Ų4332.2 Ų32.244%0.44317%0.171SC..SBendtrans125.5159.4179.900000113G247 K283G245-G247 PolarHBondContact O-N 3.05Å; G245-K283 PolarHBondContact O-NZ 2.58Å
246H88Confident92.6Very high160 Ų16032.2 Ų32.274%0.74117%0.171SC*.SBendtrans-83.7-4.3-172.5-63-69.8000114.6K286H246-K286 WeakPolarHBondContact O-CD 3.3Å; H246-K286 WeakPolarHBondContact O-CE 3.4Å; H246-K286 PolarHBondContact O-NZ 3.21Å
247G90.3Very high92.6Very high7 Ų738 Ų387%0.07220%0.196CC..SBendtrans-174.8-153.7-174.600000110.5G245G245-G247 PolarHBondContact O-N 3.05Å
248L92.9Very high92.4Very high17 Ų1738.8 Ų38.89%0.08920%0.203CC..  trans-71.6139.5164.6-61.5177.2000109.7I241 D252 V253 M256 I287 E290 I291I241-L248 HydrophobicContact CD1-CD2 3.5Å; I241-L248 VanDerWaalsContact CD1-CD2 3.5Å; I241-L248 HydrophobicContact CG1-CD2 4.01Å; I241-L248 HydrophobicContact CG2-CD2 4.21Å; L248-D252 HydrophobicContact CB-CB 4.38Å; L248-D252 HydrophobicContact CD2-CB 4.33Å; L248-V253 HydrophobicContact CB-CG2 3.81Å; L248-V253 HydrophobicContact CD1-CG2 4.21Å; L248-M256 HydrophobicContact CD1-SD 4.48Å; L248-M256 HydrophobicContact CD2-SD 4.44Å; L248-I287 HydrophobicContact CD2-CG1 4.2Å; L248-I287 HydrophobicContact CD2-CG2 3.98Å; L248-I287 HydrophobicContact CG-CG1 4.39Å; L248-I287 HydrophobicContact CG-CG2 4.27Å; L248-E290 WeakPolarHBondContact CA-OE2 3.29Å; L248-E290 WeakPolarHBondContact CB-OE2 3.44Å; L248-E290 HydrophobicContact CD1-CB 4.08Å; L248-E290 HydrophobicContact CG-CB 4.41Å; L248-E290 PolarHBondContact N-OE2 3.3Å; L248-I291 HydrophobicContact CD1-CG1 3.85Å
249R92.1Very high92.4Very high62 Ų6238.8 Ų38.823%0.23420%0.203CC..  trans-85.5157.4174.6-56.7173-57.914714.4108.9E133 L251 D252 V253E133-R249 IonicContact OE1-CZ 3.71Å; E133-R249 IonicContact OE1-NH1 3.98Å; E133-R249 PolarHBondContact OE1-NH1 3.29Å; E133-R249 IonicContact OE1-NH2 2.88Å; E133-R249 PolarHBondContact OE1-NH2 3.41Å; E133-R249 IonicContact OE2-CZ 3.83Å; E133-R249 IonicContact OE2-NH1 3.43Å; E133-R249 PolarHBondContact OE2-NH1 3.11Å; E133-R249 IonicContact OE2-NH2 2.82Å; E133-R249 PolarHBondContact OE2-NH2 3.24Å; R249-L251 PolarHBondContact O-N 3.49Å; R249-L251 VanDerWaalsContact O-N 3.12Å; R249-D252 VanDerWaalsContact CB-OD2 3.26Å; R249-D252 WeakPolarHBondContact CB-OD2 3.48Å; R249-D252 IonicContact CZ-OD2 3.95Å; R249-D252 PolarHBondContact N-OD2 3.44Å; R249-D252 IonicContact NE-OD1 3.35Å; R249-D252 IonicContact NE-OD2 3.69Å; R249-D252 PolarHBondContact NE-OD2 3.36Å; R249-D252 IonicContact NH2-OD1 3.25Å; R249-D252 PolarHBondContact NH2-OD1 3.42Å; R249-D252 IonicContact NH2-OD2 3.17Å; R249-D252 WeakPolarHBondContact O-CA 3.35Å; R249-D252 WeakPolarHBondContact O-CB 3.43Å; R249-D252 PolarHBondContact O-N 3.15Å; R249-V253 PolarHBondContact O-N 2.92Å
250P91.2Very high92.3Very high102 Ų10240 Ų4066%0.66221%0.209SC*.Hα-helixtrans-52.3-38.3178-28.135.5000113.1D252 V253 E254P250-D252 VanDerWaalsContact C-N 3.34Å; P250-D252 PolarHBondContact O-N 3.29Å; P250-V253 PolarHBondContact O-N 3.02Å; P250-E254 WeakPolarHBondContact O-CG 3.22Å; P250-E254 PolarHBondContact O-N 2.91Å
251L90.3Very high92.2Very high29 Ų2945.8 Ų45.815%0.15224%0.235CC..Hα-helixtrans-56.6-45.5173.3-173.672.8000112.6N199 C202 R249 F255N199-L251 HydrophobicContact CB-CD1 3.78Å; C202-L251 WeakPolarHBondContact SG-CD1 3.36Å; R249-L251 PolarHBondContact O-N 3.49Å; R249-L251 VanDerWaalsContact O-N 3.12Å; L251-F255 WeakPolarHBondContact O-CB 3.49Å; L251-F255 PolarHBondContact O-N 2.95Å
252D92.8Very high92.1Very high0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-67-42-178.5-54.5-40.8000110.5Y239 L248 R249 P250 F255 M256Y239-D252 HydrophobicContact CE1-CB 3.8Å; Y239-D252 WeakPolarHBondContact OH-CA 3.4Å; Y239-D252 PolarHBondContact OH-OD1 2.96Å; L248-D252 HydrophobicContact CB-CB 4.38Å; L248-D252 HydrophobicContact CD2-CB 4.33Å; R249-D252 VanDerWaalsContact CB-OD2 3.26Å; R249-D252 WeakPolarHBondContact CB-OD2 3.48Å; R249-D252 IonicContact CZ-OD2 3.95Å; R249-D252 PolarHBondContact N-OD2 3.44Å; R249-D252 IonicContact NE-OD1 3.35Å; R249-D252 IonicContact NE-OD2 3.69Å; R249-D252 PolarHBondContact NE-OD2 3.36Å; R249-D252 IonicContact NH2-OD1 3.25Å; R249-D252 PolarHBondContact NH2-OD1 3.42Å; R249-D252 IonicContact NH2-OD2 3.17Å; R249-D252 WeakPolarHBondContact O-CA 3.35Å; R249-D252 WeakPolarHBondContact O-CB 3.43Å; R249-D252 PolarHBondContact O-N 3.15Å; P250-D252 VanDerWaalsContact C-N 3.34Å; P250-D252 PolarHBondContact O-N 3.29Å; D252-F255 PolarHBondContact O-N 3.15Å; D252-M256 WeakPolarHBondContact O-CB 3.37Å; D252-M256 VanDerWaalsContact O-CG 3.25Å; D252-M256 WeakPolarHBondContact O-CG 3.37Å; D252-M256 PolarHBondContact O-N 3.22Å
253V93.7Very high92.2Very high13 Ų1348.8 Ų48.88%0.07925%0.246CC..Hα-helixtrans-62.8-48.4177.2175.90000111.1L248 R249 P250 F255 K257 F294 I296L248-V253 HydrophobicContact CB-CG2 3.81Å; L248-V253 HydrophobicContact CD1-CG2 4.21Å; R249-V253 PolarHBondContact O-N 2.92Å; P250-V253 PolarHBondContact O-N 3.02Å; V253-F255 PolarHBondContact O-N 3.03Å; V253-K257 WeakPolarHBondContact O-CB 3.23Å; V253-K257 PolarHBondContact O-N 2.97Å; V253-F294 HydrophobicContact CB-CD2 4.36Å; V253-F294 HydrophobicContact CB-CE2 4.41Å; V253-F294 HydrophobicContact CG1-CB 4.15Å; V253-F294 HydrophobicContact CG1-CD1 3.78Å; V253-F294 HydrophobicContact CG1-CD2 3.6Å; V253-F294 HydrophobicContact CG1-CE1 4.04Å; V253-F294 HydrophobicContact CG1-CE2 3.9Å; V253-F294 HydrophobicContact CG1-CG 3.57Å; V253-F294 HydrophobicContact CG1-CZ 4.11Å; V253-F294 HydrophobicContact CG2-CD2 3.74Å; V253-F294 HydrophobicContact CG2-CE2 3.58Å; V253-F294 HydrophobicContact CG2-CZ 4.24Å; V253-I296 HydrophobicContact CG1-CD1 4.26Å
254E92.2Very high92.3Very high102 Ų10248.8 Ų48.848%0.47725%0.246SC..Hα-helixtrans-61.8-43.6178.8-75-179.8-16800112P250 A258P250-E254 WeakPolarHBondContact O-CG 3.22Å; P250-E254 PolarHBondContact O-N 2.91Å; E254-A258 WeakPolarHBondContact O-CB 3.48Å; E254-A258 PolarHBondContact O-N 2.9Å
255F92.3Very high92.6Very high0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-62.7-51.7178.3-177.5-89.8000111.9A131 F193 W203 V206 Y239 L251 D252 V253 K257 A258 L259A131-F255 HydrophobicContact CB-CE1 3.9Å; A131-F255 HydrophobicContact CB-CE2 4.4Å; A131-F255 HydrophobicContact CB-CZ 3.48Å; A131-F255 VanDerWaalsContact CB-CZ 3.48Å; F193-F255 HydrophobicContact CD2-CD2 4.43Å; F193-F255 HydrophobicContact CD2-CE2 4.14Å; F193-F255 HydrophobicContact CE1-CD2 4.34Å; F193-F255 AromaticContact CE2-CD2 3.28Å; F193-F255 HydrophobicContact CE2-CD2 3.28Å; F193-F255 AromaticContact CE2-CE2 3.36Å; F193-F255 HydrophobicContact CE2-CE2 3.36Å; F193-F255 HydrophobicContact CE2-CG 4.3Å; F193-F255 HydrophobicContact CE2-CZ 4.41Å; F193-F255 HydrophobicContact CZ-CB 4.19Å; F193-F255 AromaticContact CZ-CD2 3.22Å; F193-F255 HydrophobicContact CZ-CD2 3.22Å; F193-F255 AromaticContact CZ-CE2 3.65Å; F193-F255 HydrophobicContact CZ-CE2 3.65Å; F193-F255 AromaticContact CZ-CG 3.79Å; F193-F255 HydrophobicContact CZ-CG 3.79Å; W203-F255 HydrophobicContact CB-CD2 3.58Å; W203-F255 HydrophobicContact CB-CE2 4.2Å; W203-F255 HydrophobicContact CB-CG 4.35Å; V206-F255 HydrophobicContact CB-CE2 4.29Å; V206-F255 HydrophobicContact CG1-CE2 4.26Å; V206-F255 HydrophobicContact CG1-CZ 4.15Å; V206-F255 HydrophobicContact CG2-CE2 4.22Å; Y239-F255 AromaticContact CD2-CD1 3.4Å; Y239-F255 HydrophobicContact CD2-CD1 3.4Å; Y239-F255 AromaticContact CD2-CE1 3.29Å; Y239-F255 HydrophobicContact CD2-CE1 3.29Å; Y239-F255 HydrophobicContact CD2-CG 4.42Å; Y239-F255 HydrophobicContact CD2-CZ 4.27Å; Y239-F255 HydrophobicContact CE2-CB 4.34Å; Y239-F255 AromaticContact CE2-CD1 3.18Å; Y239-F255 HydrophobicContact CE2-CD1 3.18Å; Y239-F255 AromaticContact CE2-CE1 3.47Å; Y239-F255 HydrophobicContact CE2-CE1 3.47Å; Y239-F255 VanDerWaalsContact CE2-CE1 3.47Å; Y239-F255 AromaticContact CE2-CG 3.8Å; Y239-F255 HydrophobicContact CE2-CG 3.8Å; Y239-F255 HydrophobicContact CE2-CZ 4.28Å; Y239-F255 HydrophobicContact CG-CD1 4.35Å; Y239-F255 HydrophobicContact CG-CE1 4.37Å; L251-F255 WeakPolarHBondContact O-CB 3.49Å; L251-F255 PolarHBondContact O-N 2.95Å; D252-F255 PolarHBondContact O-N 3.15Å; V253-F255 PolarHBondContact O-N 3.03Å; F255-K257 VanDerWaalsContact C-N 3.33Å; F255-K257 PolarHBondContact O-N 3.36Å; F255-A258 PolarHBondContact O-N 2.82Å; F255-L259 HydrophobicContact CD1-CD1 4.02Å; F255-L259 HydrophobicContact CD2-CD1 4.28Å; F255-L259 HydrophobicContact CE1-CD1 3.37Å; F255-L259 HydrophobicContact CE2-CD1 3.68Å; F255-L259 HydrophobicContact CG-CD1 4.44Å; F255-L259 HydrophobicContact CZ-CD1 3.18Å; F255-L259 HydrophobicContact CZ-CG 4.5Å; F255-L259 PolarHBondContact O-N 3.48Å; F255-L259 VanDerWaalsContact O-N 3.15Å
256M94.8Very high93Very high0 Ų040.7 Ų40.70%020%0.198CC..Hα-helixtrans-64.5-40.2-179.3-68.2177.275.300111.1Y239 L248 D252 A258 L259 H260 I265 P267 I291 I296 I298Y239-M256 HydrophobicContact CD1-CG 4.04Å; Y239-M256 HydrophobicContact CD1-SD 3.97Å; Y239-M256 HydrophobicContact CE1-CG 4.29Å; Y239-M256 HydrophobicContact CE1-SD 4.29Å; Y239-M256 HydrophobicContact CG-CG 4.35Å; L248-M256 HydrophobicContact CD1-SD 4.48Å; L248-M256 HydrophobicContact CD2-SD 4.44Å; D252-M256 WeakPolarHBondContact O-CB 3.37Å; D252-M256 VanDerWaalsContact O-CG 3.25Å; D252-M256 WeakPolarHBondContact O-CG 3.37Å; D252-M256 PolarHBondContact O-N 3.22Å; M256-A258 VanDerWaalsContact C-N 3.31Å; M256-A258 PolarHBondContact O-N 2.81Å; M256-L259 PolarHBondContact O-N 2.87Å; M256-H260 VanDerWaalsContact O-CB 3.32Å; M256-H260 WeakPolarHBondContact O-CB 3.34Å; M256-H260 PolarHBondContact O-N 2.75Å; M256-I265 HydrophobicContact CB-CD1 4.28Å; M256-I265 HydrophobicContact CE-CG2 4.01Å; M256-P267 HydrophobicContact CE-CB 4.34Å; M256-I291 HydrophobicContact CE-CD1 4.05Å; M256-I291 HydrophobicContact CE-CG1 4.24Å; M256-I296 HydrophobicContact CB-CD1 3.99Å; M256-I296 HydrophobicContact CB-CG2 3.81Å; M256-I296 HydrophobicContact CE-CG2 4.15Å; M256-I298 HydrophobicContact CE-CG2 3.67Å
257K94.3Very high93.3Very high122 Ų12233 Ų3353%0.5316%0.163SC..Hα-helixtrans-65.7-30.7176.1-172.8174.5-177.5175.40113.1V253 F255 H260 I296V253-K257 WeakPolarHBondContact O-CB 3.23Å; V253-K257 PolarHBondContact O-N 2.97Å; F255-K257 VanDerWaalsContact C-N 3.33Å; F255-K257 PolarHBondContact O-N 3.36Å; K257-H260 PolarHBondContact O-CD2 3.49Å; K257-H260 PolarHBondContact O-NE2 2.78Å; K257-I296 HydrophobicContact CB-CG1 4.27Å
258A92.8Very high93.6Very high17 Ų1732.7 Ų32.714%0.1416%0.159CC..Hα-helixtrans-76-30.517600000112.9W203 E254 F255 M256 R262W203-A258 HydrophobicContact CB-CB 4.18Å; W203-A258 HydrophobicContact CD2-CB 3.31Å; W203-A258 HydrophobicContact CE3-CB 3.46Å; W203-A258 VanDerWaalsContact CE3-CB 3.46Å; W203-A258 HydrophobicContact CG-CB 3.65Å; W203-A258 HydrophobicContact CH2-CB 4.33Å; W203-A258 HydrophobicContact CZ2-CB 4.21Å; W203-A258 HydrophobicContact CZ3-CB 3.98Å; E254-A258 WeakPolarHBondContact O-CB 3.48Å; E254-A258 PolarHBondContact O-N 2.9Å; F255-A258 PolarHBondContact O-N 2.82Å; M256-A258 VanDerWaalsContact C-N 3.31Å; M256-A258 PolarHBondContact O-N 2.81Å; A258-R262 PolarHBondContact O-NH1 3.28Å
259L93.6Very high93.7Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-102.1-16.7-172.3-68.4-177.7000115.4V206 A207 I210 F255 M256 Q261 R262 V263 I265V206-L259 HydrophobicContact CB-CD1 4.5Å; V206-L259 HydrophobicContact CG1-CD1 3.52Å; V206-L259 HydrophobicContact CG1-CD2 4.14Å; V206-L259 HydrophobicContact CG1-CG 4.47Å; A207-L259 HydrophobicContact CB-CD2 3.81Å; I210-L259 HydrophobicContact CD1-CD2 3.85Å; F255-L259 HydrophobicContact CD1-CD1 4.02Å; F255-L259 HydrophobicContact CD2-CD1 4.28Å; F255-L259 HydrophobicContact CE1-CD1 3.37Å; F255-L259 HydrophobicContact CE2-CD1 3.68Å; F255-L259 HydrophobicContact CG-CD1 4.44Å; F255-L259 HydrophobicContact CZ-CD1 3.18Å; F255-L259 HydrophobicContact CZ-CG 4.5Å; F255-L259 PolarHBondContact O-N 3.48Å; F255-L259 VanDerWaalsContact O-N 3.15Å; M256-L259 PolarHBondContact O-N 2.87Å; L259-Q261 PolarHBondContact O-N 3.43Å; L259-R262 PolarHBondContact O-N 3.04Å; L259-V263 HydrophobicContact CB-CG1 4.19Å; L259-V263 PolarHBondContact O-N 2.82Å; L259-I265 HydrophobicContact CB-CD1 4.01Å
260H93.8Very high93.8Very high27 Ų2729 Ų2913%0.12514%0.144CC..THydrogen-bonded Turntrans-56.7-21.7-173.776.3133000115.7M256 K257 I265 I296 K297M256-H260 VanDerWaalsContact O-CB 3.32Å; M256-H260 WeakPolarHBondContact O-CB 3.34Å; M256-H260 PolarHBondContact O-N 2.75Å; K257-H260 PolarHBondContact O-CD2 3.49Å; K257-H260 PolarHBondContact O-NE2 2.78Å; H260-I265 HydrophobicContact CB-CD1 4.24Å; H260-I296 HydrophobicContact CB-CG2 4.2Å; H260-K297 HydrophobicContact CB-CB 4.22Å; H260-K297 WeakPolarHBondContact CB-O 3.35Å; H260-K297 PolarHBondContact ND1-N 2.64Å
261Q92.7Very high93.9Very high122 Ų12227.1 Ų27.157%0.5713%0.126SC*.THydrogen-bonded Turntrans-90.4-14.8177.4-72.5176.52.600113.6L259 H384L259-Q261 PolarHBondContact O-N 3.43Å; Q261-H384 VanDerWaalsContact C-ND1 3.35Å; Q261-H384 PolarHBondContact O-ND1 2.88Å
262R92.4Very high94Very high69 Ų6926 Ų2626%0.2612%0.121SC..THydrogen-bonded Turntrans-105.3-29.6-171.9-64.9176.5168.890.8-3.2113.3I210 D211 F214 A258 L259 H384I210-R262 HydrophobicContact CG2-CB 4.01Å; D211-R262 WeakPolarHBondContact OD1-CD 3.4Å; D211-R262 IonicContact OD1-CZ 3.42Å; D211-R262 IonicContact OD1-NE 3.25Å; D211-R262 PolarHBondContact OD1-NE 3.23Å; D211-R262 IonicContact OD2-CZ 2.69Å; D211-R262 IonicContact OD2-NE 3.46Å; D211-R262 PolarHBondContact OD2-NE 3.26Å; D211-R262 VanDerWaalsContact OD2-NE 3.17Å; D211-R262 IonicContact OD2-NH2 3.19Å; D211-R262 PolarHBondContact OD2-NH2 3.42Å; F214-R262 HydrophobicContact CE2-CB 4.37Å; F214-R262 WeakPolarHBondContact CE2-O 3.41Å; F214-R262 WeakPolarHBondContact CZ-O 3.29Å; A258-R262 PolarHBondContact O-NH1 3.28Å; L259-R262 PolarHBondContact O-N 3.04Å; R262-H384 WeakPolarHBondContact O-CB 3.27Å
263V95.2Very high94Very high0 Ų027.9 Ų27.90%013%0.131CC..SBendtrans-147.2150.2-174.566.70000110.9I210 V234 C237 L259 I265 H384I210-V263 HydrophobicContact CD1-CB 4.3Å; I210-V263 HydrophobicContact CD1-CG1 4.09Å; V234-V263 HydrophobicContact CB-CG2 4.25Å; V234-V263 HydrophobicContact CG1-CG2 3.67Å; C237-V263 HydrophobicContact CB-CB 4.45Å; C237-V263 HydrophobicContact CB-CG1 3.75Å; C237-V263 HydrophobicContact CB-CG2 3.78Å; L259-V263 HydrophobicContact CB-CG1 4.19Å; L259-V263 PolarHBondContact O-N 2.82Å; V263-I265 HydrophobicContact CG1-CG1 4.16Å; V263-I265 PolarHBondContact O-N 2.87Å; V263-H384 VanDerWaalsContact C-NE2 3.34Å
264N95.3Very high94Very high5 Ų530.5 Ų30.53%0.02715%0.147CC..  trans-66.4111.6170.3-65.5-50.6000109.8H235 C237 Y299 L376 V379 T380 H384H235-N264 WeakPolarHBondContact O-CB 3.48Å; H235-N264 PolarHBondContact O-ND2 2.86Å; C237-N264 PolarHBondContact N-O 3.39Å; N264-Y299 HydrophobicContact CB-CD2 4.2Å; N264-L376 HydrophobicContact CB-CD2 3.79Å; N264-L376 PolarHBondContact ND2-O 3.33Å; N264-V379 WeakPolarHBondContact OD1-CG1 3.37Å; N264-T380 PolarHBondContact ND2-OG1 3.08Å; N264-H384 PolarHBondContact N-NE2 3.01Å; N264-H384 PolarHBondContact OD1-NE2 2.75Å; N264-H384 VanDerWaalsContact OD1-NE2 3.12Å
265I96.2Very high94Very high0 Ų027.3 Ų27.30%013%0.133CC..EExtended strand (participates in β ladder)trans-93.5124.2178.7-57.9175.7000109.4M256 L259 H260 V263 Y299M256-I265 HydrophobicContact CB-CD1 4.28Å; M256-I265 HydrophobicContact CE-CG2 4.01Å; L259-I265 HydrophobicContact CB-CD1 4.01Å; H260-I265 HydrophobicContact CB-CD1 4.24Å; V263-I265 HydrophobicContact CG1-CG1 4.16Å; V263-I265 PolarHBondContact O-N 2.87Å; I265-Y299 PolarHBondContact O-N 2.91Å; I265-Y299 VanDerWaalsContact O-N 3.08Å
266V95.5Very high94.1Very high0 Ų030.8 Ų30.80%015%0.154CC..EExtended strand (participates in β ladder)trans-110.3105.8171.4179.10000108.5C236 C237 L238 Y239 I268 F325 L364 M367C236-V266 VanDerWaalsContact SG-CG2 3.57Å; C237-V266 PolarHBondContact O-N 3.19Å; L238-V266 HydrophobicContact CD2-CB 3.85Å; L238-V266 HydrophobicContact CD2-CG1 4.18Å; L238-V266 HydrophobicContact CD2-CG2 4.43Å; Y239-V266 PolarHBondContact N-O 3.06Å; V266-I268 HydrophobicContact CG1-CG1 4.46Å; V266-F325 HydrophobicContact CG1-CD2 3.82Å; V266-F325 HydrophobicContact CG1-CE2 3.87Å; V266-L364 HydrophobicContact CG1-CD1 4.23Å; V266-M367 HydrophobicContact CG1-CE 4.24Å; V266-M367 HydrophobicContact CG2-CE 3.67Å
267P95.8Very high93.9Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-75.5130.9178.930.2-33.3000110.8I241 M256 I291 I298 I323 P324 F325I241-P267 HydrophobicContact CD1-CB 3.9Å; M256-P267 HydrophobicContact CE-CB 4.34Å; P267-I291 HydrophobicContact CG-CD1 4.39Å; P267-I298 HydrophobicContact CG-CD1 4.32Å; P267-I298 HydrophobicContact CG-CG2 4.47Å; P267-I323 HydrophobicContact CG-CG2 3.93Å; P267-P324 HydrophobicContact CB-CB 3.94Å; P267-P324 HydrophobicContact CG-CB 3.95Å; P267-P324 WeakPolarHBondContact O-CA 3.45Å; P267-P324 WeakPolarHBondContact O-CB 3.41Å; P267-F325 PolarHBondContact O-N 2.9Å
268I95.6Very high94Very high0 Ų034.2 Ų34.20%019%0.191CC..EExtended strand (participates in β ladder)trans-123.5121.8-178.8-64.4-178.9000108.7L141 L238 Y239 F240 I241 V266 A270 F325 V327 L364L141-I268 HydrophobicContact CD2-CD1 3.92Å; L238-I268 HydrophobicContact CB-CD1 3.87Å; L238-I268 HydrophobicContact CD1-CD1 3.96Å; L238-I268 HydrophobicContact CD2-CD1 4.09Å; L238-I268 HydrophobicContact CG-CD1 4.17Å; Y239-I268 PolarHBondContact O-N 2.86Å; F240-I268 HydrophobicContact CD1-CG2 4.4Å; F240-I268 HydrophobicContact CE1-CG2 4.4Å; F240-I268 HydrophobicContact CE2-CD1 4.29Å; F240-I268 HydrophobicContact CZ-CD1 4.37Å; I241-I268 WeakPolarHBondContact CA-O 3.46Å; I241-I268 PolarHBondContact N-O 3.44Å; V266-I268 HydrophobicContact CG1-CG1 4.46Å; I268-A270 PolarHBondContact O-N 3.16Å; I268-F325 CarbonylContact C-O 3.42Å; I268-F325 WeakPolarHBondContact CA-O 3.4Å; I268-V327 HydrophobicContact CG2-CB 4.3Å; I268-V327 HydrophobicContact CG2-CG1 4.2Å; I268-V327 HydrophobicContact CG2-CG2 3.24Å; I268-L364 HydrophobicContact CD1-CD1 4.25Å; I268-L364 HydrophobicContact CD1-CD2 3.67Å; I268-L364 HydrophobicContact CG1-CD2 4.42Å
269L95.5Very high94.1Very high0 Ų036.8 Ų36.80%020%0.2CC..EExtended strand (participates in β ladder)trans-78.1111.7168.6179.665.6000109.3L275 V280 K283 F325 A326 V327L269-L275 HydrophobicContact CD1-CD1 4.45Å; L269-L275 HydrophobicContact CD2-CD1 3.92Å; L269-L275 HydrophobicContact CG-CD1 4.48Å; L269-V280 HydrophobicContact CD2-CG1 4.21Å; L269-K283 HydrophobicContact CD1-CD 3.87Å; L269-K283 HydrophobicContact CD1-CG 4.36Å; L269-K283 HydrophobicContact CD2-CD 4.42Å; L269-K283 HydrophobicContact CD2-CG 4.43Å; L269-F325 PolarHBondContact N-O 2.92Å; L269-A326 HydrophobicContact CB-CB 4.32Å; L269-A326 HydrophobicContact CD2-CB 4.2Å; L269-V327 PolarHBondContact O-N 3.32Å
270A94.6Very high94.1Very high1 Ų137.5 Ų37.51%0.00821%0.205CC..  trans-80.5155.5-17700000112.1L136 F240 I241 P243 I268 A272L136-A270 HydrophobicContact CB-CB 3.85Å; L136-A270 HydrophobicContact CD1-CB 4.39Å; L136-A270 HydrophobicContact CD2-CB 4.24Å; L136-A270 HydrophobicContact CG-CB 4.39Å; F240-A270 HydrophobicContact CD1-CB 3.99Å; I241-A270 VanDerWaalsContact O-CB 3.24Å; I241-A270 WeakPolarHBondContact O-CB 3.48Å; I241-A270 PolarHBondContact O-N 2.81Å; P243-A270 WeakPolarHBondContact CB-O 3.4Å; I268-A270 PolarHBondContact O-N 3.16Å; A270-A272 VanDerWaalsContact C-N 3.33Å; A270-A272 PolarHBondContact O-N 2.94Å
271K93.1Very high94.1Very high62 Ų6240.7 Ų40.727%0.2722%0.223SC..  trans48.552177.2-57.8-179.5177.7172.40112.4G135 P243 D273 T274 V327G135-K271 WeakPolarHBondContact O-CE 3.44Å; G135-K271 PolarHBondContact O-NZ 2.87Å; P243-K271 HydrophobicContact CG-CB 4.08Å; P243-K271 HydrophobicContact CG-CD 4.49Å; K271-D273 VanDerWaalsContact CA-OD1 3.25Å; K271-D273 WeakPolarHBondContact CA-OD1 3.37Å; K271-D273 PolarHBondContact O-N 3.05Å; K271-T274 HydrophobicContact CB-CG2 4.16Å; K271-T274 PolarHBondContact O-N 2.98Å; K271-T274 PolarHBondContact O-OG1 2.91Å; K271-V327 PolarHBondContact N-O 3.01Å
272A92.6Very high94.2Very high7 Ų742.8 Ų42.86%0.05823%0.225CC..G310 helixtrans-59.3-20179.600000113.1A270 T274 L275 A326 V327 I328A270-A272 VanDerWaalsContact C-N 3.33Å; A270-A272 PolarHBondContact O-N 2.94Å; A272-T274 PolarHBondContact O-N 3.14Å; A272-L275 PolarHBondContact O-N 2.78Å; A272-L275 VanDerWaalsContact O-N 3.14Å; A272-L275 VanDerWaalsContact O-O 3.11Å; A272-A326 HydrophobicContact CB-CB 3.88Å; A272-V327 PolarHBondContact N-O 2.68Å; A272-I328 HydrophobicContact CB-CD1 4.4Å; A272-I328 HydrophobicContact CB-CG1 3.91Å
273D92.5Very high94.3Very high39 Ų3940.1 Ų40.121%0.20922%0.216CC..G310 helixtrans-63.6-18.3173.653.8-34.6000114.5K271 L275 I328 R344 Y346 V351K271-D273 VanDerWaalsContact CA-OD1 3.25Å; K271-D273 WeakPolarHBondContact CA-OD1 3.37Å; K271-D273 PolarHBondContact O-N 3.05Å; D273-L275 VanDerWaalsContact C-N 3.29Å; D273-I328 HydrophobicContact CB-CD1 3.84Å; D273-I328 HydrophobicContact CB-CG1 4.19Å; D273-I328 HydrophobicContact CB-CG2 4.41Å; D273-R344 IonicContact OD1-NH1 2.8Å; D273-R344 WeakPolarHBondContact OD2-CD 3.24Å; D273-R344 IonicContact OD2-CZ 3.72Å; D273-R344 IonicContact OD2-NH1 3.33Å; D273-R344 PolarHBondContact OD2-NH1 2.86Å; D273-Y346 PolarHBondContact OD2-OH 3.16Å; D273-V351 HydrophobicContact CB-CG1 4.47Å
274T92.6Very high94.3Very high67 Ų6740.8 Ų40.841%0.41122%0.218SC..G310 helixtrans-84-5.9175.665.80000113.5K271 A272K271-T274 HydrophobicContact CB-CG2 4.16Å; K271-T274 PolarHBondContact O-N 2.98Å; K271-T274 PolarHBondContact O-OG1 2.91Å; A272-T274 PolarHBondContact O-N 3.14Å
275L93.4Very high94.2Very high36 Ų3642.8 Ų42.819%0.18823%0.233CC..SBendtrans-118.7143-176.3-61.5173.6000109.3P243 L269 A272 D273 E279 V280 K283P243-L275 HydrophobicContact CB-CD1 4.16Å; P243-L275 HydrophobicContact CB-CG 4.39Å; L269-L275 HydrophobicContact CD1-CD1 4.45Å; L269-L275 HydrophobicContact CD2-CD1 3.92Å; L269-L275 HydrophobicContact CG-CD1 4.48Å; A272-L275 PolarHBondContact O-N 2.78Å; A272-L275 VanDerWaalsContact O-N 3.14Å; A272-L275 VanDerWaalsContact O-O 3.11Å; D273-L275 VanDerWaalsContact C-N 3.29Å; L275-E279 HydrophobicContact CB-CB 4.25Å; L275-E279 HydrophobicContact CD2-CB 4.43Å; L275-V280 HydrophobicContact CB-CG2 3.62Å; L275-V280 HydrophobicContact CD1-CG2 4.2Å; L275-K283 HydrophobicContact CD1-CD 4.16Å
276T93.3Very high94.2Very high72 Ų7246.4 Ų46.444%0.44225%0.248SC..  trans-70.1155.5168.259.60000110.4S278 E279 V280T276-S278 VanDerWaalsContact C-N 3.26Å; T276-S278 PolarHBondContact O-N 3.01Å; T276-E279 WeakPolarHBondContact CB-OE2 3.35Å; T276-E279 PolarHBondContact N-OE2 3.39Å; T276-E279 WeakPolarHBondContact O-CA 3.23Å; T276-E279 WeakPolarHBondContact O-CB 3.43Å; T276-E279 PolarHBondContact O-N 3.31Å; T276-E279 WeakPolarHBondContact OG1-CB 3.41Å; T276-E279 WeakPolarHBondContact OG1-CG 3.41Å; T276-E279 PolarHBondContact OG1-N 3.32Å; T276-E279 PolarHBondContact OG1-OE2 2.81Å; T276-V280 PolarHBondContact O-N 2.79Å
277P92.2Very high94.2Very high100 Ų10046.4 Ų46.465%0.64925%0.248SC*.Hα-helixtrans-53-42.5178.7-28.435.7000113.2E279 V280 D281P277-E279 VanDerWaalsContact C-N 3.31Å; P277-E279 PolarHBondContact O-N 2.81Å; P277-V280 WeakPolarHBondContact O-CB 3.16Å; P277-V280 PolarHBondContact O-N 3.12Å; P277-D281 PolarHBondContact O-N 2.98Å
278S94.7Very high94.1Very high94 Ų9451.2 Ų51.266%0.65727%0.267SS*.Hα-helixtrans-64-33.5176.1-50.80000113.4T276 R282T276-S278 VanDerWaalsContact C-N 3.26Å; T276-S278 PolarHBondContact O-N 3.01Å; S278-R282 WeakPolarHBondContact O-CB 3.42Å; S278-R282 PolarHBondContact O-N 2.94Å; S278-R282 VanDerWaalsContact O-N 3.12Å
279E94.6Very high94Very high71 Ų7157.2 Ų57.233%0.33229%0.294SS..Hα-helixtrans-73.5-36.8174.6-73.6168.3142.900112.3L275 T276 P277 K283L275-E279 HydrophobicContact CB-CB 4.25Å; L275-E279 HydrophobicContact CD2-CB 4.43Å; T276-E279 WeakPolarHBondContact CB-OE2 3.35Å; T276-E279 PolarHBondContact N-OE2 3.39Å; T276-E279 WeakPolarHBondContact O-CA 3.23Å; T276-E279 WeakPolarHBondContact O-CB 3.43Å; T276-E279 PolarHBondContact O-N 3.31Å; T276-E279 WeakPolarHBondContact OG1-CB 3.41Å; T276-E279 WeakPolarHBondContact OG1-CG 3.41Å; T276-E279 PolarHBondContact OG1-N 3.32Å; T276-E279 PolarHBondContact OG1-OE2 2.81Å; P277-E279 VanDerWaalsContact C-N 3.31Å; P277-E279 PolarHBondContact O-N 2.81Å; E279-K283 WeakPolarHBondContact O-CB 2.88Å; E279-K283 PolarHBondContact O-N 2.74Å
280V94.3Very high94Very high15 Ų1559 Ų599%0.09130%0.303CS..Hα-helixtrans-59.1-50.3173.3171.80000109.5L269 L275 T276 P277 R282 K283 K284 A326L269-V280 HydrophobicContact CD2-CG1 4.21Å; L275-V280 HydrophobicContact CB-CG2 3.62Å; L275-V280 HydrophobicContact CD1-CG2 4.2Å; T276-V280 PolarHBondContact O-N 2.79Å; P277-V280 WeakPolarHBondContact O-CB 3.16Å; P277-V280 PolarHBondContact O-N 3.12Å; V280-R282 PolarHBondContact O-N 3.34Å; V280-K283 CarbonylContact O-C 3.58Å; V280-K283 PolarHBondContact O-N 2.88Å; V280-K283 VanDerWaalsContact O-N 3.15Å; V280-K284 HydrophobicContact CG1-CD 4.13Å; V280-K284 HydrophobicContact CG1-CG 4.27Å; V280-K284 WeakPolarHBondContact O-CB 3.34Å; V280-K284 WeakPolarHBondContact O-CG 3.45Å; V280-K284 PolarHBondContact O-N 2.79Å; V280-A326 HydrophobicContact CG1-CB 3.64Å
281D93.5Very high94Very high94 Ų9459.5 Ų59.550%0.50331%0.305SS..Hα-helixtrans-62.2-46.5-179.7-67.1-29.2000112P277 K283 K284 C285P277-D281 PolarHBondContact O-N 2.98Å; D281-K283 VanDerWaalsContact C-N 3.26Å; D281-K283 PolarHBondContact O-N 2.84Å; D281-K284 PolarHBondContact O-N 2.58Å; D281-C285 PolarHBondContact O-N 2.88Å; D281-C285 PolarHBondContact O-SG 3.2Å; D281-C285 VanDerWaalsContact O-SG 3.39Å
282R95.1Very high94.1Very high167 Ų16764.2 Ų64.263%0.6333%0.328SS*.Hα-helixtrans-57.4-42.1174.8-176.2177.765.4174.8-3.8111.5S278 V280 K286S278-R282 WeakPolarHBondContact O-CB 3.42Å; S278-R282 PolarHBondContact O-N 2.94Å; S278-R282 VanDerWaalsContact O-N 3.12Å; V280-R282 PolarHBondContact O-N 3.34Å; R282-K286 PolarHBondContact O-N 2.74Å; R282-K286 VanDerWaalsContact O-N 3.1Å
283K94.7Very high94.2Very high12 Ų1271.2 Ų71.25%0.05236%0.359CS..Hα-helixtrans-70.9-39.5179.9-175155.9-178.9156.20112S242 P243 G245 L269 L275 E279 V280 D281 K286 I287S242-K283 WeakPolarHBondContact O-CE 3.47Å; S242-K283 PolarHBondContact O-NZ 3.48Å; P243-K283 PolarHBondContact O-NZ 3.47Å; G245-K283 PolarHBondContact O-NZ 2.58Å; L269-K283 HydrophobicContact CD1-CD 3.87Å; L269-K283 HydrophobicContact CD1-CG 4.36Å; L269-K283 HydrophobicContact CD2-CD 4.42Å; L269-K283 HydrophobicContact CD2-CG 4.43Å; L275-K283 HydrophobicContact CD1-CD 4.16Å; E279-K283 WeakPolarHBondContact O-CB 2.88Å; E279-K283 PolarHBondContact O-N 2.74Å; V280-K283 CarbonylContact O-C 3.58Å; V280-K283 PolarHBondContact O-N 2.88Å; V280-K283 VanDerWaalsContact O-N 3.15Å; D281-K283 VanDerWaalsContact C-N 3.26Å; D281-K283 PolarHBondContact O-N 2.84Å; K283-K286 PolarHBondContact O-N 2.92Å; K283-I287 HydrophobicContact CG-CD1 3.81Å; K283-I287 HydrophobicContact CG-CG1 4.39Å; K283-I287 WeakPolarHBondContact O-CB 3.25Å; K283-I287 VanDerWaalsContact O-CG1 3.25Å; K283-I287 WeakPolarHBondContact O-CG1 3.39Å; K283-I287 PolarHBondContact O-N 2.96Å
284K94.4Very high94.3Very high14 Ų1473.4 Ų73.46%0.06137%0.367CS..Hα-helixtrans-59.2-46.9173.2-74.4-176.9177.3-167.60111.2V280 D281 I287 R288 S322 P324 D360V280-K284 HydrophobicContact CG1-CD 4.13Å; V280-K284 HydrophobicContact CG1-CG 4.27Å; V280-K284 WeakPolarHBondContact O-CB 3.34Å; V280-K284 WeakPolarHBondContact O-CG 3.45Å; V280-K284 PolarHBondContact O-N 2.79Å; D281-K284 PolarHBondContact O-N 2.58Å; K284-I287 PolarHBondContact O-N 3.21Å; K284-R288 WeakPolarHBondContact O-CG 3.44Å; K284-R288 PolarHBondContact O-N 2.96Å; K284-S322 PolarHBondContact NZ-O 3.39Å; K284-P324 HydrophobicContact CB-CG 4.39Å; K284-P324 WeakPolarHBondContact CE-O 3.26Å; K284-P324 HydrophobicContact CG-CG 4.04Å; K284-D360 IonicContact NZ-OD2 2.89Å; K284-D360 PolarHBondContact NZ-OD2 3.48Å
285C94.7Very high94.4Very high48 Ų4872.6 Ų72.632%0.32437%0.372SS..Hα-helixtrans-58.1-50.1176.7-69.70000111.8D281 I287 R288 E289D281-C285 PolarHBondContact O-N 2.88Å; D281-C285 PolarHBondContact O-SG 3.2Å; D281-C285 VanDerWaalsContact O-SG 3.39Å; C285-I287 PolarHBondContact O-N 3.32Å; C285-R288 WeakPolarHBondContact O-CB 3.32Å; C285-R288 PolarHBondContact O-N 3.03Å; C285-R288 VanDerWaalsContact O-N 3.16Å; C285-R288 PolarHBondContact SG-NH2 3.43Å; C285-E289 WeakPolarHBondContact O-CG 3.09Å; C285-E289 PolarHBondContact O-N 2.85Å
286K95Very high94.4Very high76 Ų7671.4 Ų71.433%0.3337%0.366SS..Hα-helixtrans-64.2-38.4179.7-178.7148.8166.3-164.10113.6H246 R282 K283 R288 E289 E290H246-K286 WeakPolarHBondContact O-CD 3.3Å; H246-K286 WeakPolarHBondContact O-CE 3.4Å; H246-K286 PolarHBondContact O-NZ 3.21Å; R282-K286 PolarHBondContact O-N 2.74Å; R282-K286 VanDerWaalsContact O-N 3.1Å; K283-K286 PolarHBondContact O-N 2.92Å; K286-R288 VanDerWaalsContact C-N 3.34Å; K286-E289 PolarHBondContact O-N 3.12Å; K286-E290 WeakPolarHBondContact CE-OE1 3.35Å; K286-E290 HydrophobicContact CG-CG 4.46Å; K286-E290 WeakPolarHBondContact CG-OE1 3.18Å; K286-E290 IonicContact NZ-OE1 2.86Å; K286-E290 WeakPolarHBondContact O-CB 3.35Å; K286-E290 WeakPolarHBondContact O-CG 3.35Å; K286-E290 PolarHBondContact O-N 3.06Å
287I95.3Very high94.3Very high0 Ų074.7 Ų74.70%037%0.374CS..Hα-helixtrans-62.1-44.2174.2-70.7164.9000110.3I241 L248 K283 K284 C285 E290 I291 P324I241-I287 HydrophobicContact CD1-CD1 4.2Å; I241-I287 HydrophobicContact CD1-CG2 4.13Å; L248-I287 HydrophobicContact CD2-CG1 4.2Å; L248-I287 HydrophobicContact CD2-CG2 3.98Å; L248-I287 HydrophobicContact CG-CG1 4.39Å; L248-I287 HydrophobicContact CG-CG2 4.27Å; K283-I287 HydrophobicContact CG-CD1 3.81Å; K283-I287 HydrophobicContact CG-CG1 4.39Å; K283-I287 WeakPolarHBondContact O-CB 3.25Å; K283-I287 VanDerWaalsContact O-CG1 3.25Å; K283-I287 WeakPolarHBondContact O-CG1 3.39Å; K283-I287 PolarHBondContact O-N 2.96Å; K284-I287 PolarHBondContact O-N 3.21Å; C285-I287 PolarHBondContact O-N 3.32Å; I287-E290 PolarHBondContact O-N 2.97Å; I287-I291 HydrophobicContact CG2-CD1 3.66Å; I287-I291 HydrophobicContact CG2-CG1 4.24Å; I287-I291 WeakPolarHBondContact O-CB 3.43Å; I287-I291 VanDerWaalsContact O-CG1 3.22Å; I287-I291 WeakPolarHBondContact O-CG1 3.36Å; I287-I291 PolarHBondContact O-N 3.31Å; I287-P324 HydrophobicContact CB-CG 4.19Å; I287-P324 HydrophobicContact CD1-CG 4.09Å; I287-P324 HydrophobicContact CG2-CG 3.94Å
288R94.2Very high94.3Very high101 Ų10171.6 Ų71.638%0.38135%0.352SS..Hα-helixtrans-60.5-46.7177.3-75.8-175.4-99101.2-2.4111.9K284 C285 K286 E290 I291 E292 I323K284-R288 WeakPolarHBondContact O-CG 3.44Å; K284-R288 PolarHBondContact O-N 2.96Å; C285-R288 WeakPolarHBondContact O-CB 3.32Å; C285-R288 PolarHBondContact O-N 3.03Å; C285-R288 VanDerWaalsContact O-N 3.16Å; C285-R288 PolarHBondContact SG-NH2 3.43Å; K286-R288 VanDerWaalsContact C-N 3.34Å; R288-E290 VanDerWaalsContact C-N 3.34Å; R288-E290 PolarHBondContact O-N 3.24Å; R288-I291 PolarHBondContact O-N 3.47Å; R288-E292 PolarHBondContact O-N 2.95Å; R288-E292 VanDerWaalsContact O-N 3.07Å; R288-I323 WeakPolarHBondContact CD-O 3.48Å; R288-I323 PolarHBondContact NE-O 3.25Å
289E95Very high94.1Very high125 Ų12567.5 Ų67.558%0.58432%0.322SS*.Hα-helixtrans-58.5-44.1176.1-71.5167.5-164.900112C285 K286 E292 H293C285-E289 WeakPolarHBondContact O-CG 3.09Å; C285-E289 PolarHBondContact O-N 2.85Å; K286-E289 PolarHBondContact O-N 3.12Å; E289-E292 PolarHBondContact O-N 2.96Å; E289-H293 VanDerWaalsContact O-CB 3.23Å; E289-H293 WeakPolarHBondContact O-CB 3.35Å; E289-H293 PolarHBondContact O-N 2.92Å
290E95.4Very high93.6Very high38 Ų3871.4 Ų71.418%0.17834%0.34CS..Hα-helixtrans-70.5-39.2179.9-72.6176.1-16900112.3L248 K286 I287 R288 E292 H293 F294L248-E290 WeakPolarHBondContact CA-OE2 3.29Å; L248-E290 WeakPolarHBondContact CB-OE2 3.44Å; L248-E290 HydrophobicContact CD1-CB 4.08Å; L248-E290 HydrophobicContact CG-CB 4.41Å; L248-E290 PolarHBondContact N-OE2 3.3Å; K286-E290 WeakPolarHBondContact CE-OE1 3.35Å; K286-E290 HydrophobicContact CG-CG 4.46Å; K286-E290 WeakPolarHBondContact CG-OE1 3.18Å; K286-E290 IonicContact NZ-OE1 2.86Å; K286-E290 WeakPolarHBondContact O-CB 3.35Å; K286-E290 WeakPolarHBondContact O-CG 3.35Å; K286-E290 PolarHBondContact O-N 3.06Å; I287-E290 PolarHBondContact O-N 2.97Å; R288-E290 VanDerWaalsContact C-N 3.34Å; R288-E290 PolarHBondContact O-N 3.24Å; E290-E292 VanDerWaalsContact C-N 3.3Å; E290-E292 PolarHBondContact O-N 3.12Å; E290-H293 PolarHBondContact O-N 3.32Å; E290-F294 HydrophobicContact CB-CD2 4.34Å; E290-F294 HydrophobicContact CB-CE2 4.29Å; E290-F294 WeakPolarHBondContact O-CD2 3.44Å; E290-F294 PolarHBondContact O-N 3.27Å
291I94.8Very high93.1Very high11 Ų1171.2 Ų71.26%0.05634%0.338CS..Hα-helixtrans-57.3-46.2174-72.1172.1000110.4L248 M256 P267 I287 R288 G295 I296 I298L248-I291 HydrophobicContact CD1-CG1 3.85Å; M256-I291 HydrophobicContact CE-CD1 4.05Å; M256-I291 HydrophobicContact CE-CG1 4.24Å; P267-I291 HydrophobicContact CG-CD1 4.39Å; I287-I291 HydrophobicContact CG2-CD1 3.66Å; I287-I291 HydrophobicContact CG2-CG1 4.24Å; I287-I291 WeakPolarHBondContact O-CB 3.43Å; I287-I291 VanDerWaalsContact O-CG1 3.22Å; I287-I291 WeakPolarHBondContact O-CG1 3.36Å; I287-I291 PolarHBondContact O-N 3.31Å; R288-I291 PolarHBondContact O-N 3.47Å; I291-G295 PolarHBondContact O-N 3.41Å; I291-I296 HydrophobicContact CG2-CB 4.14Å; I291-I296 WeakPolarHBondContact CG2-O 3.37Å; I291-I296 PolarHBondContact O-N 3.27Å; I291-I298 HydrophobicContact CD1-CD1 4.3Å; I291-I298 HydrophobicContact CD1-CG2 4.15Å; I291-I298 HydrophobicContact CG2-CD1 4.42Å; I291-I298 HydrophobicContact CG2-CG1 4.4Å; I291-I298 HydrophobicContact CG2-CG2 4.03Å
292E94Very high92.5Very high161 Ų16169.2 Ų69.275%0.75233%0.33SS*.Hα-helixtrans-66.7-46.2177.7-173.6174.8-169.100111.4R288 E289 E290 F294 G295R288-E292 PolarHBondContact O-N 2.95Å; R288-E292 VanDerWaalsContact O-N 3.07Å; E289-E292 PolarHBondContact O-N 2.96Å; E290-E292 VanDerWaalsContact C-N 3.3Å; E290-E292 PolarHBondContact O-N 3.12Å; E292-F294 VanDerWaalsContact C-N 3.31Å; E292-F294 PolarHBondContact O-N 3.13Å; E292-G295 PolarHBondContact O-N 2.9Å
293H95.9Very high91.8Very high154 Ų15467.6 Ų67.671%0.71333%0.334SS*.Hα-helixtrans-58.4-40.6179.3-176.270.6000113E289 E290 G295E289-H293 VanDerWaalsContact O-CB 3.23Å; E289-H293 WeakPolarHBondContact O-CB 3.35Å; E289-H293 PolarHBondContact O-N 2.92Å; E290-H293 PolarHBondContact O-N 3.32Å; H293-G295 VanDerWaalsContact C-N 3.31Å
294F94.2Very high90.9Very high85 Ų8569 Ų6937%0.37335%0.345SS..THydrogen-bonded Turntrans-82.7-5.7177.2-69.1-63.6000113.8V253 E290 E292 I296V253-F294 HydrophobicContact CB-CD2 4.36Å; V253-F294 HydrophobicContact CB-CE2 4.41Å; V253-F294 HydrophobicContact CG1-CB 4.15Å; V253-F294 HydrophobicContact CG1-CD1 3.78Å; V253-F294 HydrophobicContact CG1-CD2 3.6Å; V253-F294 HydrophobicContact CG1-CE1 4.04Å; V253-F294 HydrophobicContact CG1-CE2 3.9Å; V253-F294 HydrophobicContact CG1-CG 3.57Å; V253-F294 HydrophobicContact CG1-CZ 4.11Å; V253-F294 HydrophobicContact CG2-CD2 3.74Å; V253-F294 HydrophobicContact CG2-CE2 3.58Å; V253-F294 HydrophobicContact CG2-CZ 4.24Å; E290-F294 HydrophobicContact CB-CD2 4.34Å; E290-F294 HydrophobicContact CB-CE2 4.29Å; E290-F294 WeakPolarHBondContact O-CD2 3.44Å; E290-F294 PolarHBondContact O-N 3.27Å; E292-F294 VanDerWaalsContact C-N 3.31Å; E292-F294 PolarHBondContact O-N 3.13Å; F294-I296 VanDerWaalsContact C-N 3.34Å; F294-I296 HydrophobicContact CB-CD1 3.85Å; F294-I296 HydrophobicContact CB-CG1 3.95Å
295G93.4Very high90.1Very high50 Ų5073.4 Ų73.452%0.51537%0.369SS..THydrogen-bonded Turntrans6831-179.200000113.6I291 E292 H293I291-G295 PolarHBondContact O-N 3.41Å; E292-G295 PolarHBondContact O-N 2.9Å; H293-G295 VanDerWaalsContact C-N 3.31Å
296I93.6Very high89.3Confident11 Ų1176.6 Ų76.66%0.05639%0.392CS..  trans-80.4127.6-178.8-64.1166.2000108.7V253 M256 K257 H260 I291 F294 I298V253-I296 HydrophobicContact CG1-CD1 4.26Å; M256-I296 HydrophobicContact CB-CD1 3.99Å; M256-I296 HydrophobicContact CB-CG2 3.81Å; M256-I296 HydrophobicContact CE-CG2 4.15Å; K257-I296 HydrophobicContact CB-CG1 4.27Å; H260-I296 HydrophobicContact CB-CG2 4.2Å; I291-I296 HydrophobicContact CG2-CB 4.14Å; I291-I296 WeakPolarHBondContact CG2-O 3.37Å; I291-I296 PolarHBondContact O-N 3.27Å; F294-I296 VanDerWaalsContact C-N 3.34Å; F294-I296 HydrophobicContact CB-CD1 3.85Å; F294-I296 HydrophobicContact CB-CG1 3.95Å; I296-I298 HydrophobicContact CG2-CG2 4.26Å; I296-I298 PolarHBondContact O-N 3.1Å
297K91.1Very high88.7Confident142 Ų14279.5 Ų79.562%0.61741%0.411SS*.  trans-90.598178.7-65.3-174178.6-173.20109.2H260H260-K297 HydrophobicContact CB-CB 4.22Å; H260-K297 WeakPolarHBondContact CB-O 3.35Å; H260-K297 PolarHBondContact ND1-N 2.64Å
298I92.3Very high88.1Confident34 Ų3482.5 Ų82.517%0.17443%0.425CS..  trans-82.8167.6168.860.8171.8000110.2M256 P267 I291 I296 Q300 I323M256-I298 HydrophobicContact CE-CG2 3.67Å; P267-I298 HydrophobicContact CG-CD1 4.32Å; P267-I298 HydrophobicContact CG-CG2 4.47Å; I291-I298 HydrophobicContact CD1-CD1 4.3Å; I291-I298 HydrophobicContact CD1-CG2 4.15Å; I291-I298 HydrophobicContact CG2-CD1 4.42Å; I291-I298 HydrophobicContact CG2-CG1 4.4Å; I291-I298 HydrophobicContact CG2-CG2 4.03Å; I296-I298 HydrophobicContact CG2-CG2 4.26Å; I296-I298 PolarHBondContact O-N 3.1Å; I298-Q300 PolarHBondContact O-N 3.18Å; I298-I323 HydrophobicContact CD1-CG2 3.88Å
299Y90.5Very high87.7Confident8 Ų883.7 Ų83.73%0.03144%0.439CS..  trans-56.5124.3171.9174.8-105.9000110N264 I265 F301 M367 H372 D375 L376 V379N264-Y299 HydrophobicContact CB-CD2 4.2Å; I265-Y299 PolarHBondContact O-N 2.91Å; I265-Y299 VanDerWaalsContact O-N 3.08Å; Y299-F301 AromaticContact CE1-CD1 3.99Å; Y299-F301 HydrophobicContact CE1-CD1 3.99Å; Y299-F301 HydrophobicContact CE1-CE1 4.17Å; Y299-F301 HydrophobicContact CE1-CG 4.35Å; Y299-M367 HydrophobicContact CD1-CE 3.55Å; Y299-M367 HydrophobicContact CE1-CE 3.58Å; Y299-H372 WeakPolarHBondContact OH-CB 3.24Å; Y299-D375 VanDerWaalsContact CE2-OD2 3.28Å; Y299-D375 WeakPolarHBondContact CE2-OD2 3.25Å; Y299-D375 VanDerWaalsContact CZ-OD2 3.26Å; Y299-D375 PolarHBondContact OH-OD2 2.89Å; Y299-L376 HydrophobicContact CD1-CD2 4.21Å; Y299-L376 HydrophobicContact CD2-CD2 3.51Å; Y299-L376 HydrophobicContact CE1-CD2 4.19Å; Y299-L376 HydrophobicContact CE2-CD2 3.51Å; Y299-L376 HydrophobicContact CE2-CG 4.12Å; Y299-L376 HydrophobicContact CG-CD2 3.87Å; Y299-V379 HydrophobicContact CE2-CG2 4.4Å
300Q84Confident87.4Confident154 Ų15484.3 Ų84.372%0.7244%0.442SS*.  trans-104.4127.4175.6-65.8-178.6-1.600107.2I298I298-Q300 PolarHBondContact O-N 3.18Å
301F84.2Confident86.9Confident10 Ų1088.8 Ų88.84%0.04447%0.467CS..PPolyproline II helixtrans-59.6135.8172.3-65.2-86.7000109.6Y299 L319 K320 I323 F325 M367 H372Y299-F301 AromaticContact CE1-CD1 3.99Å; Y299-F301 HydrophobicContact CE1-CD1 3.99Å; Y299-F301 HydrophobicContact CE1-CE1 4.17Å; Y299-F301 HydrophobicContact CE1-CG 4.35Å; F301-L319 HydrophobicContact CE1-CB 4.02Å; F301-L319 HydrophobicContact CE1-CD1 4.5Å; F301-L319 HydrophobicContact CE2-CB 4.49Å; F301-L319 HydrophobicContact CZ-CB 3.85Å; F301-K320 HydrophobicContact CD2-CB 3.97Å; F301-K320 HydrophobicContact CD2-CG 4.1Å; F301-K320 HydrophobicContact CE2-CB 4.3Å; F301-I323 HydrophobicContact CD2-CD1 4.1Å; F301-I323 HydrophobicContact CE2-CD1 3.2Å; F301-I323 HydrophobicContact CE2-CG1 3.81Å; F301-I323 HydrophobicContact CZ-CD1 3.8Å; F301-I323 HydrophobicContact CZ-CG1 4.3Å; F301-F325 HydrophobicContact CZ-CZ 4.17Å; F301-M367 HydrophobicContact CE1-CE 4.22Å; F301-M367 HydrophobicContact CE1-CG 3.67Å; F301-M367 HydrophobicContact CZ-CE 4.2Å; F301-M367 HydrophobicContact CZ-CG 3.9Å; F301-H372 AromaticContact CD1-CD2 3.43Å; F301-H372 VanDerWaalsContact CD1-CD2 3.43Å; F301-H372 WeakPolarHBondContact CD1-CD2 3.19Å; F301-H372 AromaticContact CD1-NE2 3.35Å; F301-H372 VanDerWaalsContact CD1-NE2 3.35Å; F301-H372 WeakPolarHBondContact CD1-NE2 3.37Å; F301-H372 AromaticContact CE1-CD2 3.35Å; F301-H372 WeakPolarHBondContact CE1-CD2 3.39Å; F301-H372 AromaticContact CE1-NE2 3.46Å; F301-H372 WeakPolarHBondContact CE1-NE2 3.43Å
302P81.9Confident86.4Confident53 Ų5391.3 Ų91.334%0.34448%0.478SS..PPolyproline II helixtrans-53.9147168.2-22.632.8000110.4D375P302-D375 WeakPolarHBondContact CD-OD2 3.37Å; P302-D375 HydrophobicContact CG-CB 4.27Å; P302-D375 WeakPolarHBondContact CG-OD1 3.47Å; P302-D375 VanDerWaalsContact CG-OD2 3.22Å; P302-D375 WeakPolarHBondContact CG-OD2 3.48Å
303D79.3Confident86.1Confident132 Ų13285.9 Ų85.971%0.70645%0.452SS*.PPolyproline II helixtrans-73.2130.8170.6-63.8-44.1000108.6K320D303-K320 IonicContact OD1-NZ 2.67Å; D303-K320 PolarHBondContact OD1-NZ 2.84Å
304C75.2Confident85.7Confident42 Ų4284.1 Ų84.128%0.28445%0.447SS..PPolyproline II helixtrans-57.6137.8175.9-72.80000111.7E308 K313C304-E308 WeakPolarHBondContact CA-OE2 3.45Å; C304-E308 WeakPolarHBondContact CB-OE2 3.3Å; C304-E308 PolarHBondContact SG-OE2 2.79Å; C304-K313 HydrophobicContact CB-CG 3.93Å
305D78.7Confident85.3Confident106 Ų10684.2 Ų84.257%0.56745%0.449SS*.PPolyproline II helixtrans-68.9150.8172.2-70.8-39.4000110.7D307 E308 K313D305-D307 WeakPolarHBondContact CB-OD1 3.34Å; D305-D307 PolarHBondContact O-N 3.17Å; D305-E308 HydrophobicContact CB-CG 4.14Å; D305-E308 WeakPolarHBondContact O-CB 3.26Å; D305-E308 PolarHBondContact O-N 3Å; D305-E308 VanDerWaalsContact O-N 3.15Å; D305-K313 WeakPolarHBondContact O-CE 3.28Å
306S76.6Confident85Confident115 Ų11582.4 Ų82.480%0.80443%0.427SS*.THydrogen-bonded Turntrans-65-25-173.761.20000113.6K313S306-K313 PolarHBondContact O-NZ 3.32Å
307D83.4Confident84.8Confident138 Ų13886.9 Ų86.974%0.73845%0.448SS*.THydrogen-bonded Turntrans-87.2-2.9179.560.5-33.7000113.9D305D305-D307 WeakPolarHBondContact CB-OD1 3.34Å; D305-D307 PolarHBondContact O-N 3.17Å
308E82.8Confident84.7Confident63 Ų6382.1 Ų82.129%0.29444%0.435SS..SBendtrans-70.3153.5173.5-66.1-17315500112.4C304 D305 F312 K313C304-E308 WeakPolarHBondContact CA-OE2 3.45Å; C304-E308 WeakPolarHBondContact CB-OE2 3.3Å; C304-E308 PolarHBondContact SG-OE2 2.79Å; D305-E308 HydrophobicContact CB-CG 4.14Å; D305-E308 WeakPolarHBondContact O-CB 3.26Å; D305-E308 PolarHBondContact O-N 3Å; D305-E308 VanDerWaalsContact O-N 3.15Å; E308-F312 HydrophobicContact CB-CD1 4.27Å; E308-F312 HydrophobicContact CG-CD1 4.5Å; E308-F312 WeakPolarHBondContact OE2-CD1 3.47Å; E308-F312 WeakPolarHBondContact OE2-CE1 3.31Å; E308-K313 WeakPolarHBondContact O-CE 3.49Å; E308-K313 PolarHBondContact O-NZ 3.44Å
309D86.1Confident84.6Confident126 Ų12680.7 Ų80.767%0.67443%0.428SS*.  trans-59139.7179.2-63.1-41.9000111.7D311 F312 K313D309-D311 PolarHBondContact O-N 3.27Å; D309-F312 HydrophobicContact CB-CB 4.25Å; D309-F312 WeakPolarHBondContact O-CB 3.23Å; D309-F312 PolarHBondContact O-N 2.88Å; D309-K313 PolarHBondContact O-N 3.08Å
310E87.7Confident84.5Confident137 Ų13785.2 Ų85.264%0.6445%0.447SS*.Hα-helixtrans-59.5-34.2179.1-66.3-62.9121.600112.3F312 K313 L314E310-F312 VanDerWaalsContact C-N 3.33Å; E310-F312 PolarHBondContact O-N 3.4Å; E310-K313 PolarHBondContact O-N 2.8Å; E310-K313 IonicContact OE1-NZ 2.58Å; E310-K313 PolarHBondContact OE1-NZ 3.25Å; E310-L314 PolarHBondContact O-N 2.69Å
311D85.3Confident84.8Confident132 Ų13283.9 Ų83.971%0.70644%0.441SS*.Hα-helixtrans-66.1-36.1175.4-70.2-28.3000112.1D309 Q315D309-D311 PolarHBondContact O-N 3.27Å; D311-Q315 WeakPolarHBondContact O-CB 3.46Å; D311-Q315 PolarHBondContact O-N 3.31Å; D311-Q315 VanDerWaalsContact O-N 3.07Å
312F85.1Confident85.1Confident64 Ų6483.8 Ų83.828%0.28144%0.442SS..Hα-helixtrans-69.5-44.8176.7-176.5-96.6000110.8E308 D309 E310 L314 Q315 D316 T371E308-F312 HydrophobicContact CB-CD1 4.27Å; E308-F312 HydrophobicContact CG-CD1 4.5Å; E308-F312 WeakPolarHBondContact OE2-CD1 3.47Å; E308-F312 WeakPolarHBondContact OE2-CE1 3.31Å; D309-F312 HydrophobicContact CB-CB 4.25Å; D309-F312 WeakPolarHBondContact O-CB 3.23Å; D309-F312 PolarHBondContact O-N 2.88Å; E310-F312 VanDerWaalsContact C-N 3.33Å; E310-F312 PolarHBondContact O-N 3.4Å; F312-L314 VanDerWaalsContact C-N 3.33Å; F312-L314 PolarHBondContact O-N 2.8Å; F312-Q315 WeakPolarHBondContact O-CB 3.36Å; F312-Q315 PolarHBondContact O-N 2.86Å; F312-Q315 VanDerWaalsContact O-N 3.16Å; F312-D316 PolarHBondContact O-N 3.2Å; F312-T371 HydrophobicContact CE2-CG2 4.15Å
313K86.4Confident85.5Confident47 Ų4781.9 Ų81.920%0.20443%0.429CS..Hα-helixtrans-57.4-44.7175.1-69.7172.2178137.80112.1C304 D305 S306 E308 D309 E310 Q315 D316 Q317C304-K313 HydrophobicContact CB-CG 3.93Å; D305-K313 WeakPolarHBondContact O-CE 3.28Å; S306-K313 PolarHBondContact O-NZ 3.32Å; E308-K313 WeakPolarHBondContact O-CE 3.49Å; E308-K313 PolarHBondContact O-NZ 3.44Å; D309-K313 PolarHBondContact O-N 3.08Å; E310-K313 PolarHBondContact O-N 2.8Å; E310-K313 IonicContact OE1-NZ 2.58Å; E310-K313 PolarHBondContact OE1-NZ 3.25Å; K313-Q315 VanDerWaalsContact C-N 3.33Å; K313-Q315 PolarHBondContact O-N 3.18Å; K313-D316 PolarHBondContact O-N 3.21Å; K313-Q317 WeakPolarHBondContact O-CB 3.39Å; K313-Q317 PolarHBondContact O-N 2.95Å
314L87.9Confident86.2Confident118 Ų11875.6 Ų75.662%0.61840%0.395SS*.Hα-helixtrans-65.9-37.8178.6-167.368.8000111.7E310 F312 A318E310-L314 PolarHBondContact O-N 2.69Å; F312-L314 VanDerWaalsContact C-N 3.33Å; F312-L314 PolarHBondContact O-N 2.8Å; L314-A318 WeakPolarHBondContact O-CB 3.43Å; L314-A318 PolarHBondContact O-N 3.35Å
315Q85.8Confident87.2Confident87 Ų8773.6 Ų73.641%0.40738%0.382SS..Hα-helixtrans-64.8-46.8174.6177.4169.174.100111.6D311 F312 K313 A318 L319D311-Q315 WeakPolarHBondContact O-CB 3.46Å; D311-Q315 PolarHBondContact O-N 3.31Å; D311-Q315 VanDerWaalsContact O-N 3.07Å; F312-Q315 WeakPolarHBondContact O-CB 3.36Å; F312-Q315 PolarHBondContact O-N 2.86Å; F312-Q315 VanDerWaalsContact O-N 3.16Å; K313-Q315 VanDerWaalsContact C-N 3.33Å; K313-Q315 PolarHBondContact O-N 3.18Å; Q315-A318 PolarHBondContact O-N 3.25Å; Q315-L319 HydrophobicContact CG-CD1 4.44Å; Q315-L319 WeakPolarHBondContact O-CG 3.22Å; Q315-L319 PolarHBondContact O-N 3.13Å
316D87Confident88Confident12 Ų1268.8 Ų68.86%0.06436%0.356CS..Hα-helixtrans-61.8-45179-172.674.6000111.6F312 K313 A318 L319 K320 H372F312-D316 PolarHBondContact O-N 3.2Å; K313-D316 PolarHBondContact O-N 3.21Å; D316-A318 VanDerWaalsContact C-N 3.31Å; D316-A318 PolarHBondContact O-N 2.87Å; D316-L319 WeakPolarHBondContact O-CA 3.48Å; D316-L319 WeakPolarHBondContact O-CB 3.25Å; D316-L319 PolarHBondContact O-N 3.3Å; D316-K320 PolarHBondContact O-N 3.33Å; D316-H372 IonicContact OD1-CE1 2.67Å; D316-H372 PolarHBondContact OD1-CE1 3.36Å; D316-H372 VanDerWaalsContact OD1-CE1 3.25Å; D316-H372 IonicContact OD1-NE2 3.68Å; D316-H372 PolarHBondContact OD1-NE2 2.73Å
317Q88.7Confident88.9Confident105 Ų10563.5 Ų63.549%0.49132%0.319SS..Hα-helixtrans-58.2-44.2174.9-175.7173.86.300111.9K313 L319 K320 E321K313-Q317 WeakPolarHBondContact O-CB 3.39Å; K313-Q317 PolarHBondContact O-N 2.95Å; Q317-L319 VanDerWaalsContact C-N 3.28Å; Q317-L319 PolarHBondContact O-N 3.02Å; Q317-K320 PolarHBondContact O-N 3.31Å; Q317-E321 WeakPolarHBondContact CG-OE1 3.43Å; Q317-E321 PolarHBondContact NE2-OE1 2.96Å; Q317-E321 VanDerWaalsContact NE2-OE1 3.1Å; Q317-E321 WeakPolarHBondContact O-CG 3.17Å; Q317-E321 PolarHBondContact O-N 3.3Å
318A89.1Confident89.4Confident41 Ų4157 Ų5734%0.33928%0.284SS..Hα-helixtrans-63.9-32.6176.500000112.5L314 Q315 D316 S322L314-A318 WeakPolarHBondContact O-CB 3.43Å; L314-A318 PolarHBondContact O-N 3.35Å; Q315-A318 PolarHBondContact O-N 3.25Å; D316-A318 VanDerWaalsContact C-N 3.31Å; D316-A318 PolarHBondContact O-N 2.87Å; A318-S322 VanDerWaalsContact O-CB 3.32Å; A318-S322 WeakPolarHBondContact O-CB 2.97Å; A318-S322 PolarHBondContact O-N 3.29Å; A318-S322 PolarHBondContact O-OG 2.92Å
319L90Very high89.6Confident5 Ų555 Ų553%0.02628%0.281CS..Hα-helixtrans-69.2-44.5173.3-66.9176.6000111.3F301 Q315 D316 Q317 E321 S322 F325 K363 M367F301-L319 HydrophobicContact CE1-CB 4.02Å; F301-L319 HydrophobicContact CE1-CD1 4.5Å; F301-L319 HydrophobicContact CE2-CB 4.49Å; F301-L319 HydrophobicContact CZ-CB 3.85Å; Q315-L319 HydrophobicContact CG-CD1 4.44Å; Q315-L319 WeakPolarHBondContact O-CG 3.22Å; Q315-L319 PolarHBondContact O-N 3.13Å; D316-L319 WeakPolarHBondContact O-CA 3.48Å; D316-L319 WeakPolarHBondContact O-CB 3.25Å; D316-L319 PolarHBondContact O-N 3.3Å; Q317-L319 VanDerWaalsContact C-N 3.28Å; Q317-L319 PolarHBondContact O-N 3.02Å; L319-E321 PolarHBondContact O-N 3.43Å; L319-S322 PolarHBondContact O-N 3.07Å; L319-S322 VanDerWaalsContact O-N 3.13Å; L319-F325 HydrophobicContact CD2-CE1 4.44Å; L319-K363 HydrophobicContact CD2-CB 3.65Å; L319-K363 HydrophobicContact CD2-CG 4.22Å; L319-K363 WeakPolarHBondContact CD2-O 3.39Å; L319-M367 HydrophobicContact CD1-CB 4.33Å; L319-M367 HydrophobicContact CD2-CB 4.36Å
320K89.1Confident89.7Confident102 Ų10249.3 Ų49.344%0.44325%0.251SS..Hα-helixtrans-59.1-46.3178.1-166.9168.5-173.5164.80112.1F301 D303 D316 Q317 S322 I323F301-K320 HydrophobicContact CD2-CB 3.97Å; F301-K320 HydrophobicContact CD2-CG 4.1Å; F301-K320 HydrophobicContact CE2-CB 4.3Å; D303-K320 IonicContact OD1-NZ 2.67Å; D303-K320 PolarHBondContact OD1-NZ 2.84Å; D316-K320 PolarHBondContact O-N 3.33Å; Q317-K320 PolarHBondContact O-N 3.31Å; K320-S322 VanDerWaalsContact C-N 3.25Å; K320-S322 PolarHBondContact O-N 3.18Å; K320-I323 PolarHBondContact O-N 2.8Å
321E89.7Confident89.4Confident127 Ų12747.8 Ų47.859%0.59325%0.247SC*.Hα-helixtrans-69-23.8177.5-69.5175.6-17100113.2Q317 L319 I323Q317-E321 WeakPolarHBondContact CG-OE1 3.43Å; Q317-E321 PolarHBondContact NE2-OE1 2.96Å; Q317-E321 VanDerWaalsContact NE2-OE1 3.1Å; Q317-E321 WeakPolarHBondContact O-CG 3.17Å; Q317-E321 PolarHBondContact O-N 3.3Å; L319-E321 PolarHBondContact O-N 3.43Å; E321-I323 VanDerWaalsContact C-N 3.33Å; E321-I323 PolarHBondContact O-N 3.48Å
322S90.6Very high89.4Confident8 Ų845.3 Ų45.36%0.05624%0.237CC..THydrogen-bonded Turntrans-80.5-10.2-178-640000113.9K284 A318 L319 K320 P324 F325 K363K284-S322 PolarHBondContact NZ-O 3.39Å; A318-S322 VanDerWaalsContact O-CB 3.32Å; A318-S322 WeakPolarHBondContact O-CB 2.97Å; A318-S322 PolarHBondContact O-N 3.29Å; A318-S322 PolarHBondContact O-OG 2.92Å; L319-S322 PolarHBondContact O-N 3.07Å; L319-S322 VanDerWaalsContact O-N 3.13Å; K320-S322 VanDerWaalsContact C-N 3.25Å; K320-S322 PolarHBondContact O-N 3.18Å; S322-P324 CarbonylContact O-C 3.6Å; S322-F325 PolarHBondContact O-N 2.7Å; S322-K363 WeakPolarHBondContact OG-CD 3.42Å; S322-K363 WeakPolarHBondContact OG-CE 3.41Å; S322-K363 PolarHBondContact OG-NZ 2.89Å
323I92Very high89.6Confident13 Ų1345.6 Ų45.67%0.06724%0.244CC..PPolyproline II helixtrans-72131.8175.4-68-168.4000110.6P267 R288 I298 F301 K320 E321 F325P267-I323 HydrophobicContact CG-CG2 3.93Å; R288-I323 WeakPolarHBondContact CD-O 3.48Å; R288-I323 PolarHBondContact NE-O 3.25Å; I298-I323 HydrophobicContact CD1-CG2 3.88Å; F301-I323 HydrophobicContact CD2-CD1 4.1Å; F301-I323 HydrophobicContact CE2-CD1 3.2Å; F301-I323 HydrophobicContact CE2-CG1 3.81Å; F301-I323 HydrophobicContact CZ-CD1 3.8Å; F301-I323 HydrophobicContact CZ-CG1 4.3Å; K320-I323 PolarHBondContact O-N 2.8Å; E321-I323 VanDerWaalsContact C-N 3.33Å; E321-I323 PolarHBondContact O-N 3.48Å; I323-F325 HydrophobicContact CD1-CE2 4.17Å; I323-F325 HydrophobicContact CG1-CD2 4.3Å; I323-F325 HydrophobicContact CG1-CE2 3.72Å; I323-F325 HydrophobicContact CG1-CZ 3.94Å
324P94Very high89.7Confident0 Ų044.3 Ų44.30%024%0.24CC..SBendcis-76.2141.7-2.831.8-35.8000112.7P267 K284 I287 S322 A326P267-P324 HydrophobicContact CB-CB 3.94Å; P267-P324 HydrophobicContact CG-CB 3.95Å; P267-P324 WeakPolarHBondContact O-CA 3.45Å; P267-P324 WeakPolarHBondContact O-CB 3.41Å; K284-P324 HydrophobicContact CB-CG 4.39Å; K284-P324 WeakPolarHBondContact CE-O 3.26Å; K284-P324 HydrophobicContact CG-CG 4.04Å; I287-P324 HydrophobicContact CB-CG 4.19Å; I287-P324 HydrophobicContact CD1-CG 4.09Å; I287-P324 HydrophobicContact CG2-CG 3.94Å; S322-P324 CarbonylContact O-C 3.6Å; P324-A326 PolarHBondContact O-N 3.4Å
325F95.5Very high89.6Confident0 Ų045.5 Ų45.50%024%0.242CC..EExtended strand (participates in β ladder)trans-67.8121-175.8-64.5-78.5000111.4V266 P267 I268 L269 F301 L319 S322 I323 V327 D360 K363 L364 M367V266-F325 HydrophobicContact CG1-CD2 3.82Å; V266-F325 HydrophobicContact CG1-CE2 3.87Å; P267-F325 PolarHBondContact O-N 2.9Å; I268-F325 CarbonylContact C-O 3.42Å; I268-F325 WeakPolarHBondContact CA-O 3.4Å; L269-F325 PolarHBondContact N-O 2.92Å; F301-F325 HydrophobicContact CZ-CZ 4.17Å; L319-F325 HydrophobicContact CD2-CE1 4.44Å; S322-F325 PolarHBondContact O-N 2.7Å; I323-F325 HydrophobicContact CD1-CE2 4.17Å; I323-F325 HydrophobicContact CG1-CD2 4.3Å; I323-F325 HydrophobicContact CG1-CE2 3.72Å; I323-F325 HydrophobicContact CG1-CZ 3.94Å; F325-V327 HydrophobicContact CB-CG1 4.08Å; F325-D360 HydrophobicContact CB-CB 4.38Å; F325-D360 HydrophobicContact CD1-CB 4.09Å; F325-K363 HydrophobicContact CD1-CB 4.27Å; F325-K363 HydrophobicContact CE1-CB 4.04Å; F325-L364 HydrophobicContact CB-CB 4.44Å; F325-L364 HydrophobicContact CB-CD1 4.45Å; F325-L364 HydrophobicContact CD1-CB 4.23Å; F325-L364 HydrophobicContact CD2-CD1 3.69Å; F325-L364 HydrophobicContact CE2-CD1 4.05Å; F325-L364 HydrophobicContact CG-CB 4.21Å; F325-L364 HydrophobicContact CG-CD1 4.02Å; F325-M367 HydrophobicContact CE2-CE 4.35Å; F325-M367 HydrophobicContact CE2-CG 4.34Å; F325-M367 HydrophobicContact CZ-CB 4.22Å; F325-M367 HydrophobicContact CZ-CG 3.95Å
326A95.6Very high89.5Confident4 Ų441.9 Ų41.93%0.03323%0.227CC..EExtended strand (participates in β ladder)trans-89.3108.5175.700000109.9L269 A272 V280 P324 C359 D360L269-A326 HydrophobicContact CB-CB 4.32Å; L269-A326 HydrophobicContact CD2-CB 4.2Å; A272-A326 HydrophobicContact CB-CB 3.88Å; V280-A326 HydrophobicContact CG1-CB 3.64Å; P324-A326 PolarHBondContact O-N 3.4Å; A326-C359 WeakPolarHBondContact O-CB 3.38Å; A326-D360 PolarHBondContact N-OD2 2.95Å; A326-D360 VanDerWaalsContact N-OD2 3.09Å; A326-D360 PolarHBondContact O-N 2.84Å
327V95Very high89.3Confident4 Ų452 Ų522%0.02426%0.264CS..  trans-123155.4-171.1-53.20000113.1L141 I268 L269 K271 A272 F325 L364L141-V327 HydrophobicContact CD1-CB 4.11Å; L141-V327 HydrophobicContact CD1-CG2 3.78Å; L141-V327 HydrophobicContact CD2-CG2 3.88Å; L141-V327 HydrophobicContact CG-CG2 4.48Å; I268-V327 HydrophobicContact CG2-CB 4.3Å; I268-V327 HydrophobicContact CG2-CG1 4.2Å; I268-V327 HydrophobicContact CG2-CG2 3.24Å; L269-V327 PolarHBondContact O-N 3.32Å; K271-V327 PolarHBondContact N-O 3.01Å; A272-V327 PolarHBondContact N-O 2.68Å; F325-V327 HydrophobicContact CB-CG1 4.08Å; V327-L364 HydrophobicContact CG1-CB 4.4Å; V327-L364 HydrophobicContact CG1-CD2 3.88Å
328I93.2Very high89.1Confident2 Ų250 Ų501%0.0127%0.272CS..  trans-126.1131177-56.2167.1000106.6A272 D273 R344 V351 V353 C359A272-I328 HydrophobicContact CB-CD1 4.4Å; A272-I328 HydrophobicContact CB-CG1 3.91Å; D273-I328 HydrophobicContact CB-CD1 3.84Å; D273-I328 HydrophobicContact CB-CG1 4.19Å; D273-I328 HydrophobicContact CB-CG2 4.41Å; I328-R344 HydrophobicContact CG2-CG 4.43Å; I328-V351 HydrophobicContact CD1-CG1 3.61Å; I328-V353 HydrophobicContact CG2-CG2 4.3Å; I328-V353 WeakPolarHBondContact O-CG1 3.31Å; I328-C359 HydrophobicContact CB-CB 4.37Å; I328-C359 HydrophobicContact CD1-CB 3.8Å; I328-C359 HydrophobicContact CG1-CB 3.89Å
329G87.7Confident89.1Confident21 Ų2157.1 Ų57.122%0.21629%0.29CS..  trans-105.2138.7174.800000110.8
330S87.6Confident89Confident6 Ų666.7 Ų66.74%0.04233%0.325CS..  trans-143.7136.4170-1710000111.7S144 T332 G343S144-S330 PolarHBondContact OG-O 2.93Å; S330-T332 PolarHBondContact OG-N 2.84Å; S330-T332 PolarHBondContact OG-O 3.08Å; S330-T332 PolarHBondContact OG-OG1 3.38Å; S330-G343 PolarHBondContact OG-O 3.33Å
331N82.3Confident88.9Confident105 Ų10562.8 Ų62.856%0.56131%0.31SS*.  trans-91.4-10.2170.6-69.7-17.4000112.2T140T140-N331 WeakPolarHBondContact CG2-OD1 3.19Å
332T86Confident88.9Confident80 Ų8059.8 Ų59.849%0.49129%0.293SS..  trans-93.8133.7-177.752.50000111S330 G343S330-T332 PolarHBondContact OG-N 2.84Å; S330-T332 PolarHBondContact OG-O 3.08Å; S330-T332 PolarHBondContact OG-OG1 3.38Å; T332-G343 PolarHBondContact O-N 3.37Å; T332-G343 VanDerWaalsContact O-N 3.13Å; T332-G343 VanDerWaalsContact O-O 3.12Å; T332-G343 PolarHBondContact OG1-O 3.19Å
333V87.5Confident88.9Confident71 Ų7159.4 Ų59.443%0.4329%0.291SS..EExtended strand (participates in β ladder)trans-94.2121.4171.7-177.40000107.8R340 R342V333-R340 HydrophobicContact CG1-CB 3.8Å; V333-R342 HydrophobicContact CG2-CG 4.2Å
334V88.8Confident88.9Confident20 Ų2063 Ų6312%0.12130%0.304CS..EExtended strand (participates in β ladder)trans-111.5149.9178-64.70000109.1V341 L345 I350V334-V341 HydrophobicContact CG2-CG2 4.26Å; V334-V341 WeakPolarHBondContact CG2-O 3.39Å; V334-V341 PolarHBondContact N-O 3.43Å; V334-V341 PolarHBondContact O-N 3.31Å; V334-L345 HydrophobicContact CG1-CB 4.33Å; V334-I350 HydrophobicContact CB-CG2 4.5Å; V334-I350 HydrophobicContact CG2-CG2 3.69Å
335E87.4Confident88.8Confident143 Ų14369 Ų6967%0.66834%0.335SS*.EExtended strand (participates in β ladder)trans-91.9114.4173.8-169.4175.2166.900109R339E335-R339 WeakPolarHBondContact CA-O 3.38Å
336A82.2Confident88.6Confident11 Ų1171.6 Ų71.69%0.09135%0.345CS..EExtended strand (participates in β ladder)trans-126.8127.7176.200000108.5G338 R339 V341 E352A336-G338 PolarHBondContact O-N 3.06Å; A336-G338 VanDerWaalsContact O-N 3.15Å; A336-R339 PolarHBondContact N-O 2.94Å; A336-R339 PolarHBondContact O-N 2.97Å; A336-R339 VanDerWaalsContact O-O 3.12Å; A336-V341 HydrophobicContact CB-CG2 3.86Å; A336-E352 HydrophobicContact CB-CG 4.45Å; A336-E352 VanDerWaalsContact CB-OE1 3.27Å; A336-E352 WeakPolarHBondContact CB-OE1 3.06Å
337R83.1Confident88.4Confident225 Ų22577.5 Ų77.585%0.84938%0.383SS*.THydrogen-bonded Turntrans53.835.3179-51.7176.8-177.8-170.6-0.2113.5R339R337-R339 PolarHBondContact O-N 3.42Å
338G85.1Confident88.3Confident62 Ų6287.3 Ų87.364%0.63942%0.42SS*.THydrogen-bonded Turntrans73.45-177.900000115.2A336A336-G338 PolarHBondContact O-N 3.06Å; A336-G338 VanDerWaalsContact O-N 3.15Å
339R88.2Confident88.2Confident191 Ų19188.7 Ų88.772%0.72143%0.434SS*.EExtended strand (participates in β ladder)trans-107.5138.6174-62-174.7-174.6-155.10.3109.7E335 A336 R337 V341E335-R339 WeakPolarHBondContact CA-O 3.38Å; A336-R339 PolarHBondContact N-O 2.94Å; A336-R339 PolarHBondContact O-N 2.97Å; A336-R339 VanDerWaalsContact O-O 3.12Å; R337-R339 PolarHBondContact O-N 3.42Å; R339-V341 HydrophobicContact CB-CG1 4.08Å; R339-V341 PolarHBondContact O-N 2.98Å
340R87.8Confident88.3Confident205 Ų20590.8 Ų90.877%0.77444%0.44SS*.EExtended strand (participates in β ladder)trans-81.9101.8171.9-67-175.870.8-158.42108.5V333V333-R340 HydrophobicContact CG1-CB 3.8Å
341V88.5Confident88.6Confident21 Ų2191.7 Ų91.713%0.12745%0.445CS..EExtended strand (participates in β ladder)trans-117.8151.1-177.4-64.70000110.3V334 A336 R339 G343 E352V334-V341 HydrophobicContact CG2-CG2 4.26Å; V334-V341 WeakPolarHBondContact CG2-O 3.39Å; V334-V341 PolarHBondContact N-O 3.43Å; V334-V341 PolarHBondContact O-N 3.31Å; A336-V341 HydrophobicContact CB-CG2 3.86Å; R339-V341 HydrophobicContact CB-CG1 4.08Å; R339-V341 PolarHBondContact O-N 2.98Å; V341-G343 PolarHBondContact O-N 2.99Å; V341-E352 HydrophobicContact CG2-CG 3.98Å
342R88.6Confident89Confident64 Ų6488.1 Ų88.124%0.24243%0.425CS..EExtended strand (participates in β ladder)trans-74.7128.7172.8-70.9178.9178.9172.8-3.8108.8S144 V333 V353S144-R342 VanDerWaalsContact CA-NH1 3.34Å; S144-R342 PolarHBondContact O-NH1 3.2Å; S144-R342 VanDerWaalsContact O-NH1 3.08Å; V333-R342 HydrophobicContact CG2-CG 4.2Å; R342-V353 HydrophobicContact CB-CB 4.45Å; R342-V353 WeakPolarHBondContact O-CB 3.48Å; R342-V353 PolarHBondContact O-N 3.02Å
343G90.7Very high89.3Confident0 Ų084.4 Ų84.40%040%0.402CS..EExtended strand (participates in β ladder)trans-166.1166.1-174.600000112.7S330 T332 V341 V351S330-G343 PolarHBondContact OG-O 3.33Å; T332-G343 PolarHBondContact O-N 3.37Å; T332-G343 VanDerWaalsContact O-N 3.13Å; T332-G343 VanDerWaalsContact O-O 3.12Å; T332-G343 PolarHBondContact OG1-O 3.19Å; V341-G343 PolarHBondContact O-N 2.99Å; G343-V351 CarbonylContact C-O 3.58Å; G343-V351 WeakPolarHBondContact CA-O 3.35Å
344R91.6Very high89.4Confident89 Ų8984.5 Ų84.534%0.33640%0.398SS..EExtended strand (participates in β ladder)trans-104.5131172.8-54.8-171.998.3-1693.9108.5D273 I328 Y346 V351D273-R344 IonicContact OD1-NH1 2.8Å; D273-R344 WeakPolarHBondContact OD2-CD 3.24Å; D273-R344 IonicContact OD2-CZ 3.72Å; D273-R344 IonicContact OD2-NH1 3.33Å; D273-R344 PolarHBondContact OD2-NH1 2.86Å; I328-R344 HydrophobicContact CG2-CG 4.43Å; R344-Y346 HydrophobicContact CB-CD2 4.45Å; R344-Y346 HydrophobicContact CB-CE2 3.8Å; R344-Y346 PolarHBondContact NH1-OH 2.97Å; R344-Y346 VanDerWaalsContact NH1-OH 3.13Å; R344-V351 PolarHBondContact N-O 2.53Å; R344-V351 PolarHBondContact O-N 3.11Å
345L91.4Very high89.5Confident124 Ų12485.3 Ų85.365%0.64940%0.402SS*.EExtended strand (participates in β ladder)trans-93.7119.3175.6-179.265.7000108.8V334 I350V334-L345 HydrophobicContact CG1-CB 4.33Å; L345-I350 HydrophobicContact CD1-CD1 4.23Å; L345-I350 HydrophobicContact CD1-CG1 3.6Å
346Y91.8Very high89.6Confident55 Ų5582.8 Ų82.822%0.21640%0.398CS..EExtended strand (participates in β ladder)trans-110.5156171-65.9-71.6000110.2D273 R344 W348 G349 V351D273-Y346 PolarHBondContact OD2-OH 3.16Å; R344-Y346 HydrophobicContact CB-CD2 4.45Å; R344-Y346 HydrophobicContact CB-CE2 3.8Å; R344-Y346 PolarHBondContact NH1-OH 2.97Å; R344-Y346 VanDerWaalsContact NH1-OH 3.13Å; Y346-W348 HydrophobicContact CD1-CH2 4.2Å; Y346-W348 AromaticContact CD1-CZ2 3.79Å; Y346-W348 HydrophobicContact CD1-CZ2 3.79Å; Y346-W348 AromaticContact CG-CE2 4Å; Y346-W348 AromaticContact CG-CZ2 3.9Å; Y346-W348 HydrophobicContact CG-CZ2 3.9Å; Y346-W348 PolarHBondContact O-N 3.11Å; Y346-W348 VanDerWaalsContact O-N 3.1Å; Y346-G349 CarbonylContact C-O 3.58Å; Y346-G349 WeakPolarHBondContact CA-O 3.49Å; Y346-G349 WeakPolarHBondContact CB-O 3.43Å; Y346-G349 PolarHBondContact N-O 3.34Å; Y346-G349 PolarHBondContact O-N 3.12Å; Y346-G349 VanDerWaalsContact O-N 3.12Å; Y346-V351 HydrophobicContact CD2-CG2 3.81Å; Y346-V351 HydrophobicContact CE2-CB 4.3Å; Y346-V351 HydrophobicContact CE2-CG2 3.79Å
347P92.5Very high89.9Confident128 Ų12885.4 Ų85.483%0.83143%0.425SS*.THydrogen-bonded Turntrans-56-28176.6-26.735.3000114.2
348W92.1Very high90.2Very high210 Ų21078.8 Ų78.880%0.79540%0.404SS*.THydrogen-bonded Turntrans-98.2-6.7-179.35382.7000114.5Y346Y346-W348 HydrophobicContact CD1-CH2 4.2Å; Y346-W348 AromaticContact CD1-CZ2 3.79Å; Y346-W348 HydrophobicContact CD1-CZ2 3.79Å; Y346-W348 AromaticContact CG-CE2 4Å; Y346-W348 AromaticContact CG-CZ2 3.9Å; Y346-W348 HydrophobicContact CG-CZ2 3.9Å; Y346-W348 PolarHBondContact O-N 3.11Å; Y346-W348 VanDerWaalsContact O-N 3.1Å
349G90.6Very high90.5Very high31 Ų3176.1 Ų76.132%0.3238%0.376SS..EExtended strand (participates in β ladder)trans166.6174.7-177.200000114.9Y346Y346-G349 CarbonylContact C-O 3.58Å; Y346-G349 WeakPolarHBondContact CA-O 3.49Å; Y346-G349 WeakPolarHBondContact CB-O 3.43Å; Y346-G349 PolarHBondContact N-O 3.34Å; Y346-G349 PolarHBondContact O-N 3.12Å; Y346-G349 VanDerWaalsContact O-N 3.12Å
350I91.4Very high90.8Very high65 Ų6567.7 Ų67.733%0.33335%0.345SS..EExtended strand (participates in β ladder)trans-109.7131179.9-60.4169.2000108.9V334 L345V334-I350 HydrophobicContact CB-CG2 4.5Å; V334-I350 HydrophobicContact CG2-CG2 3.69Å; L345-I350 HydrophobicContact CD1-CD1 4.23Å; L345-I350 HydrophobicContact CD1-CG1 3.6Å
351V92Very high91.1Very high26 Ų2658 Ų5816%0.15831%0.308CS..EExtended strand (participates in β ladder)trans-106.2104.5174.6-179.60000108.9D273 I328 G343 R344 Y346 H358D273-V351 HydrophobicContact CB-CG1 4.47Å; I328-V351 HydrophobicContact CD1-CG1 3.61Å; G343-V351 CarbonylContact C-O 3.58Å; G343-V351 WeakPolarHBondContact CA-O 3.35Å; R344-V351 PolarHBondContact N-O 2.53Å; R344-V351 PolarHBondContact O-N 3.11Å; Y346-V351 HydrophobicContact CD2-CG2 3.81Å; Y346-V351 HydrophobicContact CE2-CB 4.3Å; Y346-V351 HydrophobicContact CE2-CG2 3.79Å; V351-H358 HydrophobicContact CG1-CB 4.46Å
352E92.1Very high91.3Very high30 Ų3058.9 Ų58.914%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-74.8131.2175.4-62174.6-175.500111.3A336 V341 N355 H358A336-E352 HydrophobicContact CB-CG 4.45Å; A336-E352 VanDerWaalsContact CB-OE1 3.27Å; A336-E352 WeakPolarHBondContact CB-OE1 3.06Å; V341-E352 HydrophobicContact CG2-CG 3.98Å; E352-N355 HydrophobicContact CB-CB 3.67Å; E352-N355 WeakPolarHBondContact OE2-CB 3.42Å; E352-N355 PolarHBondContact OE2-ND2 3.12Å; E352-H358 PolarHBondContact N-ND1 3.2Å
353V91.5Very high91.5Very high1 Ų158.9 Ų58.91%0.00632%0.315CS..SBendtrans-79.2-30.9179.31730000111.8I328 R342 N355 C359 F361I328-V353 HydrophobicContact CG2-CG2 4.3Å; I328-V353 WeakPolarHBondContact O-CG1 3.31Å; R342-V353 HydrophobicContact CB-CB 4.45Å; R342-V353 WeakPolarHBondContact O-CB 3.48Å; R342-V353 PolarHBondContact O-N 3.02Å; V353-N355 VanDerWaalsContact C-N 3.29Å; V353-C359 PolarHBondContact O-SG 2.96Å; V353-F361 HydrophobicContact CG1-CB 4.08Å; V353-F361 HydrophobicContact CG1-CD1 3.69Å; V353-F361 HydrophobicContact CG1-CD2 4.05Å; V353-F361 HydrophobicContact CG1-CE1 4.12Å; V353-F361 HydrophobicContact CG1-CE2 4.45Å; V353-F361 HydrophobicContact CG1-CG 3.65Å; V353-F361 HydrophobicContact CG1-CZ 4.49Å; V353-F361 VanDerWaalsContact O-CB 3.31Å; V353-F361 WeakPolarHBondContact O-CB 3.4Å
354E90.1Very high91.7Very high74 Ų7458.9 Ų58.935%0.34632%0.315SS..SBendtrans-88.42.2-179.9-62-166.1134.800113.3P356 F361 V362 R365E354-P356 WeakPolarHBondContact O-CD 3.24Å; E354-F361 HydrophobicContact CG-CD1 4.42Å; E354-F361 HydrophobicContact CG-CE1 4.38Å; E354-V362 HydrophobicContact CB-CG2 4.38Å; E354-V362 WeakPolarHBondContact O-CG2 3.32Å; E354-R365 IonicContact OE1-CZ 2.92Å; E354-R365 IonicContact OE1-NH1 3.41Å; E354-R365 PolarHBondContact OE1-NH1 3.47Å; E354-R365 IonicContact OE1-NH2 3.81Å
355N90.7Very high91.7Very high37 Ų3756.9 Ų56.920%0.19831%0.308CS..  trans-87.9118.1-178.3-168.3-34.9000110.6E352 V353 G357 H358 C359E352-N355 HydrophobicContact CB-CB 3.67Å; E352-N355 WeakPolarHBondContact OE2-CB 3.42Å; E352-N355 PolarHBondContact OE2-ND2 3.12Å; V353-N355 VanDerWaalsContact C-N 3.29Å; N355-G357 PolarHBondContact O-N 3.15Å; N355-G357 PolarHBondContact OD1-N 3.21Å; N355-H358 HydrophobicContact CB-CB 4.4Å; N355-H358 PolarHBondContact O-N 3.09Å; N355-C359 PolarHBondContact O-N 3.02Å; N355-C359 VanDerWaalsContact O-N 3.13Å
356P90.3Very high91.7Very high90 Ų9051.3 Ų51.358%0.58428%0.279SS*.THydrogen-bonded Turntrans-65.5-20-178.227.7-35.5000113.3E354 H358E354-P356 WeakPolarHBondContact O-CD 3.24Å; P356-H358 VanDerWaalsContact C-N 3.29Å
357G88.4Confident91.7Very high65 Ų6548.7 Ų48.767%0.6727%0.268SS*.THydrogen-bonded Turntrans-75.7-15.8173.800000113.8N355N355-G357 PolarHBondContact O-N 3.15Å; N355-G357 PolarHBondContact OD1-N 3.21Å
358H88.8Confident91.6Very high87 Ų8742.7 Ų42.740%0.40323%0.229SC..THydrogen-bonded Turntrans-105.6-36.7180-70.3-173.4000112.7V351 E352 N355 P356V351-H358 HydrophobicContact CG1-CB 4.46Å; E352-H358 PolarHBondContact N-ND1 3.2Å; N355-H358 HydrophobicContact CB-CB 4.4Å; N355-H358 PolarHBondContact O-N 3.09Å; P356-H358 VanDerWaalsContact C-N 3.29Å
359C91.6Very high91.5Very high6 Ų635 Ų354%0.04121%0.205CC..  trans-156.8160.717869.30000113.5A326 I328 V353 N355 F361A326-C359 WeakPolarHBondContact O-CB 3.38Å; I328-C359 HydrophobicContact CB-CB 4.37Å; I328-C359 HydrophobicContact CD1-CB 3.8Å; I328-C359 HydrophobicContact CG1-CB 3.89Å; V353-C359 PolarHBondContact O-SG 2.96Å; N355-C359 PolarHBondContact O-N 3.02Å; N355-C359 VanDerWaalsContact O-N 3.13Å; C359-F361 PolarHBondContact O-N 2.82Å; C359-F361 VanDerWaalsContact SG-CB 3.52Å
360D94.2Very high91.3Very high13 Ų1341 Ų417%0.0722%0.218CC..THydrogen-bonded Turntrans-82.818.7178.4-59.2-52.5000112.8K284 F325 A326 V362 K363 L364K284-D360 IonicContact NZ-OD2 2.89Å; K284-D360 PolarHBondContact NZ-OD2 3.48Å; F325-D360 HydrophobicContact CB-CB 4.38Å; F325-D360 HydrophobicContact CD1-CB 4.09Å; A326-D360 PolarHBondContact N-OD2 2.95Å; A326-D360 VanDerWaalsContact N-OD2 3.09Å; A326-D360 PolarHBondContact O-N 2.84Å; D360-V362 VanDerWaalsContact C-N 3.31Å; D360-V362 PolarHBondContact O-N 3.22Å; D360-K363 HydrophobicContact CB-CB 4.3Å; D360-K363 HydrophobicContact CB-CD 4.24Å; D360-K363 WeakPolarHBondContact O-CB 3.38Å; D360-K363 PolarHBondContact O-N 2.8Å; D360-K363 VanDerWaalsContact O-N 3.12Å; D360-K363 IonicContact OD1-NZ 2.64Å; D360-K363 PolarHBondContact OD1-NZ 3Å; D360-L364 PolarHBondContact O-N 3.05Å
361F94.1Very high91.1Very high3 Ų339.7 Ų39.71%0.01321%0.214CC..Hα-helixtrans-59.5-41.1-178.3176-100.8000112.4L141 V353 E354 C359 K363 L364 R365L141-F361 HydrophobicContact CD1-CD2 3.65Å; L141-F361 HydrophobicContact CD1-CE2 3.76Å; V353-F361 HydrophobicContact CG1-CB 4.08Å; V353-F361 HydrophobicContact CG1-CD1 3.69Å; V353-F361 HydrophobicContact CG1-CD2 4.05Å; V353-F361 HydrophobicContact CG1-CE1 4.12Å; V353-F361 HydrophobicContact CG1-CE2 4.45Å; V353-F361 HydrophobicContact CG1-CG 3.65Å; V353-F361 HydrophobicContact CG1-CZ 4.49Å; V353-F361 VanDerWaalsContact O-CB 3.31Å; V353-F361 WeakPolarHBondContact O-CB 3.4Å; E354-F361 HydrophobicContact CG-CD1 4.42Å; E354-F361 HydrophobicContact CG-CE1 4.38Å; C359-F361 PolarHBondContact O-N 2.82Å; C359-F361 VanDerWaalsContact SG-CB 3.52Å; F361-K363 VanDerWaalsContact C-N 3.3Å; F361-K363 PolarHBondContact O-N 3.08Å; F361-L364 PolarHBondContact O-N 2.75Å; F361-R365 WeakPolarHBondContact O-CB 3.44Å; F361-R365 PolarHBondContact O-N 3.04Å
362V92.7Very high91Very high38 Ų3839 Ų3923%0.2321%0.209CC..Hα-helixtrans-65-37.3177.1179.80000111.4E354 D360 R365 T366E354-V362 HydrophobicContact CB-CG2 4.38Å; E354-V362 WeakPolarHBondContact O-CG2 3.32Å; D360-V362 VanDerWaalsContact C-N 3.31Å; D360-V362 PolarHBondContact O-N 3.22Å; V362-R365 PolarHBondContact O-N 3.12Å; V362-T366 WeakPolarHBondContact O-CB 3.35Å; V362-T366 PolarHBondContact O-N 2.95Å; V362-T366 PolarHBondContact O-OG1 3.35Å
363K93.4Very high91Very high64 Ų6439.3 Ų39.328%0.27821%0.211SC..Hα-helixtrans-66.1-47.7175.9-65.1-176.9-169.9158.40110.7L319 S322 F325 D360 F361 R365 T366 M367L319-K363 HydrophobicContact CD2-CB 3.65Å; L319-K363 HydrophobicContact CD2-CG 4.22Å; L319-K363 WeakPolarHBondContact CD2-O 3.39Å; S322-K363 WeakPolarHBondContact OG-CD 3.42Å; S322-K363 WeakPolarHBondContact OG-CE 3.41Å; S322-K363 PolarHBondContact OG-NZ 2.89Å; F325-K363 HydrophobicContact CD1-CB 4.27Å; F325-K363 HydrophobicContact CE1-CB 4.04Å; D360-K363 HydrophobicContact CB-CB 4.3Å; D360-K363 HydrophobicContact CB-CD 4.24Å; D360-K363 WeakPolarHBondContact O-CB 3.38Å; D360-K363 PolarHBondContact O-N 2.8Å; D360-K363 VanDerWaalsContact O-N 3.12Å; D360-K363 IonicContact OD1-NZ 2.64Å; D360-K363 PolarHBondContact OD1-NZ 3Å; F361-K363 VanDerWaalsContact C-N 3.3Å; F361-K363 PolarHBondContact O-N 3.08Å; K363-R365 VanDerWaalsContact C-N 3.34Å; K363-R365 PolarHBondContact O-N 2.84Å; K363-T366 PolarHBondContact O-N 2.49Å; K363-M367 VanDerWaalsContact O-CB 3.27Å; K363-M367 WeakPolarHBondContact O-CB 3.43Å; K363-M367 PolarHBondContact O-N 2.94Å
364L93.8Very high91Very high0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-58.4-44174.9-178.565.1000112L141 V266 I268 F325 V327 D360 F361 M367 L368L141-L364 HydrophobicContact CD2-CD2 3.92Å; V266-L364 HydrophobicContact CG1-CD1 4.23Å; I268-L364 HydrophobicContact CD1-CD1 4.25Å; I268-L364 HydrophobicContact CD1-CD2 3.67Å; I268-L364 HydrophobicContact CG1-CD2 4.42Å; F325-L364 HydrophobicContact CB-CB 4.44Å; F325-L364 HydrophobicContact CB-CD1 4.45Å; F325-L364 HydrophobicContact CD1-CB 4.23Å; F325-L364 HydrophobicContact CD2-CD1 3.69Å; F325-L364 HydrophobicContact CE2-CD1 4.05Å; F325-L364 HydrophobicContact CG-CB 4.21Å; F325-L364 HydrophobicContact CG-CD1 4.02Å; V327-L364 HydrophobicContact CG1-CB 4.4Å; V327-L364 HydrophobicContact CG1-CD2 3.88Å; D360-L364 PolarHBondContact O-N 3.05Å; F361-L364 PolarHBondContact O-N 2.75Å; L364-M367 PolarHBondContact O-N 3.34Å; L364-L368 HydrophobicContact CD1-CD1 3.77Å; L364-L368 HydrophobicContact CD1-CG 4.1Å; L364-L368 HydrophobicContact CG-CD1 3.9Å; L364-L368 WeakPolarHBondContact O-CB 3.39Å; L364-L368 WeakPolarHBondContact O-CG 3.35Å; L364-L368 PolarHBondContact O-N 2.99Å
365R92.1Very high91.1Very high47 Ų4741.8 Ų41.818%0.17722%0.223CC..Hα-helixtrans-63.7-42.5176.9-177.5173.870.3-171.6-2.6112L145 E354 F361 V362 K363 V369L145-R365 HydrophobicContact CD1-CB 3.68Å; L145-R365 HydrophobicContact CD1-CG 3.81Å; E354-R365 IonicContact OE1-CZ 2.92Å; E354-R365 IonicContact OE1-NH1 3.41Å; E354-R365 PolarHBondContact OE1-NH1 3.47Å; E354-R365 IonicContact OE1-NH2 3.81Å; F361-R365 WeakPolarHBondContact O-CB 3.44Å; F361-R365 PolarHBondContact O-N 3.04Å; V362-R365 PolarHBondContact O-N 3.12Å; K363-R365 VanDerWaalsContact C-N 3.34Å; K363-R365 PolarHBondContact O-N 2.84Å; R365-V369 WeakPolarHBondContact O-CB 3.22Å; R365-V369 PolarHBondContact O-N 2.97Å
366T91.3Very high91.3Very high7 Ų740 Ų404%0.04321%0.214CC..Iπ-helixtrans-63.4-48.2178.1-59.60000110.4V362 K363 L368 R370 T371V362-T366 WeakPolarHBondContact O-CB 3.35Å; V362-T366 PolarHBondContact O-N 2.95Å; V362-T366 PolarHBondContact O-OG1 3.35Å; K363-T366 PolarHBondContact O-N 2.49Å; T366-L368 PolarHBondContact O-N 3.22Å; T366-R370 HydrophobicContact CG2-CB 4.22Å; T366-R370 WeakPolarHBondContact O-CA 3.28Å; T366-R370 WeakPolarHBondContact O-CB 3.41Å; T366-R370 PolarHBondContact O-N 2.77Å; T366-R370 PolarHBondContact OG1-NH1 3.35Å; T366-T371 HydrophobicContact CG2-CG2 4.02Å; T366-T371 PolarHBondContact O-N 3.21Å; T366-T371 PolarHBondContact O-OG1 3.27Å
367M91.7Very high91.4Very high0 Ų037 Ų370%019%0.191CC..Iπ-helixtrans-54.7-52.7175.6-177.8-76-162.300112.4V266 Y299 F301 L319 F325 K363 L364 T371 H372V266-M367 HydrophobicContact CG1-CE 4.24Å; V266-M367 HydrophobicContact CG2-CE 3.67Å; Y299-M367 HydrophobicContact CD1-CE 3.55Å; Y299-M367 HydrophobicContact CE1-CE 3.58Å; F301-M367 HydrophobicContact CE1-CE 4.22Å; F301-M367 HydrophobicContact CE1-CG 3.67Å; F301-M367 HydrophobicContact CZ-CE 4.2Å; F301-M367 HydrophobicContact CZ-CG 3.9Å; L319-M367 HydrophobicContact CD1-CB 4.33Å; L319-M367 HydrophobicContact CD2-CB 4.36Å; F325-M367 HydrophobicContact CE2-CE 4.35Å; F325-M367 HydrophobicContact CE2-CG 4.34Å; F325-M367 HydrophobicContact CZ-CB 4.22Å; F325-M367 HydrophobicContact CZ-CG 3.95Å; K363-M367 VanDerWaalsContact O-CB 3.27Å; K363-M367 WeakPolarHBondContact O-CB 3.43Å; K363-M367 PolarHBondContact O-N 2.94Å; L364-M367 PolarHBondContact O-N 3.34Å; M367-T371 WeakPolarHBondContact CA-OG1 3.35Å; M367-H372 PolarHBondContact O-N 2.84Å
368L91.4Very high91.7Very high2 Ų236.9 Ų36.91%0.0118%0.176CC..Iπ-helixtrans-75.8-35.5-173.7-71.8173.8000114.3L145 L238 L364 T366 M373 L376L145-L368 HydrophobicContact CD1-CD1 4.48Å; L145-L368 HydrophobicContact CD2-CD1 3.58Å; L238-L368 HydrophobicContact CD1-CD1 4.13Å; L238-L368 HydrophobicContact CD2-CD1 4.05Å; L238-L368 HydrophobicContact CD2-CD2 4.15Å; L364-L368 HydrophobicContact CD1-CD1 3.77Å; L364-L368 HydrophobicContact CD1-CG 4.1Å; L364-L368 HydrophobicContact CG-CD1 3.9Å; L364-L368 WeakPolarHBondContact O-CB 3.39Å; L364-L368 WeakPolarHBondContact O-CG 3.35Å; L364-L368 PolarHBondContact O-N 2.99Å; T366-L368 PolarHBondContact O-N 3.22Å; L368-M373 VanDerWaalsContact O-CB 3.31Å; L368-M373 WeakPolarHBondContact O-CB 3.49Å; L368-L376 HydrophobicContact CD2-CD1 4.07Å
369V88.9Confident91.9Very high48 Ų4834.3 Ų34.329%0.29117%0.166SC..Iπ-helixtrans-109.7-36.7-168.9-176.50000112.5F146 R365F146-V369 HydrophobicContact CE1-CG2 4.17Å; R365-V369 WeakPolarHBondContact O-CB 3.22Å; R365-V369 PolarHBondContact O-N 2.97Å
370R87.6Confident92Very high157 Ų15734 Ų3459%0.59216%0.164SC*.Iπ-helixtrans-96-45.4-171.3-63.1-177.7-177.7145.2-11.5113.4T366T366-R370 HydrophobicContact CG2-CB 4.22Å; T366-R370 WeakPolarHBondContact O-CA 3.28Å; T366-R370 WeakPolarHBondContact O-CB 3.41Å; T366-R370 PolarHBondContact O-N 2.77Å; T366-R370 PolarHBondContact OG1-NH1 3.35Å
371T86.8Confident92Very high38 Ų3839.4 Ų39.423%0.23318%0.183CC..Iπ-helixtrans-102.9-56.9-168.858.40000112.4F312 T366 M367F312-T371 HydrophobicContact CE2-CG2 4.15Å; T366-T371 HydrophobicContact CG2-CG2 4.02Å; T366-T371 PolarHBondContact O-N 3.21Å; T366-T371 PolarHBondContact O-OG1 3.27Å; M367-T371 WeakPolarHBondContact CA-OG1 3.35Å
372H90.1Very high92Very high12 Ų1245.7 Ų45.76%0.05621%0.213CC..SBendtrans-113.217.9-165.5-46-52.4000115.3Y299 F301 D316 M367 Q374 D375 L376Y299-H372 WeakPolarHBondContact OH-CB 3.24Å; F301-H372 AromaticContact CD1-CD2 3.43Å; F301-H372 VanDerWaalsContact CD1-CD2 3.43Å; F301-H372 WeakPolarHBondContact CD1-CD2 3.19Å; F301-H372 AromaticContact CD1-NE2 3.35Å; F301-H372 VanDerWaalsContact CD1-NE2 3.35Å; F301-H372 WeakPolarHBondContact CD1-NE2 3.37Å; F301-H372 AromaticContact CE1-CD2 3.35Å; F301-H372 WeakPolarHBondContact CE1-CD2 3.39Å; F301-H372 AromaticContact CE1-NE2 3.46Å; F301-H372 WeakPolarHBondContact CE1-NE2 3.43Å; D316-H372 IonicContact OD1-CE1 2.67Å; D316-H372 PolarHBondContact OD1-CE1 3.36Å; D316-H372 VanDerWaalsContact OD1-CE1 3.25Å; D316-H372 IonicContact OD1-NE2 3.68Å; D316-H372 PolarHBondContact OD1-NE2 2.73Å; M367-H372 PolarHBondContact O-N 2.84Å; H372-Q374 PolarHBondContact O-N 2.88Å; H372-D375 HydrophobicContact CB-CB 4.22Å; H372-D375 PolarHBondContact O-N 2.92Å; H372-L376 WeakPolarHBondContact O-CB 3.23Å; H372-L376 VanDerWaalsContact O-CG 3.28Å; H372-L376 WeakPolarHBondContact O-CG 2.89Å; H372-L376 PolarHBondContact O-N 3.36Å
373M91.1Very high92Very high37 Ų3747 Ų4718%0.18222%0.221CC..Hα-helixtrans-56.5-42.2175-171.2178.25900111.4F126 L183 L368 K377F126-M373 HydrophobicContact CB-SD 4.22Å; F126-M373 HydrophobicContact CD2-CG 3.6Å; F126-M373 HydrophobicContact CD2-SD 4.25Å; F126-M373 HydrophobicContact CE2-CG 3.79Å; F126-M373 HydrophobicContact CG-CG 4.09Å; F126-M373 HydrophobicContact CG-SD 4.18Å; F126-M373 HydrophobicContact CZ-CG 4.42Å; L183-M373 HydrophobicContact CD1-CE 4.44Å; L183-M373 HydrophobicContact CD1-SD 4.1Å; L183-M373 HydrophobicContact CD2-SD 4.42Å; L368-M373 VanDerWaalsContact O-CB 3.31Å; L368-M373 WeakPolarHBondContact O-CB 3.49Å; M373-K377 WeakPolarHBondContact O-CG 3.48Å
374Q91.3Very high92Very high87 Ų8744.6 Ų44.641%0.40721%0.211SC..Hα-helixtrans-73.8-43.3178.9-96.1-6430.400112.8H372 L376 K377 D378H372-Q374 PolarHBondContact O-N 2.88Å; Q374-L376 VanDerWaalsContact C-N 3.26Å; Q374-L376 PolarHBondContact O-N 3.49Å; Q374-K377 CarbonylContact O-C 3.53Å; Q374-K377 WeakPolarHBondContact O-CA 3.5Å; Q374-K377 VanDerWaalsContact O-CB 3.29Å; Q374-K377 WeakPolarHBondContact O-CB 2.95Å; Q374-K377 PolarHBondContact O-N 2.7Å; Q374-D378 PolarHBondContact O-N 3.16Å
375D92.5Very high92Very high39 Ų3944.7 Ų44.721%0.20921%0.211CC..Hα-helixtrans-57.8-41.6177.5178.966.7000111.8Y299 P302 H372 K377 D378 V379Y299-D375 VanDerWaalsContact CE2-OD2 3.28Å; Y299-D375 WeakPolarHBondContact CE2-OD2 3.25Å; Y299-D375 VanDerWaalsContact CZ-OD2 3.26Å; Y299-D375 PolarHBondContact OH-OD2 2.89Å; P302-D375 WeakPolarHBondContact CD-OD2 3.37Å; P302-D375 HydrophobicContact CG-CB 4.27Å; P302-D375 WeakPolarHBondContact CG-OD1 3.47Å; P302-D375 VanDerWaalsContact CG-OD2 3.22Å; P302-D375 WeakPolarHBondContact CG-OD2 3.48Å; H372-D375 HydrophobicContact CB-CB 4.22Å; H372-D375 PolarHBondContact O-N 2.92Å; D375-K377 PolarHBondContact O-N 3.44Å; D375-D378 PolarHBondContact O-N 3.41Å; D375-V379 WeakPolarHBondContact O-CG2 3.17Å; D375-V379 PolarHBondContact O-N 2.9Å
376L94.6Very high92.1Very high0 Ų045.3 Ų45.30%022%0.216CC..Hα-helixtrans-56-36.4172.6-74.2165.7000112.7F126 C236 N264 Y299 L368 H372 Q374 T380F126-L376 HydrophobicContact CE2-CB 4.42Å; F126-L376 HydrophobicContact CE2-CD1 4.47Å; F126-L376 HydrophobicContact CZ-CD1 4.22Å; C236-L376 HydrophobicContact CB-CD1 4.16Å; C236-L376 HydrophobicContact CB-CD2 4.29Å; N264-L376 HydrophobicContact CB-CD2 3.79Å; N264-L376 PolarHBondContact ND2-O 3.33Å; Y299-L376 HydrophobicContact CD1-CD2 4.21Å; Y299-L376 HydrophobicContact CD2-CD2 3.51Å; Y299-L376 HydrophobicContact CE1-CD2 4.19Å; Y299-L376 HydrophobicContact CE2-CD2 3.51Å; Y299-L376 HydrophobicContact CE2-CG 4.12Å; Y299-L376 HydrophobicContact CG-CD2 3.87Å; L368-L376 HydrophobicContact CD2-CD1 4.07Å; H372-L376 WeakPolarHBondContact O-CB 3.23Å; H372-L376 VanDerWaalsContact O-CG 3.28Å; H372-L376 WeakPolarHBondContact O-CG 2.89Å; H372-L376 PolarHBondContact O-N 3.36Å; Q374-L376 VanDerWaalsContact C-N 3.26Å; Q374-L376 PolarHBondContact O-N 3.49Å; L376-T380 WeakPolarHBondContact O-CB 3.18Å; L376-T380 PolarHBondContact O-N 2.97Å; L376-T380 VanDerWaalsContact O-N 3.14Å; L376-T380 PolarHBondContact O-OG1 3.21Å
377K93.3Very high92.2Very high26 Ų2649.1 Ų49.111%0.11324%0.236CC..Hα-helixtrans-73-40.9176.2-62.9-178.861.8165.40111.6D125 F126 H235 M373 Q374 D375 T380 R381D125-K377 WeakPolarHBondContact O-CE 3.41Å; D125-K377 PolarHBondContact O-NZ 2.65Å; D125-K377 IonicContact OD1-NZ 3.34Å; D125-K377 PolarHBondContact OD1-NZ 3.2Å; F126-K377 HydrophobicContact CD2-CD 4.45Å; F126-K377 HydrophobicContact CD2-CG 4.31Å; H235-K377 HydrophobicContact CB-CG 4.28Å; M373-K377 WeakPolarHBondContact O-CG 3.48Å; Q374-K377 CarbonylContact O-C 3.53Å; Q374-K377 WeakPolarHBondContact O-CA 3.5Å; Q374-K377 VanDerWaalsContact O-CB 3.29Å; Q374-K377 WeakPolarHBondContact O-CB 2.95Å; Q374-K377 PolarHBondContact O-N 2.7Å; D375-K377 PolarHBondContact O-N 3.44Å; K377-T380 WeakPolarHBondContact O-CB 2.97Å; K377-T380 PolarHBondContact O-N 3.43Å; K377-R381 WeakPolarHBondContact O-CB 3.31Å; K377-R381 PolarHBondContact O-N 2.96Å
378D93.7Very high92.3Very high64 Ų6451 Ų5134%0.34224%0.243SC..Hα-helixtrans-67.3-46.4180-68-26.6000110.6Q374 D375 T380 R381 E382Q374-D378 PolarHBondContact O-N 3.16Å; D375-D378 PolarHBondContact O-N 3.41Å; D378-T380 VanDerWaalsContact C-N 3.3Å; D378-T380 PolarHBondContact O-N 3.07Å; D378-R381 CarbonylContact O-C 3.58Å; D378-R381 WeakPolarHBondContact O-CA 3.44Å; D378-R381 WeakPolarHBondContact O-CB 3.45Å; D378-R381 PolarHBondContact O-N 2.86Å; D378-E382 WeakPolarHBondContact O-CB 3.4Å; D378-E382 WeakPolarHBondContact O-CG 3.34Å; D378-E382 PolarHBondContact O-N 3.06Å
379V93.9Very high92.4Very high33 Ų3354.1 Ų54.120%0.226%0.255CS..Hα-helixtrans-58.8-41.2172.3177.60000111.4N264 Y299 D375 R381 T383 H384N264-V379 WeakPolarHBondContact OD1-CG1 3.37Å; Y299-V379 HydrophobicContact CE2-CG2 4.4Å; D375-V379 WeakPolarHBondContact O-CG2 3.17Å; D375-V379 PolarHBondContact O-N 2.9Å; V379-R381 VanDerWaalsContact C-N 3.28Å; V379-R381 PolarHBondContact O-N 3.02Å; V379-T383 WeakPolarHBondContact O-CA 3.39Å; V379-T383 VanDerWaalsContact O-CB 3.23Å; V379-T383 WeakPolarHBondContact O-CB 3.13Å; V379-T383 PolarHBondContact O-N 3.27Å; V379-H384 PolarHBondContact O-N 3.46Å
380T93.8Very high92.5Very high0 Ų053.8 Ų53.80%026%0.257CS..Iπ-helixtrans-61.2-40.2175.4-60.10000111.6F214 H235 N264 L376 K377 D378 Y385F214-T380 HydrophobicContact CE1-CG2 4.45Å; H235-T380 WeakPolarHBondContact CA-OG1 3.03Å; H235-T380 PolarHBondContact O-OG1 3.22Å; N264-T380 PolarHBondContact ND2-OG1 3.08Å; L376-T380 WeakPolarHBondContact O-CB 3.18Å; L376-T380 PolarHBondContact O-N 2.97Å; L376-T380 VanDerWaalsContact O-N 3.14Å; L376-T380 PolarHBondContact O-OG1 3.21Å; K377-T380 WeakPolarHBondContact O-CB 2.97Å; K377-T380 PolarHBondContact O-N 3.43Å; D378-T380 VanDerWaalsContact C-N 3.3Å; D378-T380 PolarHBondContact O-N 3.07Å; T380-Y385 VanDerWaalsContact O-CB 3.24Å; T380-Y385 WeakPolarHBondContact O-CB 3.49Å; T380-Y385 PolarHBondContact O-N 2.96Å
381R93.3Very high92.8Very high125 Ų12551.9 Ų51.947%0.47226%0.255SS..Iπ-helixtrans-70.6-55.6179.2-175-174.4-143131.17.8111.5K377 D378 V379 Y385 E386K377-R381 WeakPolarHBondContact O-CB 3.31Å; K377-R381 PolarHBondContact O-N 2.96Å; D378-R381 CarbonylContact O-C 3.58Å; D378-R381 WeakPolarHBondContact O-CA 3.44Å; D378-R381 WeakPolarHBondContact O-CB 3.45Å; D378-R381 PolarHBondContact O-N 2.86Å; V379-R381 VanDerWaalsContact C-N 3.28Å; V379-R381 PolarHBondContact O-N 3.02Å; R381-Y385 WeakPolarHBondContact O-CB 3.45Å; R381-E386 WeakPolarHBondContact O-CG 3.34Å; R381-E386 PolarHBondContact O-N 2.97Å
382E93.8Very high92.9Very high135 Ų13551.6 Ų51.663%0.63125%0.254SS*.Iπ-helixtrans-82.1-28.6-167.1-64.3-176.7172.200113.4D378 E386D378-E382 WeakPolarHBondContact O-CB 3.4Å; D378-E382 WeakPolarHBondContact O-CG 3.34Å; D378-E382 PolarHBondContact O-N 3.06Å; E382-E386 VanDerWaalsContact O-CB 3.29Å; E382-E386 WeakPolarHBondContact O-CB 3.46Å; E382-E386 WeakPolarHBondContact O-CG 3.35Å
383T93.2Very high92.9Very high65 Ų6554.7 Ų54.740%0.39927%0.271SS..Iπ-helixtrans-103.2-67.7179.7-58.10000110.4V379 N387V379-T383 WeakPolarHBondContact O-CA 3.39Å; V379-T383 VanDerWaalsContact O-CB 3.23Å; V379-T383 WeakPolarHBondContact O-CB 3.13Å; V379-T383 PolarHBondContact O-N 3.27Å; T383-N387 WeakPolarHBondContact O-CB 3.06Å; T383-N387 PolarHBondContact O-N 2.75Å; T383-N387 PolarHBondContact O-ND2 3.39Å
384H93.9Very high92.9Very high14 Ų1458.4 Ų58.47%0.06529%0.287CS..Iπ-helixtrans-68.4-50.1-169.2-62.8-53.4000112.6F214 Q261 R262 V263 N264 V379 Y388F214-H384 HydrophobicContact CZ-CB 4.09Å; Q261-H384 VanDerWaalsContact C-ND1 3.35Å; Q261-H384 PolarHBondContact O-ND1 2.88Å; R262-H384 WeakPolarHBondContact O-CB 3.27Å; V263-H384 VanDerWaalsContact C-NE2 3.34Å; N264-H384 PolarHBondContact N-NE2 3.01Å; N264-H384 PolarHBondContact OD1-NE2 2.75Å; N264-H384 VanDerWaalsContact OD1-NE2 3.12Å; V379-H384 PolarHBondContact O-N 3.46Å; H384-Y388 PolarHBondContact O-N 3.47Å; H384-Y388 VanDerWaalsContact O-N 3.16Å
385Y94.7Very high92.8Very high2 Ų257.5 Ų57.51%0.00829%0.291CS..Iπ-helixtrans-71.1-42.3-179.1176.1-107000112.3F214 Y217 F218 E221 T380 R381 N387 Y388 R389F214-Y385 AromaticContact CD1-CD2 3.95Å; F214-Y385 HydrophobicContact CD1-CD2 3.95Å; F214-Y385 HydrophobicContact CG-CD2 4.45Å; Y217-Y385 HydrophobicContact CD1-CD2 4.24Å; Y217-Y385 AromaticContact CD1-CE1 3.94Å; Y217-Y385 HydrophobicContact CD1-CE1 3.94Å; Y217-Y385 AromaticContact CD1-CE2 3.53Å; Y217-Y385 HydrophobicContact CD1-CE2 3.53Å; Y217-Y385 AromaticContact CD1-CZ 3.37Å; Y217-Y385 WeakPolarHBondContact CD1-OH 3.48Å; Y217-Y385 HydrophobicContact CE1-CD1 4.43Å; Y217-Y385 AromaticContact CE1-CE1 3.76Å; Y217-Y385 HydrophobicContact CE1-CE1 3.76Å; Y217-Y385 HydrophobicContact CE1-CE2 4.22Å; Y217-Y385 AromaticContact CE1-CZ 3.66Å; Y217-Y385 HydrophobicContact CG-CE2 4.45Å; F218-Y385 WeakPolarHBondContact CA-OH 3.5Å; F218-Y385 HydrophobicContact CB-CE2 4.38Å; E221-Y385 PolarHBondContact OE2-OH 2.84Å; T380-Y385 VanDerWaalsContact O-CB 3.24Å; T380-Y385 WeakPolarHBondContact O-CB 3.49Å; T380-Y385 PolarHBondContact O-N 2.96Å; R381-Y385 WeakPolarHBondContact O-CB 3.45Å; Y385-N387 VanDerWaalsContact C-N 3.32Å; Y385-N387 PolarHBondContact O-N 3Å; Y385-Y388 PolarHBondContact O-N 3.49Å; Y385-R389 HydrophobicContact CE1-CB 4.48Å; Y385-R389 VanDerWaalsContact O-CB 3.28Å; Y385-R389 WeakPolarHBondContact O-CB 3.33Å; Y385-R389 PolarHBondContact O-N 3.33Å
386E93.6Very high92.5Very high61 Ų6161.1 Ų61.129%0.28531%0.308SS..Hα-helixtrans-61.6-38.7175.2-75.4-59.714800112.3R381 E382 R389 A390R381-E386 WeakPolarHBondContact O-CG 3.34Å; R381-E386 PolarHBondContact O-N 2.97Å; E382-E386 VanDerWaalsContact O-CB 3.29Å; E382-E386 WeakPolarHBondContact O-CB 3.46Å; E382-E386 WeakPolarHBondContact O-CG 3.35Å; E386-R389 VanDerWaalsContact CD-CZ 3.45Å; E386-R389 VanDerWaalsContact CD-NH2 3.33Å; E386-R389 PolarHBondContact O-N 3.18Å; E386-R389 IonicContact OE1-CZ 4Å; E386-R389 IonicContact OE1-NE 3Å; E386-R389 IonicContact OE1-NH1 3.1Å; E386-R389 PolarHBondContact OE1-NH1 3.21Å; E386-R389 IonicContact OE1-NH2 2.74Å; E386-R389 PolarHBondContact OE1-NH2 3.48Å; E386-R389 IonicContact OE2-CZ 2.63Å; E386-R389 IonicContact OE2-NE 3.55Å; E386-R389 PolarHBondContact OE2-NE 2.93Å; E386-R389 IonicContact OE2-NH1 2.87Å; E386-R389 IonicContact OE2-NH2 3.97Å; E386-R389 PolarHBondContact OE2-NH2 2.89Å; E386-A390 VanDerWaalsContact O-CB 3.26Å; E386-A390 WeakPolarHBondContact O-CB 3.47Å; E386-A390 PolarHBondContact O-N 3.41Å
387N93.2Very high92.1Very high86 Ų8664.8 Ų64.846%0.4633%0.33SS..Hα-helixtrans-61.2-46174.3-76.9-33.7000111.7T383 Y385 Q391T383-N387 WeakPolarHBondContact O-CB 3.06Å; T383-N387 PolarHBondContact O-N 2.75Å; T383-N387 PolarHBondContact O-ND2 3.39Å; Y385-N387 VanDerWaalsContact C-N 3.32Å; Y385-N387 PolarHBondContact O-N 3Å; N387-Q391 WeakPolarHBondContact O-CG 3.32Å; N387-Q391 PolarHBondContact O-N 3.38Å
388Y93.1Very high91.8Very high40 Ų4071.9 Ų71.916%0.15736%0.356CS..Hα-helixtrans-62.7-46.7175-179.3-91.6000111.5F214 H384 Y385 A390 Q391 C392F214-Y388 HydrophobicContact CB-CD1 3.64Å; F214-Y388 HydrophobicContact CB-CD2 4.28Å; F214-Y388 HydrophobicContact CB-CE1 3.71Å; F214-Y388 HydrophobicContact CB-CE2 4.34Å; F214-Y388 HydrophobicContact CB-CG 3.94Å; F214-Y388 HydrophobicContact CD2-CD2 4.18Å; F214-Y388 HydrophobicContact CD2-CG 4.09Å; F214-Y388 HydrophobicContact CG-CD1 4.41Å; F214-Y388 HydrophobicContact CG-CG 4.32Å; H384-Y388 PolarHBondContact O-N 3.47Å; H384-Y388 VanDerWaalsContact O-N 3.16Å; Y385-Y388 PolarHBondContact O-N 3.49Å; Y388-A390 VanDerWaalsContact C-N 3.33Å; Y388-A390 PolarHBondContact O-N 3.13Å; Y388-Q391 WeakPolarHBondContact O-CB 3.44Å; Y388-Q391 PolarHBondContact O-N 2.88Å; Y388-Q391 VanDerWaalsContact O-N 3.1Å; Y388-C392 WeakPolarHBondContact CE1-SG 3.41Å; Y388-C392 VanDerWaalsContact CZ-SG 3.56Å; Y388-C392 PolarHBondContact O-N 3.46Å; Y388-C392 PolarHBondContact O-SG 3.25Å
389R93.2Very high91.3Very high67 Ų6773.8 Ų73.825%0.25337%0.366SS..Hα-helixtrans-59.5-43.8179.4-164.6-17985.1-159.6-6.2111.5F218 E221 Y385 E386 Q391 C392 I393F218-R389 HydrophobicContact CD2-CG 3.76Å; F218-R389 HydrophobicContact CE2-CG 3.7Å; E221-R389 IonicContact OE1-NH1 3.79Å; E221-R389 IonicContact OE2-NH1 3.21Å; Y385-R389 HydrophobicContact CE1-CB 4.48Å; Y385-R389 VanDerWaalsContact O-CB 3.28Å; Y385-R389 WeakPolarHBondContact O-CB 3.33Å; Y385-R389 PolarHBondContact O-N 3.33Å; E386-R389 VanDerWaalsContact CD-CZ 3.45Å; E386-R389 VanDerWaalsContact CD-NH2 3.33Å; E386-R389 PolarHBondContact O-N 3.18Å; E386-R389 IonicContact OE1-CZ 4Å; E386-R389 IonicContact OE1-NE 3Å; E386-R389 IonicContact OE1-NH1 3.1Å; E386-R389 PolarHBondContact OE1-NH1 3.21Å; E386-R389 IonicContact OE1-NH2 2.74Å; E386-R389 PolarHBondContact OE1-NH2 3.48Å; E386-R389 IonicContact OE2-CZ 2.63Å; E386-R389 IonicContact OE2-NE 3.55Å; E386-R389 PolarHBondContact OE2-NE 2.93Å; E386-R389 IonicContact OE2-NH1 2.87Å; E386-R389 IonicContact OE2-NH2 3.97Å; E386-R389 PolarHBondContact OE2-NH2 2.89Å; R389-Q391 VanDerWaalsContact C-N 3.31Å; R389-Q391 PolarHBondContact O-N 3.35Å; R389-C392 PolarHBondContact O-N 2.86Å; R389-I393 HydrophobicContact CG-CD1 3.88Å; R389-I393 HydrophobicContact CG-CG1 4.43Å; R389-I393 WeakPolarHBondContact O-CB 3.38Å; R389-I393 VanDerWaalsContact O-CG1 3.29Å; R389-I393 WeakPolarHBondContact O-CG1 3.5Å; R389-I393 PolarHBondContact O-N 3.17Å
390A92.7Very high90.8Very high41 Ų4175.3 Ų75.334%0.33938%0.375SS..Hα-helixtrans-59.2-42.917600000111.3E386 Y388 Q394E386-A390 VanDerWaalsContact O-CB 3.26Å; E386-A390 WeakPolarHBondContact O-CB 3.47Å; E386-A390 PolarHBondContact O-N 3.41Å; Y388-A390 VanDerWaalsContact C-N 3.33Å; Y388-A390 PolarHBondContact O-N 3.13Å; A390-Q394 WeakPolarHBondContact O-CB 3.38Å; A390-Q394 WeakPolarHBondContact O-CG 3.25Å; A390-Q394 PolarHBondContact O-N 3.13Å
391Q92.1Very high90.1Very high118 Ų11878.6 Ų78.655%0.55140%0.395SS*.Hα-helixtrans-64.1-44.7176-67.4172.31600112N387 Y388 R389 Q394 S395N387-Q391 WeakPolarHBondContact O-CG 3.32Å; N387-Q391 PolarHBondContact O-N 3.38Å; Y388-Q391 WeakPolarHBondContact O-CB 3.44Å; Y388-Q391 PolarHBondContact O-N 2.88Å; Y388-Q391 VanDerWaalsContact O-N 3.1Å; R389-Q391 VanDerWaalsContact C-N 3.31Å; R389-Q391 PolarHBondContact O-N 3.35Å; Q391-Q394 PolarHBondContact O-N 3.5Å; Q391-S395 WeakPolarHBondContact O-CB 3.21Å; Q391-S395 PolarHBondContact O-N 3.23Å
392C90.1Very high89.4Confident32 Ų3279.7 Ų79.722%0.21640%0.403CS..Hα-helixtrans-61.2-46.9176.8-70.60000112.2F218 Y388 R389 Q394 S395 M396F218-C392 HydrophobicContact CE1-CB 4.17Å; F218-C392 HydrophobicContact CE2-CB 4.46Å; F218-C392 HydrophobicContact CZ-CB 4.12Å; Y388-C392 WeakPolarHBondContact CE1-SG 3.41Å; Y388-C392 VanDerWaalsContact CZ-SG 3.56Å; Y388-C392 PolarHBondContact O-N 3.46Å; Y388-C392 PolarHBondContact O-SG 3.25Å; R389-C392 PolarHBondContact O-N 2.86Å; C392-Q394 PolarHBondContact O-N 3.35Å; C392-S395 PolarHBondContact O-N 2.86Å; C392-M396 WeakPolarHBondContact O-CB 3.2Å; C392-M396 PolarHBondContact O-N 3.13Å
393I89.8Confident88.5Confident77 Ų7777.5 Ų77.540%0.39539%0.393SS..Hα-helixtrans-63.4-42.5178.2-68.5169.5000110.8F218 R389 M396 T397F218-I393 HydrophobicContact CE2-CG1 4.32Å; F218-I393 HydrophobicContact CZ-CG1 4.42Å; R389-I393 HydrophobicContact CG-CD1 3.88Å; R389-I393 HydrophobicContact CG-CG1 4.43Å; R389-I393 WeakPolarHBondContact O-CB 3.38Å; R389-I393 VanDerWaalsContact O-CG1 3.29Å; R389-I393 WeakPolarHBondContact O-CG1 3.5Å; R389-I393 PolarHBondContact O-N 3.17Å; I393-M396 PolarHBondContact O-N 2.53Å; I393-T397 VanDerWaalsContact O-CB 3.3Å; I393-T397 WeakPolarHBondContact O-CB 3.32Å; I393-T397 PolarHBondContact O-N 3.21Å; I393-T397 PolarHBondContact O-OG1 3.2Å
394Q91.1Very high87.7Confident114 Ų11482.6 Ų82.653%0.53341%0.405SS..Hα-helixtrans-62.3-43.8176.5-75.4175.120.100111.8A390 Q391 C392 T397 R398A390-Q394 WeakPolarHBondContact O-CB 3.38Å; A390-Q394 WeakPolarHBondContact O-CG 3.25Å; A390-Q394 PolarHBondContact O-N 3.13Å; Q391-Q394 PolarHBondContact O-N 3.5Å; C392-Q394 PolarHBondContact O-N 3.35Å; Q394-T397 PolarHBondContact O-N 3.29Å; Q394-R398 WeakPolarHBondContact O-CB 3.12Å; Q394-R398 VanDerWaalsContact O-CG 3.26Å; Q394-R398 WeakPolarHBondContact O-CG 3.44Å; Q394-R398 PolarHBondContact O-N 3.45Å
395S89.6Confident86.8Confident69 Ų6986 Ų8648%0.48342%0.423SS..Hα-helixtrans-60.6-48.5176.2-174.70000111.4Q391 C392 T397 R398 L399Q391-S395 WeakPolarHBondContact O-CB 3.21Å; Q391-S395 PolarHBondContact O-N 3.23Å; C392-S395 PolarHBondContact O-N 2.86Å; S395-T397 PolarHBondContact O-N 3.09Å; S395-R398 WeakPolarHBondContact O-CB 3.5Å; S395-R398 PolarHBondContact O-N 3.43Å; S395-L399 PolarHBondContact O-N 3.18Å
396M86.5Confident85.7Confident114 Ų11492.8 Ų92.856%0.56245%0.449SS*.Hα-helixtrans-61.5-45.2177.9-169.36573.100111.9C392 I393 R398 L399 V400C392-M396 WeakPolarHBondContact O-CB 3.2Å; C392-M396 PolarHBondContact O-N 3.13Å; I393-M396 PolarHBondContact O-N 2.53Å; M396-R398 VanDerWaalsContact C-N 3.3Å; M396-R398 PolarHBondContact O-N 2.82Å; M396-L399 PolarHBondContact O-N 3.48Å; M396-L399 VanDerWaalsContact O-N 3.15Å; M396-V400 WeakPolarHBondContact O-CG2 3.38Å; M396-V400 PolarHBondContact O-N 3.06Å
397T86.5Confident84.3Confident77 Ų7794.1 Ų94.147%0.47246%0.458SS..Hα-helixtrans-61.3-40.6178-56.50000111I393 Q394 S395 L399 V400 V401I393-T397 VanDerWaalsContact O-CB 3.3Å; I393-T397 WeakPolarHBondContact O-CB 3.32Å; I393-T397 PolarHBondContact O-N 3.21Å; I393-T397 PolarHBondContact O-OG1 3.2Å; Q394-T397 PolarHBondContact O-N 3.29Å; S395-T397 PolarHBondContact O-N 3.09Å; T397-L399 PolarHBondContact O-N 3.45Å; T397-V400 PolarHBondContact O-N 2.94Å; T397-V401 HydrophobicContact CG2-CG2 4.39Å; T397-V401 WeakPolarHBondContact O-CB 3.4Å; T397-V401 VanDerWaalsContact O-CG2 3.25Å; T397-V401 WeakPolarHBondContact O-CG2 3.48Å; T397-V401 PolarHBondContact O-N 3.03Å
398R85.3Confident82.7Confident176 Ų17697.1 Ų97.166%0.66447%0.467SS*.Hα-helixtrans-62.2-40.5175.1-75.7173.3176.5-166.10.7112.1Q394 S395 M396 K402Q394-R398 WeakPolarHBondContact O-CB 3.12Å; Q394-R398 VanDerWaalsContact O-CG 3.26Å; Q394-R398 WeakPolarHBondContact O-CG 3.44Å; Q394-R398 PolarHBondContact O-N 3.45Å; S395-R398 WeakPolarHBondContact O-CB 3.5Å; S395-R398 PolarHBondContact O-N 3.43Å; M396-R398 VanDerWaalsContact C-N 3.3Å; M396-R398 PolarHBondContact O-N 2.82Å; R398-K402 WeakPolarHBondContact O-CB 3.02Å; R398-K402 VanDerWaalsContact O-CG 3.31Å; R398-K402 WeakPolarHBondContact O-CG 3.08Å; R398-K402 PolarHBondContact O-N 2.79Å
399L83.6Confident80.7Confident103 Ų103101 Ų10154%0.53949%0.49SS..Hα-helixtrans-65.1-45.9176.2-68.7174.9000111.5S395 M396 T397 V401 K402 E403S395-L399 PolarHBondContact O-N 3.18Å; M396-L399 PolarHBondContact O-N 3.48Å; M396-L399 VanDerWaalsContact O-N 3.15Å; T397-L399 PolarHBondContact O-N 3.45Å; L399-V401 VanDerWaalsContact C-N 3.34Å; L399-V401 PolarHBondContact O-N 3.44Å; L399-K402 PolarHBondContact O-N 3.36Å; L399-E403 WeakPolarHBondContact O-CB 3.48Å; L399-E403 PolarHBondContact O-N 2.99Å
400V83.3Confident78.8Confident65 Ų65102.6 Ų102.639%0.39451%0.508SS..Hα-helixtrans-62.6-39.7177.6174.70000112M396 T397 E403 R404M396-V400 WeakPolarHBondContact O-CG2 3.38Å; M396-V400 PolarHBondContact O-N 3.06Å; T397-V400 PolarHBondContact O-N 2.94Å; V400-E403 PolarHBondContact O-N 3.37Å; V400-R404 WeakPolarHBondContact O-CG 3.4Å; V400-R404 PolarHBondContact O-N 2.88Å
401V80.5Confident76.8Confident69 Ų69111.3 Ų111.342%0.41853%0.531SS..Hα-helixtrans-67-41.8176.1171.80000111.2T397 L399 R404 N405T397-V401 HydrophobicContact CG2-CG2 4.39Å; T397-V401 WeakPolarHBondContact O-CB 3.4Å; T397-V401 VanDerWaalsContact O-CG2 3.25Å; T397-V401 WeakPolarHBondContact O-CG2 3.48Å; T397-V401 PolarHBondContact O-N 3.03Å; L399-V401 VanDerWaalsContact C-N 3.34Å; L399-V401 PolarHBondContact O-N 3.44Å; V401-R404 PolarHBondContact O-N 3.1Å; V401-N405 WeakPolarHBondContact O-CB 3.46Å; V401-N405 PolarHBondContact O-N 3.25Å
402K77.9Confident74.8Confident148 Ų148113.6 Ų113.664%0.64354%0.542SS*.Hα-helixtrans-62.6-43.1175.2-77.5178.5177.3-175.20111.9R398 L399 N405 R406R398-K402 WeakPolarHBondContact O-CB 3.02Å; R398-K402 VanDerWaalsContact O-CG 3.31Å; R398-K402 WeakPolarHBondContact O-CG 3.08Å; R398-K402 PolarHBondContact O-N 2.79Å; L399-K402 PolarHBondContact O-N 3.36Å; K402-N405 PolarHBondContact O-N 3.25Å; K402-R406 WeakPolarHBondContact O-CB 3.44Å; K402-R406 PolarHBondContact O-N 2.94Å
403E75.3Confident72.4Confident89 Ų89116.5 Ų116.542%0.41656%0.563SS.*Hα-helixtrans-59.4-47.9175.7-163.772.3-159.600110.9L399 V400 N405 R406 N407L399-E403 WeakPolarHBondContact O-CB 3.48Å; L399-E403 PolarHBondContact O-N 2.99Å; V400-E403 PolarHBondContact O-N 3.37Å; E403-N405 VanDerWaalsContact C-N 3.35Å; E403-N405 PolarHBondContact O-N 3.38Å; E403-R406 VanDerWaalsContact CD-NH2 3.26Å; E403-R406 PolarHBondContact O-N 3.32Å; E403-R406 IonicContact OE1-CZ 2.79Å; E403-R406 IonicContact OE1-NH2 2.79Å; E403-R406 PolarHBondContact OE1-NH2 2.83Å; E403-R406 IonicContact OE2-CZ 3.88Å; E403-R406 IonicContact OE2-NH2 2.65Å; E403-R406 PolarHBondContact OE2-NH2 2.84Å; E403-N407 VanDerWaalsContact O-CG 3.3Å; E403-N407 PolarHBondContact O-N 3.49Å; E403-N407 PolarHBondContact O-OD1 2.8Å
404R76.6Confident70.2Confident172 Ų172116.4 Ų116.465%0.64958%0.581SS**Hα-helixtrans-62.6-38.8176.6-75179.7176.4176.50.3113V400 V401 N407 K408V400-R404 WeakPolarHBondContact O-CG 3.4Å; V400-R404 PolarHBondContact O-N 2.88Å; V401-R404 PolarHBondContact O-N 3.1Å; R404-N407 PolarHBondContact O-N 2.91Å; R404-K408 WeakPolarHBondContact O-CG 3.47Å; R404-K408 PolarHBondContact O-N 3.15Å; R404-K408 VanDerWaalsContact O-N 3.11Å
405N73.7Confident67.8Low85 Ų85117.3 Ų117.346%0.45559%0.594SS.*Hα-helixtrans-70.5-39177.4-75.3-12.3000111.7V401 K402 E403 N407 K408 L409V401-N405 WeakPolarHBondContact O-CB 3.46Å; V401-N405 PolarHBondContact O-N 3.25Å; K402-N405 PolarHBondContact O-N 3.25Å; E403-N405 VanDerWaalsContact C-N 3.35Å; E403-N405 PolarHBondContact O-N 3.38Å; N405-N407 VanDerWaalsContact C-N 3.32Å; N405-N407 PolarHBondContact O-N 3.31Å; N405-K408 PolarHBondContact O-N 3.2Å; N405-L409 PolarHBondContact O-N 2.97Å
406R72.2Confident65.2Low145 Ų145121.4 Ų121.455%0.54761%0.611SS.*Hα-helixtrans-58.6-45.6172.6-174.1174.969.5173.92111K402 E403 K408 L409 T410K402-R406 WeakPolarHBondContact O-CB 3.44Å; K402-R406 PolarHBondContact O-N 2.94Å; E403-R406 VanDerWaalsContact CD-NH2 3.26Å; E403-R406 PolarHBondContact O-N 3.32Å; E403-R406 IonicContact OE1-CZ 2.79Å; E403-R406 IonicContact OE1-NH2 2.79Å; E403-R406 PolarHBondContact OE1-NH2 2.83Å; E403-R406 IonicContact OE2-CZ 3.88Å; E403-R406 IonicContact OE2-NH2 2.65Å; E403-R406 PolarHBondContact OE2-NH2 2.84Å; R406-K408 VanDerWaalsContact C-N 3.28Å; R406-K408 PolarHBondContact O-N 2.87Å; R406-L409 PolarHBondContact O-N 3.35Å; R406-T410 PolarHBondContact O-N 3.12Å; R406-T410 PolarHBondContact O-OG1 3.38Å
407N64.7Low62.8Low90 Ų90125.4 Ų125.448%0.48163%0.625SS.*Hα-helixtrans-70.4-22.9-179.3-65.822.8000113.2E403 R404 N405 T410E403-N407 VanDerWaalsContact O-CG 3.3Å; E403-N407 PolarHBondContact O-N 3.49Å; E403-N407 PolarHBondContact O-OD1 2.8Å; R404-N407 PolarHBondContact O-N 2.91Å; N405-N407 VanDerWaalsContact C-N 3.32Å; N405-N407 PolarHBondContact O-N 3.31Å; N407-T410 WeakPolarHBondContact CA-OG1 3.44Å; N407-T410 PolarHBondContact O-OG1 2.87Å
408K59.4Low60.5Low149 Ų149127.4 Ų127.465%0.64864%0.64SS**Hα-helixtrans-76.5-38.6170.4-75.4178.3178.9-175.70112.1R404 N405 R406 T410 R411R404-K408 WeakPolarHBondContact O-CG 3.47Å; R404-K408 PolarHBondContact O-N 3.15Å; R404-K408 VanDerWaalsContact O-N 3.11Å; N405-K408 PolarHBondContact O-N 3.2Å; R406-K408 VanDerWaalsContact C-N 3.28Å; R406-K408 PolarHBondContact O-N 2.87Å; K408-T410 VanDerWaalsContact C-N 3.34Å; K408-R411 PolarHBondContact O-N 2.98Å
409L51.4Low58.3Low122 Ų122126.5 Ų126.564%0.63965%0.646SS**Hα-helixtrans-70.1-28177.6-82.7149.6000113N405 R406 R411 E412N405-L409 PolarHBondContact O-N 2.97Å; R406-L409 PolarHBondContact O-N 3.35Å; L409-R411 PolarHBondContact O-N 3.24Å; L409-E412 PolarHBondContact O-N 3.07Å
410T53.5Low56Low100 Ų100126.8 Ų126.861%0.61366%0.655SS**THydrogen-bonded Turntrans-71.6-7.3174500000114.3R406 N407 K408R406-T410 PolarHBondContact O-N 3.12Å; R406-T410 PolarHBondContact O-OG1 3.38Å; N407-T410 WeakPolarHBondContact CA-OG1 3.44Å; N407-T410 PolarHBondContact O-OG1 2.87Å; K408-T410 VanDerWaalsContact C-N 3.34Å
411R50.7Low53.9Low223 Ų223128.7 Ų128.784%0.84268%0.677SS**THydrogen-bonded Turntrans-85.7-8.2171-88.3-179.779.9152.21.1114K408 L409K408-R411 PolarHBondContact O-N 2.98Å; L409-R411 PolarHBondContact O-N 3.24Å
412E48.6Very low51.8Low167 Ų167131.4 Ų131.478%0.7869%0.694SS**SBendtrans-121.90.7-171.4-57.3-83.8147.200113.6L409L409-E412 PolarHBondContact O-N 3.07Å
413S40.5Very low50Low93 Ų93129.4 Ų129.465%0.6570%0.696SS**  trans-131.289.8178.6-64.20000111.3T415S413-T415 PolarHBondContact O-N 3.48Å
414G44.2Very low48.5Very low75 Ų75131.8 Ų131.877%0.77372%0.719SS**  trans-69.9109.515600000109
415T39.7Very low46.7Very low132 Ų132127 Ų12781%0.8172%0.724SS**  trans-174.4134.714516.60000108.6S413S413-T415 PolarHBondContact O-N 3.48Å
416D35.6Very low45.7Very low156 Ų156128.8 Ų128.883%0.83474%0.738SS**  trans-58.7123.5-168.9-58.8-67.6000114.8
417F35.2Very low45Very low197 Ų197127.2 Ų127.286%0.86474%0.74SS**  trans-146.2132.5151.2-90.6-80000110.3
418P38.2Very low45.4Very low119 Ų119127.5 Ų127.577%0.77375%0.747SS**PPolyproline II helixtrans-79.3130.1-166.631.4-33.7000111.9P420P418-P420 WeakPolarHBondContact O-CD 3.38Å
419I40.4Very low46.2Very low157 Ų157128 Ų12881%0.80575%0.751SS**PPolyproline II helixtrans-78.9125.1180-63169.7000109.5
420P34.1Very low47.3Very low110 Ų110126 Ų12671%0.71474%0.744SS**PPolyproline II helixtrans-63.5135.3172.4-21.133.3000112P418 V422P418-P420 WeakPolarHBondContact O-CD 3.38Å; P420-V422 PolarHBondContact O-N 3.16Å
421A39Very low48.4Very low104 Ų104126 Ų12686%0.8674%0.737SS**PPolyproline II helixtrans-55.4121.3179.500000112.2
422V37.7Very low50Low127 Ų127122.6 Ų122.677%0.7773%0.729SS**PPolyproline II helixtrans-80147.5168.1173.40000108.7P420P420-V422 PolarHBondContact O-N 3.16Å
423P39Very low51.8Low106 Ų106119.7 Ų119.769%0.68872%0.718SS**PPolyproline II helixtrans-69151.3-162.7-14.929.5000113.7G425P423-G425 PolarHBondContact O-N 2.96Å
424P44.3Very low53.7Low138 Ų138119.8 Ų119.890%0.89671%0.71SS**SBendtrans-75.3115.5-176.130.9-31000109.9
425G39.8Very low55.6Low73 Ų73123.9 Ų123.975%0.75370%0.702SS**  trans-172.4-8.3175.100000115.6P423P423-G425 PolarHBondContact O-N 2.96Å
426T52.8Low57.9Low122 Ų122123 Ų12375%0.74869%0.689SS**SBendtrans-84.7114.7169.137.80000109.6
427D56.2Low60.4Low111 Ų111120.8 Ų120.859%0.59467%0.672SS**  trans-48123.4179.8-96.4-41000111.6E429 T430 E431D427-E429 PolarHBondContact O-N 2.94Å; D427-E429 VanDerWaalsContact O-N 3.08Å; D427-T430 PolarHBondContact O-N 2.89Å; D427-E431 PolarHBondContact O-N 3.44Å
428P73.8Confident62.9Low97 Ų97115.5 Ų115.563%0.6365%0.653SS**Hα-helixtrans-60.8-22.2-178.824.2-33.6000112.7K432P428-K432 WeakPolarHBondContact O-CB 3.32Å; P428-K432 PolarHBondContact O-N 3.4Å; P428-K432 VanDerWaalsContact O-N 3.11Å
429E75.8Confident65.3Low159 Ų159115 Ų11574%0.74364%0.64SS**Hα-helixtrans-68.5-39.2174.1-65.9-167.7158.300112.6D427 K432 L433D427-E429 PolarHBondContact O-N 2.94Å; D427-E429 VanDerWaalsContact O-N 3.08Å; E429-K432 PolarHBondContact O-N 2.85Å; E429-L433 WeakPolarHBondContact O-CB 3.4Å; E429-L433 PolarHBondContact O-N 2.86Å
430T74.4Confident67.7Low80 Ų80111.8 Ų111.849%0.49162%0.621SS.*Hα-helixtrans-67.9-41.2179.8-54.10000110.2D427 L433 I434D427-T430 PolarHBondContact O-N 2.89Å; T430-L433 PolarHBondContact O-N 3.01Å; T430-I434 HydrophobicContact CG2-CD1 4.02Å; T430-I434 WeakPolarHBondContact O-CD1 3.45Å; T430-I434 VanDerWaalsContact O-CG1 3.25Å; T430-I434 WeakPolarHBondContact O-CG1 3.44Å; T430-I434 PolarHBondContact O-N 3.36Å
431E77.5Confident70.2Confident99 Ų99110.9 Ų110.946%0.46361%0.61SS.*Hα-helixtrans-65.8-39177-162.9-177.3165.900111.9D427 I434 R435D427-E431 PolarHBondContact O-N 3.44Å; E431-I434 PolarHBondContact O-N 2.82Å; E431-R435 WeakPolarHBondContact O-CG 3.17Å; E431-R435 PolarHBondContact O-N 3.13Å; E431-R435 VanDerWaalsContact O-N 3.08Å; E431-R435 IonicContact OE1-NH2 3.84Å
432K82.5Confident72.6Confident152 Ų152113.6 Ų113.666%0.66160%0.598SS**Hα-helixtrans-63.4-43.4174.7-171.3-177.8176.9-171.70111.9P428 E429 R435 E436P428-K432 WeakPolarHBondContact O-CB 3.32Å; P428-K432 PolarHBondContact O-N 3.4Å; P428-K432 VanDerWaalsContact O-N 3.11Å; E429-K432 PolarHBondContact O-N 2.85Å; K432-R435 PolarHBondContact O-N 2.63Å; K432-E436 PolarHBondContact O-N 3.29Å
433L86.5Confident75.1Confident107 Ų107115 Ų11556%0.5659%0.59SS**Hα-helixtrans-66.5-39.3-180-163.475000112.1E429 T430 E436 K437E429-L433 WeakPolarHBondContact O-CB 3.4Å; E429-L433 PolarHBondContact O-N 2.86Å; T430-L433 PolarHBondContact O-N 3.01Å; L433-E436 PolarHBondContact O-N 3.2Å; L433-K437 WeakPolarHBondContact O-CB 3.42Å; L433-K437 WeakPolarHBondContact O-CG 3.49Å; L433-K437 PolarHBondContact O-N 2.86Å
434I81Confident77.4Confident95 Ų95115.1 Ų115.149%0.48758%0.582SS.*Hα-helixtrans-62.7-44.5175.2-68.2165.4000110.3T430 E431 E436 K437 D438T430-I434 HydrophobicContact CG2-CD1 4.02Å; T430-I434 WeakPolarHBondContact O-CD1 3.45Å; T430-I434 VanDerWaalsContact O-CG1 3.25Å; T430-I434 WeakPolarHBondContact O-CG1 3.44Å; T430-I434 PolarHBondContact O-N 3.36Å; E431-I434 PolarHBondContact O-N 2.82Å; I434-E436 PolarHBondContact O-N 3.37Å; I434-K437 PolarHBondContact O-N 3.06Å; I434-D438 WeakPolarHBondContact O-CB 3.45Å; I434-D438 PolarHBondContact O-N 2.85Å
435R84.1Confident79.3Confident160 Ų160114.5 Ų114.560%0.60457%0.568SS**Hα-helixtrans-61.5-43.8177.4-77.7-176.9167.2-179.91.5112.8E431 K432 K437 D438 E439E431-R435 WeakPolarHBondContact O-CG 3.17Å; E431-R435 PolarHBondContact O-N 3.13Å; E431-R435 VanDerWaalsContact O-N 3.08Å; E431-R435 IonicContact OE1-NH2 3.84Å; K432-R435 PolarHBondContact O-N 2.63Å; R435-K437 PolarHBondContact O-N 2.98Å; R435-D438 PolarHBondContact O-N 3.1Å; R435-E439 WeakPolarHBondContact O-CG 3.48Å; R435-E439 PolarHBondContact O-N 3.14Å
436E88.6Confident81.7Confident113 Ų113117.2 Ų117.253%0.52856%0.561SS.*Hα-helixtrans-63.8-41.3177.8-171.9174.2-17500111.7K432 L433 I434 E439 E440K432-E436 PolarHBondContact O-N 3.29Å; L433-E436 PolarHBondContact O-N 3.2Å; I434-E436 PolarHBondContact O-N 3.37Å; E436-E439 PolarHBondContact O-N 3.02Å; E436-E440 PolarHBondContact O-N 3.34Å
437K87.9Confident83.3Confident111 Ų111117.4 Ų117.448%0.48356%0.555SS.*Hα-helixtrans-67.9-38.1176.5-75.1-72.9164.4-157.20113L433 I434 R435 E439 E440 L441L433-K437 WeakPolarHBondContact O-CB 3.42Å; L433-K437 WeakPolarHBondContact O-CG 3.49Å; L433-K437 PolarHBondContact O-N 2.86Å; I434-K437 PolarHBondContact O-N 3.06Å; R435-K437 PolarHBondContact O-N 2.98Å; K437-E439 VanDerWaalsContact C-N 3.34Å; K437-E440 IonicContact NZ-OE2 3.05Å; K437-E440 PolarHBondContact NZ-OE2 3.21Å; K437-E440 PolarHBondContact O-N 3.2Å; K437-L441 WeakPolarHBondContact O-CB 3.42Å; K437-L441 PolarHBondContact O-N 2.67Å
438D87.4Confident84.8Confident85 Ų85117.1 Ų117.146%0.45555%0.553SS.*Hα-helixtrans-65.7-36.7175.2-84.4-12.7000112.2I434 R435 R442I434-D438 WeakPolarHBondContact O-CB 3.45Å; I434-D438 PolarHBondContact O-N 2.85Å; R435-D438 PolarHBondContact O-N 3.1Å; D438-R442 WeakPolarHBondContact O-CB 3.46Å; D438-R442 PolarHBondContact O-N 2.85Å; D438-R442 VanDerWaalsContact O-N 3.07Å
439E89.1Confident85.5Confident110 Ų110118.1 Ų118.151%0.51455%0.548SS..Hα-helixtrans-68.8-37.3173.8-73.5176.7-173.400112.5R435 E436 K437 R443R435-E439 WeakPolarHBondContact O-CG 3.48Å; R435-E439 PolarHBondContact O-N 3.14Å; E436-E439 PolarHBondContact O-N 3.02Å; K437-E439 VanDerWaalsContact C-N 3.34Å; E439-R443 WeakPolarHBondContact O-CG 3.46Å; E439-R443 PolarHBondContact O-N 3.48Å; E439-R443 VanDerWaalsContact O-N 3.15Å; E439-R443 PolarHBondContact O-NE 2.77Å
440E89.8Confident86.1Confident88 Ų88116.9 Ų116.941%0.41154%0.541SS..Hα-helixtrans-66.7-45174.7-173.9167.2-146.400111.8E436 K437 R442 R443 M444E436-E440 PolarHBondContact O-N 3.34Å; K437-E440 IonicContact NZ-OE2 3.05Å; K437-E440 PolarHBondContact NZ-OE2 3.21Å; K437-E440 PolarHBondContact O-N 3.2Å; E440-R442 VanDerWaalsContact C-N 3.3Å; E440-R442 PolarHBondContact O-N 2.91Å; E440-R443 PolarHBondContact O-N 3.36Å; E440-M444 PolarHBondContact O-N 3.01Å
441L86.8Confident86.8Confident92 Ų92117 Ų11748%0.48254%0.537SS..Hα-helixtrans-59.1-40.9174.6-86.1160.6000112.1K437 M444 Q445K437-L441 WeakPolarHBondContact O-CB 3.42Å; K437-L441 PolarHBondContact O-N 2.67Å; L441-M444 PolarHBondContact O-N 3.42Å; L441-Q445 WeakPolarHBondContact O-CG 3.15Å; L441-Q445 PolarHBondContact O-N 2.93Å
442R90.3Very high87Confident160 Ų160117.9 Ų117.960%0.60454%0.542SS*.Hα-helixtrans-64.7-42.8178.4-152.4-179.5-64.5-174.11.9111.5D438 E440 Q445 E446D438-R442 WeakPolarHBondContact O-CB 3.46Å; D438-R442 PolarHBondContact O-N 2.85Å; D438-R442 VanDerWaalsContact O-N 3.07Å; E440-R442 VanDerWaalsContact C-N 3.3Å; E440-R442 PolarHBondContact O-N 2.91Å; R442-Q445 PolarHBondContact O-N 2.96Å; R442-E446 WeakPolarHBondContact O-CG 3.47Å; R442-E446 PolarHBondContact O-N 2.94Å
443R88.7Confident87.2Confident158 Ų158118.1 Ų118.160%0.59654%0.538SS*.Hα-helixtrans-62.1-42.3174.1-76.2-175.1-91.5-157.9-4.8112.4E439 E440 E446 M447E439-R443 WeakPolarHBondContact O-CG 3.46Å; E439-R443 PolarHBondContact O-N 3.48Å; E439-R443 VanDerWaalsContact O-N 3.15Å; E439-R443 PolarHBondContact O-NE 2.77Å; E440-R443 PolarHBondContact O-N 3.36Å; R443-E446 PolarHBondContact O-N 3.15Å; R443-M447 PolarHBondContact O-N 3.33Å
444M87.6Confident87.2Confident107 Ų107118.3 Ų118.353%0.52754%0.536SS..Hα-helixtrans-64.9-41.2176.1-78.7-179.150.500112.6E440 L441 M447 L448E440-M444 PolarHBondContact O-N 3.01Å; L441-M444 PolarHBondContact O-N 3.42Å; M444-M447 PolarHBondContact O-N 3.12Å; M444-L448 WeakPolarHBondContact O-CG 3.4Å; M444-L448 PolarHBondContact O-N 3.39Å
445Q84Confident87.3Confident126 Ų126119.3 Ų119.359%0.58954%0.54SS*.Hα-helixtrans-62.3-43176.4-80.3-177.4-1600112L441 R442 M447 L448 H449L441-Q445 WeakPolarHBondContact O-CG 3.15Å; L441-Q445 PolarHBondContact O-N 2.93Å; R442-Q445 PolarHBondContact O-N 2.96Å; Q445-M447 VanDerWaalsContact C-N 3.34Å; Q445-M447 PolarHBondContact O-N 3.3Å; Q445-L448 PolarHBondContact O-N 3.24Å; Q445-H449 WeakPolarHBondContact O-CB 3.36Å; Q445-H449 PolarHBondContact O-N 2.97Å
446E89.9Confident87.2Confident130 Ų130119.2 Ų119.261%0.60754%0.544SS*.Hα-helixtrans-63-40.8175.5-74176.8-173.900112.1R442 R443 H449 K450R442-E446 WeakPolarHBondContact O-CG 3.47Å; R442-E446 PolarHBondContact O-N 2.94Å; R443-E446 PolarHBondContact O-N 3.15Å; E446-H449 PolarHBondContact O-N 3.02Å; E446-K450 PolarHBondContact O-N 2.89Å
447M88Confident86.9Confident126 Ų126121.3 Ų121.362%0.62155%0.554SS**Hα-helixtrans-63.6-45.9176.1-171.8-178.6-71.800111.6R443 M444 Q445 H449 K450 I451R443-M447 PolarHBondContact O-N 3.33Å; M444-M447 PolarHBondContact O-N 3.12Å; Q445-M447 VanDerWaalsContact C-N 3.34Å; Q445-M447 PolarHBondContact O-N 3.3Å; M447-H449 VanDerWaalsContact C-N 3.34Å; M447-H449 PolarHBondContact O-N 3.15Å; M447-K450 WeakPolarHBondContact O-CB 3.47Å; M447-K450 PolarHBondContact O-N 2.99Å; M447-K450 VanDerWaalsContact O-N 3.1Å; M447-I451 HydrophobicContact CG-CD1 4.12Å; M447-I451 WeakPolarHBondContact O-CG1 3.27Å; M447-I451 PolarHBondContact O-N 3.5Å
448L87.2Confident86.4Confident105 Ų105121.5 Ų121.555%0.5557%0.565SS.*Hα-helixtrans-60.4-42.1175.4-78.8165.6000111.9M444 Q445 K450 I451 Q452M444-L448 WeakPolarHBondContact O-CG 3.4Å; M444-L448 PolarHBondContact O-N 3.39Å; Q445-L448 PolarHBondContact O-N 3.24Å; L448-K450 VanDerWaalsContact C-N 3.27Å; L448-K450 PolarHBondContact O-N 3.12Å; L448-I451 PolarHBondContact O-N 3.01Å; L448-Q452 WeakPolarHBondContact O-CB 3.49Å; L448-Q452 PolarHBondContact O-N 3.04Å
449H88.4Confident85Confident117 Ų117127.8 Ų127.854%0.54259%0.591SS.*Hα-helixtrans-63.3-32174.5-99.6-127.1000113Q445 E446 M447 R453Q445-H449 WeakPolarHBondContact O-CB 3.36Å; Q445-H449 PolarHBondContact O-N 2.97Å; E446-H449 PolarHBondContact O-N 3.02Å; M447-H449 VanDerWaalsContact C-N 3.34Å; M447-H449 PolarHBondContact O-N 3.15Å; H449-R453 PolarHBondContact O-N 3.33Å; H449-R453 PolarHBondContact O-NE 3.12Å
450K89.3Confident84.7Confident134 Ų134128.7 Ų128.758%0.58360%0.595SS**Hα-helixtrans-73.6-42.6176.1-164.1175-178.9179.60111.3E446 M447 L448 R453 Q454E446-K450 PolarHBondContact O-N 2.89Å; M447-K450 WeakPolarHBondContact O-CB 3.47Å; M447-K450 PolarHBondContact O-N 2.99Å; M447-K450 VanDerWaalsContact O-N 3.1Å; L448-K450 VanDerWaalsContact C-N 3.27Å; L448-K450 PolarHBondContact O-N 3.12Å; K450-R453 PolarHBondContact O-N 3.28Å; K450-Q454 WeakPolarHBondContact O-CG 3.4Å; K450-Q454 PolarHBondContact O-N 3.1Å
451I87.4Confident84.5Confident81 Ų81130.8 Ų130.842%0.41560%0.604SS.*Hα-helixtrans-63.6-44.2175.7-65.9166.9000110.8M447 L448 R453 Q454 M455M447-I451 HydrophobicContact CG-CD1 4.12Å; M447-I451 WeakPolarHBondContact O-CG1 3.27Å; M447-I451 PolarHBondContact O-N 3.5Å; L448-I451 PolarHBondContact O-N 3.01Å; I451-R453 VanDerWaalsContact C-N 3.28Å; I451-R453 PolarHBondContact O-N 3.18Å; I451-Q454 PolarHBondContact O-N 3.34Å; I451-M455 PolarHBondContact O-N 3.37Å
452Q82.6Confident84.3Confident119 Ų119132.9 Ų132.956%0.55661%0.611SS**Hα-helixtrans-61-35.7175.6-93.6-170.4-8.600113L448 K456L448-Q452 WeakPolarHBondContact O-CB 3.49Å; L448-Q452 PolarHBondContact O-N 3.04Å; Q452-K456 WeakPolarHBondContact O-CG 3.38Å; Q452-K456 PolarHBondContact O-N 3.19Å
453R87Confident84Confident156 Ų156131.4 Ų131.459%0.58961%0.612SS**Hα-helixtrans-67.6-45.8174.6-91-175.4-80.9169.9-8.6111.8H449 K450 I451 M455 K456 E457H449-R453 PolarHBondContact O-N 3.33Å; H449-R453 PolarHBondContact O-NE 3.12Å; K450-R453 PolarHBondContact O-N 3.28Å; I451-R453 VanDerWaalsContact C-N 3.28Å; I451-R453 PolarHBondContact O-N 3.18Å; R453-M455 VanDerWaalsContact C-N 3.33Å; R453-M455 PolarHBondContact O-N 3.13Å; R453-K456 PolarHBondContact O-N 3.31Å; R453-K456 VanDerWaalsContact O-N 3.13Å; R453-E457 PolarHBondContact O-N 2.8Å; R453-E457 VanDerWaalsContact O-N 3.11Å
454Q86.9Confident83.7Confident111 Ų111129.7 Ų129.752%0.51961%0.613SS.*Hα-helixtrans-60.9-41.7177.6-72.9-178.8-20.900112.2K450 I451 K456 E457 T458K450-Q454 WeakPolarHBondContact O-CG 3.4Å; K450-Q454 PolarHBondContact O-N 3.1Å; I451-Q454 PolarHBondContact O-N 3.34Å; Q454-K456 VanDerWaalsContact C-N 3.29Å; Q454-K456 PolarHBondContact O-N 3.32Å; Q454-E457 PolarHBondContact O-N 3.2Å; Q454-T458 PolarHBondContact O-N 3.43Å; Q454-T458 PolarHBondContact O-OG1 3.09Å; Q454-T458 VanDerWaalsContact O-OG1 3.07Å
455M82.8Confident83.4Confident117 Ų117131.2 Ų131.258%0.57662%0.618SS**Hα-helixtrans-61.7-35.5175.2-84.3-1716900113.4I451 R453 T458I451-M455 PolarHBondContact O-N 3.37Å; R453-M455 VanDerWaalsContact C-N 3.33Å; R453-M455 PolarHBondContact O-N 3.13Å; M455-T458 WeakPolarHBondContact CA-OG1 3.48Å; M455-T458 PolarHBondContact O-OG1 3.49Å
456K81.6Confident83.4Confident158 Ų158131.6 Ų131.669%0.68762%0.62SS**Hα-helixtrans-74.5-27178.3-76.4-178.8179-176.50113.2Q452 R453 Q454Q452-K456 WeakPolarHBondContact O-CG 3.38Å; Q452-K456 PolarHBondContact O-N 3.19Å; R453-K456 PolarHBondContact O-N 3.31Å; R453-K456 VanDerWaalsContact O-N 3.13Å; Q454-K456 VanDerWaalsContact C-N 3.29Å; Q454-K456 PolarHBondContact O-N 3.32Å
457E81.9Confident82.9Confident156 Ų156131.7 Ų131.773%0.72962%0.621SS**Hα-helixtrans-81.9-20.4176.9-73.3173.8-179.600112.5R453 Q454R453-E457 PolarHBondContact O-N 2.8Å; R453-E457 VanDerWaalsContact O-N 3.11Å; Q454-E457 PolarHBondContact O-N 3.2Å
458T77.1Confident82.5Confident116 Ų116132.2 Ų132.271%0.71262%0.621SS**  trans-87.1-0.8178.545.40000115.3Q454 M455Q454-T458 PolarHBondContact O-N 3.43Å; Q454-T458 PolarHBondContact O-OG1 3.09Å; Q454-T458 VanDerWaalsContact O-OG1 3.07Å; M455-T458 WeakPolarHBondContact CA-OG1 3.48Å; M455-T458 PolarHBondContact O-OG1 3.49Å
459H57.6Low82Confident216 Ų216134.6 Ų134.6100%163%0.628SS**  trans-113.40172.5-82.6-60.2000109.8

Retrieved 459 of 459 residues in 338.6 ms (Link to these results)