A0A087XZZ0_POEFO Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XZZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.9Very low41.1Very low219 Ų219139 Ų139100%1.07981%0.814SS**  0105.40-47.6-44-179.600106.4
2P55Low41.1Very low129 Ų129138.1 Ų138.184%0.83880%0.796SS**  cis-89.8-173.724.337.6-37.9000113.8
3S37.3Very low41.5Very low112 Ų112139.8 Ų139.878%0.78379%0.788SS**  trans-129.3121176.4-59.60000110.7
4L46.3Very low41.3Very low161 Ų161141.7 Ų141.784%0.84380%0.796SS**  trans-138.3115.2170.1-95172000108.1
5L43.7Very low40.8Very low165 Ų165136.6 Ų136.686%0.86479%0.788SS**  trans-145.5128.5163-77.4172.6000106.1
6V41Very low40.6Very low111 Ų111132 Ų13267%0.67378%0.779SS**  cis86.7100.728.9-1740000114
7L38.9Very low40.6Very low160 Ų160138.2 Ų138.284%0.83879%0.788SS**  trans44.4130.2148.9-83.692.4000123.4
8A35.9Very low40.3Very low98 Ų98135.1 Ų135.181%0.8179%0.791SS**  79.6150.8127.600000121.6
9G32.1Very low40Very low66 Ų66131.5 Ų131.568%0.6879%0.786SS**  trans83.4166.9173.100000115.3
10I38.9Very low39.9Very low158 Ų158132.2 Ų132.281%0.8179%0.785SS**  cis-159.7146.1-13.719.7171.9000110.4
11M36.7Very low39.8Very low150 Ų150133.7 Ų133.774%0.73979%0.789SS**  trans38.5126.5139.9-6916562.600123
12E41.2Very low39.4Very low128 Ų128128 Ų12860%0.59878%0.777SS**  86.3125.5129.3-71.5-171.3111.900124.7
13K46.2Very low38.3Very low160 Ų160124.9 Ų124.970%0.69677%0.767SS**  trans60.5113.7131.8-67.4172.4175156.10121.8
14N39.3Very low38.2Very low167 Ų167126.1 Ų126.189%0.89378%0.776SS**  168.7152.6107-84.2-33.4000110.6
15G33.7Very low37.5Very low65 Ų65121.2 Ų121.267%0.6776%0.764SS**  cis167.2155.6-7.600000112.8
16G37.3Very low36.9Very low63 Ų63123.9 Ų123.965%0.64977%0.769SS**  trans75.6152.2173.400000116.1
17Y40.4Very low36.5Very low238 Ų238122.2 Ų122.293%0.93378%0.775SS**  cis-154.6166.4-3.3-61.4-82.5000108
18G36Very low36.3Very low82 Ų82117.8 Ų117.885%0.84577%0.768SS**  cis135.7115-3.100000112.3
19G34.1Very low36.4Very low67 Ų67122.1 Ų122.169%0.69177%0.771SS**  trans-176.9119177.600000114.7
20D38.3Very low36.3Very low145 Ų145122.7 Ų122.778%0.77578%0.777SS**  trans43.6115.3149.9-50.9-49.2000120.7
21L37.8Very low36.4Very low164 Ų164123.1 Ų123.186%0.85978%0.78SS**  61131.777.2-62.3171.5000113.5
22A36.3Very low36.1Very low100 Ų100123.7 Ų123.783%0.82679%0.785SS**  cis-167.8171.6-14.300000106.8
23G32.1Very low36Very low62 Ų62123.7 Ų123.764%0.63979%0.794SS**  cis167.4176.20.800000110.2
24S35.6Very low35.5Very low139 Ų139120.5 Ų120.597%0.97280%0.797SS**  trans76.3152.1-170.8-32.10000114.5
25G31.1Very low35.9Very low57 Ų57117.8 Ų117.859%0.58879%0.788SS**  cis164.3147.5-8.100000112
26F32.5Very low36.3Very low221 Ų221121.7 Ų121.797%0.96979%0.794SS**  trans63159.4-176.5-51.9-90.2000114.3
27G31.4Very low36.9Very low77 Ų77128.1 Ų128.179%0.79481%0.807SS**  cis136.5131-7.100000111.8
28G35.7Very low37.7Very low66 Ų66124.6 Ų124.668%0.6880%0.799SS**  trans115.4149.4169.700000116.5
29E37.8Very low38.7Very low190 Ų190128 Ų12889%0.88879%0.793SS**  trans-35.8156.517053.7-102.45700119.1
30G31Very low39.6Very low78 Ų78130.2 Ų130.280%0.80479%0.789SS**  trans170.190.4168.200000116.6
31L39.5Very low40.5Very low166 Ų166129.7 Ų129.787%0.86979%0.787SS**  trans-44136.9156.817880.4000112.7
32L31.1Very low41.7Very low162 Ų162124.8 Ų124.885%0.84877%0.766SS**  trans-171.6162.3133.5-104.9173.1000114.2
33V38.4Very low43.1Very low129 Ų129127.9 Ų127.978%0.78276%0.756SS**  trans-82.3145.9-178.3171.40000111.1
34A35.9Very low44.7Very low92 Ų92127.9 Ų127.976%0.7675%0.75SS**  trans-92.8134.7164.300000109.9
35P47.7Very low46.1Very low110 Ų110126.8 Ų126.871%0.71473%0.733SS**  trans-89.2174-167.536.8-38.1000114.6
36D42.1Very low48Very low148 Ų148131.5 Ų131.579%0.79173%0.733SS**  trans-65.1135.8-176.1-47.3-101.9000114.2E38D36-E38 VanDerWaalsContact C-N 3.33Å; D36-E38 PolarHBondContact O-N 3.2Å
37E51Low49.7Very low197 Ų197125.3 Ų125.392%0.92171%0.713SS**SBendtrans-86.46.1177.8-61.6-172121.900113.8
38E56Low51.1Low164 Ų164124.4 Ų124.477%0.76670%0.698SS**SBendtrans-84.3-14.6-168.8-160.1171.316000114.7D36D36-E38 VanDerWaalsContact C-N 3.33Å; D36-E38 PolarHBondContact O-N 3.2Å
39E56.8Low52.5Low154 Ų154126.3 Ų126.372%0.7269%0.692SS**Hα-helixtrans-86-24.9-170.9-144.1-172.7158.600115.3S42 R43E39-S42 WeakPolarHBondContact O-CB 3.32Å; E39-S42 PolarHBondContact O-N 2.69Å; E39-R43 PolarHBondContact O-N 2.73Å
40D52.9Low53.9Low114 Ų114119.3 Ų119.361%0.6167%0.671SS**Hα-helixtrans-79.9-31.4-175-113.2-30.1000113.6S42 R43 A44D40-S42 PolarHBondContact O-N 2.74Å; D40-R43 WeakPolarHBondContact O-CA 3.32Å; D40-R43 WeakPolarHBondContact O-CB 3.27Å; D40-R43 PolarHBondContact O-N 3.05Å; D40-R43 WeakPolarHBondContact OD1-CD 3.14Å; D40-A44 PolarHBondContact O-N 3.06Å
41D56.8Low55Low134 Ų134122.4 Ų122.472%0.71766%0.664SS**Hα-helixtrans-60.5-39170.1-91.5-12000111R43 A44 L45D41-R43 PolarHBondContact O-N 2.73Å; D41-A44 PolarHBondContact O-N 3.46Å; D41-L45 WeakPolarHBondContact O-CB 3.48Å; D41-L45 PolarHBondContact O-N 3.39Å
42S64Low55.7Low61 Ų61120.4 Ų120.443%0.42765%0.654SS.*Hα-helixtrans-63.2-24.1172.5-69.80000112.4E39 D40 R46E39-S42 WeakPolarHBondContact O-CB 3.32Å; E39-S42 PolarHBondContact O-N 2.69Å; D40-S42 PolarHBondContact O-N 2.74Å; S42-R46 WeakPolarHBondContact O-CG 3.45Å; S42-R46 PolarHBondContact O-NE 3.3Å; S42-R46 PolarHBondContact O-NH2 3.01Å
43R65Low56.7Low165 Ų165117.7 Ų117.762%0.62365%0.648SS**Hα-helixtrans-80.6-44.7174-165.3-179.8-170.2160.93.5111.7E39 D40 D41 L45 R46 V47E39-R43 PolarHBondContact O-N 2.73Å; D40-R43 WeakPolarHBondContact O-CA 3.32Å; D40-R43 WeakPolarHBondContact O-CB 3.27Å; D40-R43 PolarHBondContact O-N 3.05Å; D40-R43 WeakPolarHBondContact OD1-CD 3.14Å; D41-R43 PolarHBondContact O-N 2.73Å; R43-L45 VanDerWaalsContact C-N 3.35Å; R43-L45 PolarHBondContact O-N 2.82Å; R43-R46 PolarHBondContact O-N 3.37Å; R43-V47 PolarHBondContact O-N 3.29Å
44A65.3Low57.3Low61 Ų61119 Ų11950%0.50465%0.65SS.*Hα-helixtrans-58.1-45.317600000111.9D40 D41 R46 V47 A48D40-A44 PolarHBondContact O-N 3.06Å; D41-A44 PolarHBondContact O-N 3.46Å; A44-R46 PolarHBondContact O-N 3Å; A44-V47 PolarHBondContact O-N 3.4Å; A44-A48 PolarHBondContact O-N 3.4Å
45L66.8Low58.1Low117 Ų117121.1 Ų121.161%0.61365%0.648SS**Hα-helixtrans-61.4-40.7178.7-16673.1000112.5D41 R43 V47 A48 L49D41-L45 WeakPolarHBondContact O-CB 3.48Å; D41-L45 PolarHBondContact O-N 3.39Å; R43-L45 VanDerWaalsContact C-N 3.35Å; R43-L45 PolarHBondContact O-N 2.82Å; L45-V47 PolarHBondContact O-N 3.5Å; L45-A48 PolarHBondContact O-N 3.47Å; L45-L49 HydrophobicContact CG-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.91Å
46R69.5Low58.3Low155 Ų155119.4 Ų119.459%0.58565%0.65SS**Hα-helixtrans-64.6-37.2176.6-79178.2-75.5-171.8-2.8112.4S42 R43 A44 G50S42-R46 WeakPolarHBondContact O-CG 3.45Å; S42-R46 PolarHBondContact O-NE 3.3Å; S42-R46 PolarHBondContact O-NH2 3.01Å; R43-R46 PolarHBondContact O-N 3.37Å; A44-R46 PolarHBondContact O-N 3Å; R46-G50 PolarHBondContact O-N 2.86Å; R46-G50 VanDerWaalsContact O-N 3.14Å
47V69.1Low58.7Low92 Ų92121 Ų12156%0.55866%0.658SS**Hα-helixtrans-68.8-41.9175.8175.10000111.5R43 A44 L45 G50 Q51R43-V47 PolarHBondContact O-N 3.29Å; A44-V47 PolarHBondContact O-N 3.4Å; L45-V47 PolarHBondContact O-N 3.5Å; V47-G50 PolarHBondContact O-N 2.79Å; V47-Q51 PolarHBondContact O-N 3.19Å
48A60.9Low58.2Low57 Ų57115.2 Ų115.247%0.47165%0.651SS.*Hα-helixtrans-62.4-46177.800000112.4A44 L45 G50 Q51 L52A44-A48 PolarHBondContact O-N 3.4Å; L45-A48 PolarHBondContact O-N 3.47Å; A48-G50 VanDerWaalsContact C-N 3.3Å; A48-G50 PolarHBondContact O-N 2.63Å; A48-Q51 PolarHBondContact O-N 3.16Å; A48-L52 PolarHBondContact O-N 3.29Å
49L64.9Low57.5Low106 Ų106117.2 Ų117.256%0.55566%0.66SS**Hα-helixtrans-63.5-35.1176.3-69.5169.9000112.3L45 Q51 L52 S53L45-L49 HydrophobicContact CG-CD1 4.32Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.91Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-Q51 PolarHBondContact O-N 2.89Å; L49-L52 PolarHBondContact O-N 2.86Å; L49-S53 PolarHBondContact O-N 3.05Å
50G67.2Low56.7Low44 Ų44113.3 Ų113.345%0.45466%0.661SS.*Hα-helixtrans-61.1-36.117600000114R46 V47 A48 S53R46-G50 PolarHBondContact O-N 2.86Å; R46-G50 VanDerWaalsContact O-N 3.14Å; V47-G50 PolarHBondContact O-N 2.79Å; A48-G50 VanDerWaalsContact C-N 3.3Å; A48-G50 PolarHBondContact O-N 2.63Å; G50-S53 PolarHBondContact O-N 3.03Å
51Q54.7Low56.1Low143 Ų143117.3 Ų117.367%0.66868%0.676SS**Hα-helixtrans-77.1-29.8179-66.4-162.2-2.400113.4V47 A48 L49 S53 L54V47-Q51 PolarHBondContact O-N 3.19Å; A48-Q51 PolarHBondContact O-N 3.16Å; L49-Q51 VanDerWaalsContact C-N 3.33Å; L49-Q51 PolarHBondContact O-N 2.89Å; Q51-S53 VanDerWaalsContact C-N 3.26Å; Q51-S53 PolarHBondContact O-N 2.83Å; Q51-L54 PolarHBondContact O-N 3.4Å
52L54.5Low55.1Low123 Ų123119.4 Ų119.464%0.64469%0.687SS**Hα-helixtrans-64.8-32.1172.8-69.1172.2000112A48 L49 L54 L55A48-L52 PolarHBondContact O-N 3.29Å; L49-L52 PolarHBondContact O-N 2.86Å; L52-L54 PolarHBondContact O-N 3.41Å; L52-L55 PolarHBondContact O-N 2.94Å
53S52.1Low53.7Low105 Ų105120.1 Ų120.173%0.73471%0.705SS**THydrogen-bonded Turntrans-70.4-8.2177.1-167.70000114.6L49 G50 Q51L49-S53 PolarHBondContact O-N 3.05Å; G50-S53 PolarHBondContact O-N 3.03Å; Q51-S53 VanDerWaalsContact C-N 3.26Å; Q51-S53 PolarHBondContact O-N 2.83Å
54L50.8Low52.3Low156 Ų156116.3 Ų116.382%0.81772%0.716SS**THydrogen-bonded Turntrans-95.6-9.1179-13679.2000113.6Q51 L52Q51-L54 PolarHBondContact O-N 3.4Å; L52-L54 PolarHBondContact O-N 3.41Å
55L52.2Low50.8Low138 Ų138117.4 Ų117.472%0.72373%0.734SS**SBendtrans-106.473.1-179.9-62.4179.9000109.8L52 L57L52-L55 PolarHBondContact O-N 2.94Å; L55-L57 PolarHBondContact O-N 2.73Å; L55-L57 VanDerWaalsContact O-N 3.08Å
56G51.8Low49.1Very low73 Ų73115.8 Ų115.875%0.75375%0.746SS**  trans-62.7106.8-171.700000114.2
57L49.4Very low47.5Very low182 Ų182113 Ų11395%0.95376%0.756SS**  trans-121.886.9159.6-68.9177.8000107.8L55L55-L57 PolarHBondContact O-N 2.73Å; L55-L57 VanDerWaalsContact O-N 3.08Å
58G41.2Very low46.3Very low75 Ų75114.6 Ų114.677%0.77377%0.768SS**  trans-139.989.6-175.400000111.5
59E41.1Very low45Very low207 Ų207118.5 Ų118.597%0.96779%0.786SS**  trans-113.6127.4166.1-56.7174.7124.700106.5
60G40.5Very low43.5Very low72 Ų72120.6 Ų120.674%0.74280%0.803SS**  cis169.7105.5-8.500000109.7
61E39.7Very low41.8Very low197 Ų197122.2 Ų122.292%0.92182%0.82SS**  trans-136.5126.1-178.5-68.4-173.596.400111.3G63E61-G63 PolarHBondContact O-N 2.83Å
62D37.5Very low40.8Very low178 Ų178122 Ų12295%0.95283%0.828SS**  trans-77.9102.4-174.5-76.4-62.4000113.1
63G33.4Very low39.9Very low77 Ų77124.7 Ų124.779%0.79484%0.838SS**  trans-104.182.3175.600000113.7E61 G65E61-G63 PolarHBondContact O-N 2.83Å; G63-G65 PolarHBondContact O-N 3.22Å
64G34.8Very low38.8Very low84 Ų84125.5 Ų125.587%0.86683%0.833SS**  trans-64.4122.4174.800000112.8
65G34.9Very low38Very low84 Ų84127.9 Ų127.987%0.86683%0.832SS**  trans-86.1167-171.700000116.3G63G63-G65 PolarHBondContact O-N 3.22Å
66G31.4Very low37.3Very low84 Ų84126.9 Ų126.987%0.86684%0.836SS**  trans-168.1119.4172.500000112.1
67A34.8Very low36.6Very low96 Ų96129.7 Ų129.779%0.79383%0.834SS**  trans-83.9160.917900000111.8
68P44.7Very low35.8Very low126 Ų126127.3 Ų127.382%0.81882%0.822SS**  trans-86.1154.2-160.233.8-36.6000114.7
69T33.7Very low35.5Very low138 Ų138130 Ų13085%0.84782%0.819SS**  trans-131.6154159.564.50000110.2
70T34Very low35.4Very low150 Ų150125.8 Ų125.892%0.9280%0.803SS**  trans-97.3135.1178.844.20000110.9
71G31Very low35.3Very low78 Ų78128.3 Ų128.380%0.80480%0.8SS**  trans-161.8141.2178.600000112.1
72V34.4Very low35.2Very low138 Ų138124.8 Ų124.884%0.83679%0.787SS**  trans-123.4123.6-178.1178.30000108.7
73Q34Very low35.2Very low181 Ų181124.4 Ų124.485%0.84678%0.779SS**  trans-178.9136.2139.5-101.2157.232.800115.1
74D28.7Very low35.4Very low121 Ų121127.6 Ų127.665%0.64777%0.773SS**  trans19.5140141.7-92.6-77.6000124.2
75R35.5Very low35.5Very low207 Ų207132.1 Ų132.178%0.78177%0.771SS**  trans87.1127.4134.4-76.3160.5-160.3-157.7-3.1123.3
76S37.5Very low35.6Very low116 Ų116135.1 Ų135.181%0.81177%0.767SS**  trans74158.8141-65.20000118.9
77N36.4Very low35.8Very low132 Ų132140 Ų14071%0.70677%0.767SS**  cis-168.5167.8-32.5-176.734.3000107.7
78N33.2Very low35.9Very low132 Ų132139.2 Ų139.271%0.70676%0.761SS**  trans68.6130179.3-66.5-17.6000115
79N35.4Very low35.4Very low131 Ų131140.4 Ų140.470%0.70176%0.76SS**  cis88118.718.7-160.223.3000116.6
80N38.3Very low35.3Very low119 Ų119138.2 Ų138.264%0.63675%0.751SS**  trans98.7130.6139.3-116.9-11.2000122.9
81N37.2Very low35.3Very low126 Ų126138.2 Ų138.267%0.67475%0.75SS**  trans65.6102143.8-77.6-28.2000123.2
82N38.7Very low35.2Very low122 Ų122138 Ų13865%0.65275%0.748SS**  51.6115.498.1-178.228000118.8
83H37.4Very low34.9Very low170 Ų170135.5 Ų135.579%0.78775%0.75SS**  trans-141.9152.5142.3-138.766.9000113.6
84H38.3Very low34.7Very low144 Ų144130.5 Ų130.567%0.66775%0.747SS**  trans-72.5158.7169.2-83.914.7000111.7
85H36.9Very low35Very low180 Ų180128.9 Ų128.983%0.83376%0.758SS**  -155.8138117.6-107.3-69.5000112.2
86N35.9Very low35.1Very low146 Ų146126.4 Ų126.478%0.78176%0.761SS**  trans-76.1146.2162-88.4-51.3000109.6
87H34.9Very low35.3Very low188 Ų188125.7 Ų125.787%0.8776%0.762SS**  trans-147.2144.4146.5-140.8-74.1000111.3
88A36.9Very low35.2Very low79 Ų79123.9 Ų123.965%0.65377%0.765SS**  trans-121140.7175.300000110.9
89N34.6Very low35.3Very low151 Ų151124.6 Ų124.681%0.80777%0.768SS**  trans-168.1133.1148.6-99.3-17.1000105.3
90S32.1Very low35.5Very low92 Ų92125 Ų12564%0.64377%0.769SS**  cis81.2123.840.7-163.70000113
91V34.2Very low35.4Very low150 Ų150127.7 Ų127.791%0.90978%0.778SS**  trans53.1148.5178.5-66.70000117.9
92G28.6Very low35.3Very low73 Ų73125 Ų12575%0.75378%0.78SS**  cis158.4144.5-700000112.5
93G28.5Very low35.4Very low86 Ų86128.7 Ų128.789%0.88779%0.79SS**  trans76.6164.7-173.500000113.1
94G30Very low35.7Very low75 Ų75125.7 Ų125.777%0.77379%0.788SS**  cis-154.8154.2-7.700000108.9
95G33.8Very low36Very low87 Ų87128.8 Ų128.890%0.89780%0.8SS**  trans-98.6130.2-175.500000113.1
96D39Very low36.4Very low156 Ų156127.8 Ų127.883%0.83480%0.8SS**  trans-112.1146.2160.664.2-52.2000110.4
97A40.4Very low36.4Very low100 Ų100127 Ų12783%0.82681%0.805SS**  trans-136.8103.2-172.300000111.6
98A35.3Very low36.6Very low95 Ų95121.7 Ų121.779%0.78579%0.793SS**  trans-132.7103.9166.800000108.1
99I35.8Very low36.6Very low146 Ų146125.7 Ų125.775%0.74980%0.802SS**  89.691.676.6-74.7-77.9000111.7
100L37.5Very low37.1Very low139 Ų139129.3 Ų129.373%0.72881%0.806SS**  trans62.6155.4162.6-78.483.5000117.3
101Q38.1Very low37.5Very low177 Ų177132 Ų13283%0.82781%0.814SS**  cis-141.9130.3-2-147.5160.2-16.600109.7
102G33.8Very low37.7Very low69 Ų69129.8 Ų129.871%0.71180%0.804SS**  trans-103.7-174.2-170.800000115.9
103K40.3Very low38.3Very low199 Ų199131.8 Ų131.887%0.86581%0.807SS**  trans-159.1155.2155.1-101.4145.5-175177.20110.5
104S45.4Very low39Very low108 Ų108131.7 Ų131.776%0.75579%0.793SS**  trans50.761.1160.155.20000120.1L106S104-L106 PolarHBondContact O-N 2.96Å
105K44.2Very low39.7Very low208 Ų208131.7 Ų131.790%0.90479%0.785SS**  trans-7359.5151.5-78.5-169.1174.2-176.30111.4
106L44.1Very low40.4Very low159 Ų159137 Ų13783%0.83279%0.787SS**  trans-138.414.7-176.9-89.5178.6000115.6S104S104-L106 PolarHBondContact O-N 2.96Å
107C37.4Very low40.6Very low131 Ų131135.6 Ų135.689%0.88578%0.784SS**SBendtrans-13649.6169.7-155.20000111.8
108A37.6Very low41.3Very low75 Ų75141.5 Ų141.562%0.6279%0.791SS**SBendtrans-14421.3-179.800000112.9
109L38.2Very low42Very low163 Ų163139.6 Ų139.685%0.85378%0.781SS**SBendtrans-129.721.3-176.1-69.3176.9000113.2
110Y44.5Very low43.1Very low227 Ų227144.8 Ų144.889%0.8979%0.791SS**SBendtrans-125.4-22.8174.3-159.1-108.3000114.9
111D40.8Very low44.5Very low150 Ų150141.7 Ų141.780%0.80279%0.793SS**SBendtrans-119.559.5173.8-145-37.4000112
112S38.3Very low46.6Very low102 Ų102137.9 Ų137.971%0.71379%0.785SS**  trans-153.637.5171.4-76.10000111.9
113S41.2Very low49.3Very low116 Ų116140 Ų14081%0.81178%0.78SS**  trans-114.937.4168.7-149.70000112.1
114S44Very low51.8Low84 Ų84133.4 Ų133.459%0.58775%0.753SS**  trans-113.438.4155.6-65.30000110.3E116 K175S114-E116 PolarHBondContact O-N 3.4Å; S114-K175 PolarHBondContact OG-NZ 2.87Å
115A43.1Very low54.2Low74 Ų74132.2 Ų132.261%0.61274%0.742SS**  trans-61.5129.8164.200000109T117A115-T117 PolarHBondContact O-N 3.4Å
116E50Low56.7Low200 Ų200124.6 Ų124.694%0.93571%0.709SS**  trans-70.767.9-176.8-70.6-157.697.500113S114 K118S114-E116 PolarHBondContact O-N 3.4Å; E116-K118 PolarHBondContact O-N 3.11Å
117T42.9Very low59.2Low125 Ų125120.7 Ų120.777%0.76769%0.694SS**  trans-68.2103158.643.90000107.9A115 G119A115-T117 PolarHBondContact O-N 3.4Å; T117-G119 PolarHBondContact O-N 2.84Å
118K53.8Low62.1Low224 Ų224114.5 Ų114.597%0.97465%0.652SS**  trans-71.154.4172.3-154.8165.4-171.7165.70110.2E116E116-K118 PolarHBondContact O-N 3.11Å
119G51.4Low64.9Low56 Ų56115.4 Ų115.458%0.57765%0.652SS**  trans-119.1151.9-166.800000111.8T117 G121T117-G119 PolarHBondContact O-N 2.84Å; G119-G121 PolarHBondContact O-N 3.18Å
120R59.3Low67.7Low254 Ų254108 Ų10896%0.95861%0.614SS**  trans-85.3112.7-162.8-57.1177.5-170.4-161.11.3111.8C122R120-C122 PolarHBondContact O-N 3.49Å
121G65.3Low70.1Confident75 Ų75101.8 Ų101.877%0.77360%0.601SS**  trans53.345.4150.300000116.9G119G119-G121 PolarHBondContact O-N 3.18Å
122C82.2Confident72.6Confident96 Ų9696.2 Ų96.265%0.64957%0.574SS**PPolyproline II helixtrans-65.9145.3169.157.10000111.1R120R120-C122 PolarHBondContact O-N 3.49Å
123N90.6Very high75.3Confident114 Ų11494.7 Ų94.761%0.6156%0.563SS**PPolyproline II helixtrans-88.4122.7169.853.9-24.9000109.9T172 G173N123-T172 HydrophobicContact CB-CG2 4.3Å; N123-G173 CarbonylContact C-O 3.45Å; N123-G173 VanDerWaalsContact CA-O 3.22Å; N123-G173 WeakPolarHBondContact CA-O 3.27Å
124I94.4Very high77.8Confident61 Ų6194.3 Ų94.331%0.31355%0.549SS..EExtended strand (participates in β ladder)trans-86.4159.8171.769.3168.5000109.9T172 G173 K175 V178I124-T172 VanDerWaalsContact O-CA 3.32Å; I124-T172 WeakPolarHBondContact O-CA 3.25Å; I124-G173 PolarHBondContact N-O 3.38Å; I124-G173 PolarHBondContact O-N 3.33Å; I124-K175 HydrophobicContact CD1-CB 4.16Å; I124-K175 HydrophobicContact CD1-CG 4.08Å; I124-V178 HydrophobicContact CD1-CB 4.13Å; I124-V178 HydrophobicContact CD1-CG1 4.06Å; I124-V178 HydrophobicContact CG1-CB 4.09Å; I124-V178 HydrophobicContact CG1-CG1 4.18Å; I124-V178 HydrophobicContact CG1-CG2 3.96Å
125T95.7Very high80.2Confident83 Ų8391 Ų9151%0.50952%0.524SS..EExtended strand (participates in β ladder)trans-125.3132.5168.2-60.20000109.9I171 T172T125-I171 CarbonylContact C-O 3.49Å; T125-I171 WeakPolarHBondContact CA-O 3.47Å; T125-T172 WeakPolarHBondContact CG2-OG1 3.22Å; T125-T172 WeakPolarHBondContact OG1-CG2 3.46Å; T125-T172 PolarHBondContact OG1-OG1 3.27Å
126E96.3Very high82.7Confident48 Ų4888.1 Ų88.122%0.22450%0.498CS..EExtended strand (participates in β ladder)trans-129.6144.8-177.5-170.3174.5-145.800111I171 V178 R182E126-I171 PolarHBondContact N-O 2.96Å; E126-I171 PolarHBondContact O-N 3.33Å; E126-V178 HydrophobicContact CB-CG1 3.62Å; E126-V178 WeakPolarHBondContact OE2-CG1 3.46Å; E126-R182 WeakPolarHBondContact OE1-CD 3.23Å; E126-R182 IonicContact OE1-CZ 3.49Å; E126-R182 IonicContact OE1-NE 3.67Å; E126-R182 IonicContact OE1-NH1 2.67Å; E126-R182 PolarHBondContact OE1-NH1 2.93Å; E126-R182 WeakPolarHBondContact OE2-CD 3.41Å
127C96.4Very high84.8Confident77 Ų7781.5 Ų81.552%0.5248%0.478SS..EExtended strand (participates in β ladder)trans-102.5130.8178.1-640000110.4V168 F169C127-V168 HydrophobicContact CB-CG1 3.88Å; C127-F169 CarbonylContact C-O 3.52Å; C127-F169 WeakPolarHBondContact CA-O 3.16Å
128V97.4Very high87.3Confident0 Ų078.6 Ų78.60%046%0.456CS..EExtended strand (participates in β ladder)trans-124.4102.6-177-175.40000109.9V168 F169 I171 R182 I185 I186V128-V168 WeakPolarHBondContact O-CA 3.43Å; V128-F169 PolarHBondContact N-O 3.37Å; V128-F169 PolarHBondContact O-N 3.44Å; V128-I171 HydrophobicContact CB-CD1 4.43Å; V128-I171 HydrophobicContact CG2-CD1 3.54Å; V128-I171 HydrophobicContact CG2-CG1 4.23Å; V128-R182 HydrophobicContact CG1-CG 4.33Å; V128-R182 HydrophobicContact CG2-CB 3.78Å; V128-R182 HydrophobicContact CG2-CG 3.65Å; V128-I185 HydrophobicContact CB-CG2 4.5Å; V128-I185 HydrophobicContact CG1-CB 4.24Å; V128-I185 HydrophobicContact CG1-CG2 3.71Å; V128-I186 HydrophobicContact CG1-CD1 4.19Å; V128-I186 HydrophobicContact CG1-CG1 3.75Å
129P96.7Very high89.3Confident95 Ų9568.4 Ų68.462%0.61741%0.412SS*.EExtended strand (participates in β ladder)trans-73.7149.5176.231.5-34.6000111.3V168P129-V168 HydrophobicContact CB-CG2 4.32Å
130V96.6Very high91.5Very high7 Ų767 Ų674%0.04239%0.392CS..  trans-133.4142.1-178167.30000109.3S132 H135 V136 I139 P167 F169 I185 A189V130-S132 VanDerWaalsContact C-N 3.27Å; V130-S132 PolarHBondContact O-N 3.43Å; V130-H135 HydrophobicContact CG1-CB 3.44Å; V130-H135 VanDerWaalsContact CG1-CB 3.44Å; V130-V136 HydrophobicContact CB-CG2 4.18Å; V130-V136 HydrophobicContact CG1-CG2 4.03Å; V130-I139 HydrophobicContact CG1-CD1 3.94Å; V130-I139 HydrophobicContact CG2-CD1 4.14Å; V130-P167 WeakPolarHBondContact CB-O 3.45Å; V130-P167 PolarHBondContact N-O 2.92Å; V130-P167 WeakPolarHBondContact O-CB 3.4Å; V130-P167 WeakPolarHBondContact O-CG 3.44Å; V130-F169 HydrophobicContact CG2-CD2 3.85Å; V130-F169 HydrophobicContact CG2-CE2 3.92Å; V130-I185 HydrophobicContact CG2-CG2 3.72Å; V130-A189 HydrophobicContact CG1-CB 4Å; V130-A189 HydrophobicContact CG2-CB 4.36Å
131P94.8Very high93.2Very high96 Ų9655.7 Ų55.762%0.62336%0.355SS*.SBendtrans-62.8-20.8-165.2-26.836.4000116.9
132S94.1Very high94.5Very high34 Ų3463.1 Ų63.124%0.23836%0.359CS..  trans-159.3165169.977.90000112.8V130 E134 H135 V136V130-S132 VanDerWaalsContact C-N 3.27Å; V130-S132 PolarHBondContact O-N 3.43Å; S132-E134 PolarHBondContact O-N 3.05Å; S132-E134 PolarHBondContact OG-N 2.99Å; S132-H135 PolarHBondContact N-ND1 2.78Å; S132-H135 WeakPolarHBondContact O-CB 3.22Å; S132-H135 PolarHBondContact O-N 3.48Å; S132-H135 VanDerWaalsContact O-N 3.17Å; S132-H135 PolarHBondContact OG-N 2.71Å; S132-H135 PolarHBondContact OG-ND1 3.44Å; S132-V136 PolarHBondContact O-N 2.82Å; S132-V136 VanDerWaalsContact O-N 3.14Å
133S94.3Very high95Very high70 Ų7067.4 Ų67.449%0.4937%0.37SS..Hα-helixtrans-63.1-19.8173.254.60000113.8A137S133-A137 PolarHBondContact O-N 2.88Å; S133-A137 VanDerWaalsContact O-N 3.13Å
134E93.7Very high95.1Very high108 Ų10862.5 Ų62.551%0.50535%0.347SS..Hα-helixtrans-75.5-40.5172.4-54.5-164.5154.400112S132 V136 A137 E138 R196S132-E134 PolarHBondContact O-N 3.05Å; S132-E134 PolarHBondContact OG-N 2.99Å; E134-V136 VanDerWaalsContact C-N 3.28Å; E134-V136 PolarHBondContact O-N 2.99Å; E134-A137 WeakPolarHBondContact O-CB 3.4Å; E134-A137 PolarHBondContact O-N 2.85Å; E134-A137 VanDerWaalsContact O-N 3.1Å; E134-E138 PolarHBondContact O-N 3.01Å; E134-R196 IonicContact OE2-CZ 3.47Å; E134-R196 IonicContact OE2-NH1 3.35Å; E134-R196 PolarHBondContact OE2-NH1 2.95Å; E134-R196 IonicContact OE2-NH2 3.18Å; E134-R196 PolarHBondContact OE2-NH2 3.35Å
135H94.9Very high95.2Very high15 Ų1563 Ų637%0.06936%0.355CS..Hα-helixtrans-60.9-40.3171.4-63.3105.5000110.7V130 S132 A137 E138 I139 S193 R196V130-H135 HydrophobicContact CG1-CB 3.44Å; V130-H135 VanDerWaalsContact CG1-CB 3.44Å; S132-H135 PolarHBondContact N-ND1 2.78Å; S132-H135 WeakPolarHBondContact O-CB 3.22Å; S132-H135 PolarHBondContact O-N 3.48Å; S132-H135 VanDerWaalsContact O-N 3.17Å; S132-H135 PolarHBondContact OG-N 2.71Å; S132-H135 PolarHBondContact OG-ND1 3.44Å; H135-A137 VanDerWaalsContact C-N 3.33Å; H135-A137 PolarHBondContact O-N 3.45Å; H135-E138 PolarHBondContact O-N 3.45Å; H135-I139 WeakPolarHBondContact O-CB 3.45Å; H135-I139 WeakPolarHBondContact O-CD1 3.49Å; H135-I139 WeakPolarHBondContact O-CG1 3.44Å; H135-I139 PolarHBondContact O-N 3.28Å; H135-S193 PolarHBondContact NE2-OG 2.83Å; H135-R196 VanDerWaalsContact NE2-CD 3.33Å; H135-R196 WeakPolarHBondContact NE2-CD 3.49Å
136V95.9Very high95.3Very high12 Ų1263.6 Ų63.67%0.07335%0.35CS..Hα-helixtrans-55.2-47.1170.9172.90000111V130 S132 E134 E138 I139 V140 T160 P161 P167 F169V130-V136 HydrophobicContact CB-CG2 4.18Å; V130-V136 HydrophobicContact CG1-CG2 4.03Å; S132-V136 PolarHBondContact O-N 2.82Å; S132-V136 VanDerWaalsContact O-N 3.14Å; E134-V136 VanDerWaalsContact C-N 3.28Å; E134-V136 PolarHBondContact O-N 2.99Å; V136-E138 PolarHBondContact O-N 3.5Å; V136-I139 PolarHBondContact O-N 3.41Å; V136-V140 HydrophobicContact CG1-CG2 4.29Å; V136-V140 WeakPolarHBondContact O-CB 3.49Å; V136-V140 WeakPolarHBondContact O-CG2 3.46Å; V136-V140 PolarHBondContact O-N 3.25Å; V136-T160 HydrophobicContact CG1-CG2 4.24Å; V136-P161 HydrophobicContact CG1-CG 4.04Å; V136-P161 HydrophobicContact CG2-CG 4.38Å; V136-P167 HydrophobicContact CG2-CB 3.64Å; V136-F169 HydrophobicContact CB-CE2 4.38Å; V136-F169 HydrophobicContact CB-CZ 4.32Å; V136-F169 HydrophobicContact CG1-CE1 4.42Å; V136-F169 HydrophobicContact CG1-CE2 4.23Å; V136-F169 HydrophobicContact CG1-CZ 3.79Å; V136-F169 HydrophobicContact CG2-CE2 3.97Å; V136-F169 HydrophobicContact CG2-CZ 4.37Å
137A94.9Very high95.3Very high62 Ų6261.6 Ų61.651%0.51234%0.341SS..Hα-helixtrans-64.3-37.7178.100000113.2S133 E134 H135 G141S133-A137 PolarHBondContact O-N 2.88Å; S133-A137 VanDerWaalsContact O-N 3.13Å; E134-A137 WeakPolarHBondContact O-CB 3.4Å; E134-A137 PolarHBondContact O-N 2.85Å; E134-A137 VanDerWaalsContact O-N 3.1Å; H135-A137 VanDerWaalsContact C-N 3.33Å; H135-A137 PolarHBondContact O-N 3.45Å; A137-G141 PolarHBondContact O-N 3.47Å
138E95Very high95.4Very high64 Ų6463.9 Ų63.930%0.29934%0.342SS..Hα-helixtrans-71.3-34.5177.3-73.7176.9-161.400113E134 H135 V136 K146 F192 R196E134-E138 PolarHBondContact O-N 3.01Å; H135-E138 PolarHBondContact O-N 3.45Å; V136-E138 PolarHBondContact O-N 3.5Å; E138-K146 WeakPolarHBondContact O-CD 3.22Å; E138-K146 PolarHBondContact O-NZ 3.23Å; E138-F192 HydrophobicContact CB-CD1 4.39Å; E138-F192 HydrophobicContact CB-CD2 3.84Å; E138-F192 HydrophobicContact CB-CE2 4.05Å; E138-F192 HydrophobicContact CB-CG 4.08Å; E138-F192 HydrophobicContact CB-CZ 4.46Å; E138-F192 WeakPolarHBondContact OE2-CB 3.32Å; E138-F192 WeakPolarHBondContact OE2-CG 3.29Å; E138-R196 IonicContact OE1-CZ 3.56Å; E138-R196 IonicContact OE1-NE 2.75Å; E138-R196 PolarHBondContact OE1-NE 3.27Å; E138-R196 IonicContact OE1-NH2 2.71Å; E138-R196 PolarHBondContact OE1-NH2 3.43Å; E138-R196 IonicContact OE2-NE 3.39Å; E138-R196 PolarHBondContact OE2-NE 3.21Å
139I96.3Very high95.3Very high9 Ų966.8 Ų66.85%0.04637%0.366CS..Hα-helixtrans-70-42.3172.2-67.2163.1000110.9V130 H135 V136 K146 F169 I185 A188 A189 F192V130-I139 HydrophobicContact CG1-CD1 3.94Å; V130-I139 HydrophobicContact CG2-CD1 4.14Å; H135-I139 WeakPolarHBondContact O-CB 3.45Å; H135-I139 WeakPolarHBondContact O-CD1 3.49Å; H135-I139 WeakPolarHBondContact O-CG1 3.44Å; H135-I139 PolarHBondContact O-N 3.28Å; V136-I139 PolarHBondContact O-N 3.41Å; I139-K146 WeakPolarHBondContact O-CB 3.41Å; I139-F169 HydrophobicContact CB-CZ 4.3Å; I139-F169 HydrophobicContact CD1-CE2 4.27Å; I139-F169 HydrophobicContact CG2-CE2 4.21Å; I139-F169 HydrophobicContact CG2-CZ 3.9Å; I139-I185 HydrophobicContact CD1-CG2 4.39Å; I139-I185 HydrophobicContact CG2-CG1 4.46Å; I139-A188 HydrophobicContact CG1-CB 4Å; I139-A189 HydrophobicContact CD1-CB 3.97Å; I139-F192 HydrophobicContact CG1-CD2 3.92Å; I139-F192 HydrophobicContact CG1-CE2 3.75Å
140V96.4Very high95.4Very high27 Ų2763.2 Ų63.216%0.16434%0.341CS..Hα-helixtrans-65.7-41.9177.3167.60000111.7V136 G144 K146 I147 T160 F169V136-V140 HydrophobicContact CG1-CG2 4.29Å; V136-V140 WeakPolarHBondContact O-CB 3.49Å; V136-V140 WeakPolarHBondContact O-CG2 3.46Å; V136-V140 PolarHBondContact O-N 3.25Å; V140-G144 CarbonylContact O-C 3.57Å; V140-G144 VanDerWaalsContact O-C 3.29Å; V140-G144 VanDerWaalsContact O-CA 3.31Å; V140-G144 WeakPolarHBondContact O-CA 3.43Å; V140-K146 PolarHBondContact O-N 3.02Å; V140-I147 HydrophobicContact CB-CG2 4.37Å; V140-I147 HydrophobicContact CG1-CG2 3.99Å; V140-I147 HydrophobicContact CG2-CB 4.47Å; V140-I147 HydrophobicContact CG2-CG2 4.36Å; V140-I147 PolarHBondContact O-N 3.36Å; V140-T160 HydrophobicContact CG2-CG2 3.5Å; V140-T160 VanDerWaalsContact CG2-CG2 3.5Å; V140-F169 HydrophobicContact CG2-CE1 4.09Å; V140-F169 HydrophobicContact CG2-CZ 4.09Å
141G94.8Very high95.4Very high17 Ų1766.6 Ų66.618%0.17535%0.353CS..  trans74.3169.9-18000000114A137 Q143 G144A137-G141 PolarHBondContact O-N 3.47Å; G141-Q143 PolarHBondContact O-N 3.05Å; G141-G144 PolarHBondContact O-N 3.04Å
142R92.9Very high95.5Very high230 Ų23065.4 Ų65.487%0.86835%0.352SS*.G310 helixtrans-57.2130.6179.6-64.7-178.8179.5178-0.7110.1G144 C145R142-G144 PolarHBondContact O-N 3.34Å; R142-C145 WeakPolarHBondContact O-CB 3.4Å; R142-C145 PolarHBondContact O-N 3.33Å; R142-C145 PolarHBondContact O-SG 3.05Å
143Q92.2Very high95.6Very high186 Ų18669.9 Ų69.987%0.86937%0.367SS*.G310 helixtrans5520.2-176.9-53.2178.41.300114.9G141 C145 K148G141-Q143 PolarHBondContact O-N 3.05Å; Q143-C145 VanDerWaalsContact C-N 3.28Å; Q143-C145 PolarHBondContact O-N 3.12Å; Q143-K148 PolarHBondContact O-NZ 2.92Å
144G94.1Very high95.7Very high12 Ų1266.7 Ų66.712%0.12434%0.344CS..G310 helixtrans68.620.3-175.100000114.5V140 G141 R142 K146 I147 K148V140-G144 CarbonylContact O-C 3.57Å; V140-G144 VanDerWaalsContact O-C 3.29Å; V140-G144 VanDerWaalsContact O-CA 3.31Å; V140-G144 WeakPolarHBondContact O-CA 3.43Å; G141-G144 PolarHBondContact O-N 3.04Å; R142-G144 PolarHBondContact O-N 3.34Å; G144-K146 PolarHBondContact O-N 2.92Å; G144-I147 WeakPolarHBondContact O-CG2 3.47Å; G144-I147 PolarHBondContact O-N 3.47Å; G144-K148 WeakPolarHBondContact O-CB 3.39Å; G144-K148 WeakPolarHBondContact O-CD 3.25Å; G144-K148 VanDerWaalsContact O-CG 3.22Å; G144-K148 WeakPolarHBondContact O-CG 3.35Å; G144-K148 PolarHBondContact O-N 2.67Å
145C96.6Very high95.8Very high72 Ų7266.8 Ų66.849%0.48635%0.348SS..Hα-helixtrans-61-41-173.965.30000113.1R142 Q143 A149R142-C145 WeakPolarHBondContact O-CB 3.4Å; R142-C145 PolarHBondContact O-N 3.33Å; R142-C145 PolarHBondContact O-SG 3.05Å; Q143-C145 VanDerWaalsContact C-N 3.28Å; Q143-C145 PolarHBondContact O-N 3.12Å; C145-A149 WeakPolarHBondContact O-CB 3.31Å; C145-A149 PolarHBondContact O-N 3.46Å
146K96.8Very high95.9Very high95 Ų9566.4 Ų66.441%0.41335%0.347SS..Hα-helixtrans-68.8-47.2179.5-68.5-177.7-178.1179.40111.6E138 I139 V140 G144 K148 A149 L150 F192E138-K146 WeakPolarHBondContact O-CD 3.22Å; E138-K146 PolarHBondContact O-NZ 3.23Å; I139-K146 WeakPolarHBondContact O-CB 3.41Å; V140-K146 PolarHBondContact O-N 3.02Å; G144-K146 PolarHBondContact O-N 2.92Å; K146-K148 VanDerWaalsContact C-N 3.31Å; K146-K148 PolarHBondContact O-N 2.88Å; K146-A149 WeakPolarHBondContact O-CB 3.4Å; K146-A149 PolarHBondContact O-N 2.74Å; K146-A149 VanDerWaalsContact O-N 3.16Å; K146-L150 PolarHBondContact O-N 3.39Å; K146-F192 VanDerWaalsContact NZ-CZ 3.34Å
147I96.9Very high96Very high5 Ų573.2 Ų73.23%0.02637%0.373CS..Hα-helixtrans-67.4-32.3179.4-168.163.3000112.2V140 G144 L150 R151 I158 F169V140-I147 HydrophobicContact CB-CG2 4.37Å; V140-I147 HydrophobicContact CG1-CG2 3.99Å; V140-I147 HydrophobicContact CG2-CB 4.47Å; V140-I147 HydrophobicContact CG2-CG2 4.36Å; V140-I147 PolarHBondContact O-N 3.36Å; G144-I147 WeakPolarHBondContact O-CG2 3.47Å; G144-I147 PolarHBondContact O-N 3.47Å; I147-L150 HydrophobicContact CD1-CD2 4.26Å; I147-L150 PolarHBondContact O-N 2.88Å; I147-R151 WeakPolarHBondContact O-CB 3.48Å; I147-R151 VanDerWaalsContact O-CG 3.25Å; I147-R151 WeakPolarHBondContact O-CG 3.21Å; I147-R151 PolarHBondContact O-N 3.1Å; I147-I158 HydrophobicContact CD1-CB 4.09Å; I147-I158 HydrophobicContact CD1-CD1 3.76Å; I147-I158 HydrophobicContact CD1-CG2 3.89Å; I147-F169 HydrophobicContact CD1-CE1 4.33Å
148K97.1Very high96.2Very high126 Ų12670.2 Ų70.255%0.54835%0.348SS..Hα-helixtrans-61.4-47.4169.4-74.1164.7-179.4163.50111.3Q143 G144 K146 L150 R151 A152Q143-K148 PolarHBondContact O-NZ 2.92Å; G144-K148 WeakPolarHBondContact O-CB 3.39Å; G144-K148 WeakPolarHBondContact O-CD 3.25Å; G144-K148 VanDerWaalsContact O-CG 3.22Å; G144-K148 WeakPolarHBondContact O-CG 3.35Å; G144-K148 PolarHBondContact O-N 2.67Å; K146-K148 VanDerWaalsContact C-N 3.31Å; K146-K148 PolarHBondContact O-N 2.88Å; K148-L150 VanDerWaalsContact C-N 3.34Å; K148-L150 PolarHBondContact O-N 2.94Å; K148-R151 PolarHBondContact O-N 2.91Å; K148-A152 WeakPolarHBondContact O-CB 3.23Å; K148-A152 PolarHBondContact O-N 2.92Å
149A97.3Very high96.2Very high60 Ų6071.8 Ų71.850%0.49635%0.354SS..Hα-helixtrans-62.9-38.3176.200000112.5C145 K146 A152 K153C145-A149 WeakPolarHBondContact O-CB 3.31Å; C145-A149 PolarHBondContact O-N 3.46Å; K146-A149 WeakPolarHBondContact O-CB 3.4Å; K146-A149 PolarHBondContact O-N 2.74Å; K146-A149 VanDerWaalsContact O-N 3.16Å; A149-A152 PolarHBondContact O-N 2.93Å; A149-K153 VanDerWaalsContact O-CB 3.29Å; A149-K153 WeakPolarHBondContact O-CB 3.46Å; A149-K153 PolarHBondContact O-N 3.22Å
150L97.2Very high96.2Very high20 Ų2073.4 Ų73.411%0.10536%0.364CS..Hα-helixtrans-69.6-43.6178.4-173.864.1000112.6K146 I147 K148 A152 K153 T154 I158 E184 I185K146-L150 PolarHBondContact O-N 3.39Å; I147-L150 HydrophobicContact CD1-CD2 4.26Å; I147-L150 PolarHBondContact O-N 2.88Å; K148-L150 VanDerWaalsContact C-N 3.34Å; K148-L150 PolarHBondContact O-N 2.94Å; L150-A152 VanDerWaalsContact C-N 3.28Å; L150-A152 PolarHBondContact O-N 3.47Å; L150-K153 PolarHBondContact O-N 3.42Å; L150-T154 HydrophobicContact CD1-CG2 4.07Å; L150-T154 PolarHBondContact O-N 2.92Å; L150-T154 PolarHBondContact O-OG1 3.33Å; L150-I158 HydrophobicContact CD2-CD1 4.05Å; L150-I158 HydrophobicContact CG-CD1 4.1Å; L150-E184 HydrophobicContact CD1-CB 3.68Å; L150-E184 HydrophobicContact CD1-CG 4.01Å; L150-E184 HydrophobicContact CD2-CB 4.43Å; L150-I185 HydrophobicContact CD2-CD1 4.23Å; L150-I185 HydrophobicContact CD2-CG1 3.68Å
151R97.4Very high96.2Very high78 Ų7872.9 Ų72.929%0.29436%0.362SS..Hα-helixtrans-56.9-42.1171.9-72.2175.2-169.9158.65.3111.3I147 K148 N155 T156 I158 T160I147-R151 WeakPolarHBondContact O-CB 3.48Å; I147-R151 VanDerWaalsContact O-CG 3.25Å; I147-R151 WeakPolarHBondContact O-CG 3.21Å; I147-R151 PolarHBondContact O-N 3.1Å; K148-R151 PolarHBondContact O-N 2.91Å; R151-N155 VanDerWaalsContact O-CA 3.32Å; R151-N155 WeakPolarHBondContact O-CA 3.14Å; R151-N155 PolarHBondContact O-N 3.19Å; R151-T156 WeakPolarHBondContact CB-O 3.44Å; R151-T156 WeakPolarHBondContact CG-O 3.4Å; R151-T156 PolarHBondContact O-N 2.95Å; R151-I158 HydrophobicContact CG-CB 3.97Å; R151-I158 HydrophobicContact CG-CD1 3.86Å; R151-I158 HydrophobicContact CG-CG1 3.93Å; R151-I158 PolarHBondContact NE-O 2.94Å; R151-I158 PolarHBondContact NH2-O 3.41Å; R151-T160 PolarHBondContact NH2-OG1 2.83Å
152A97.1Very high96Very high71 Ų7176.2 Ų76.259%0.58738%0.378SS*.Hα-helixtrans-69.5-42.8176.500000113K148 A149 L150 T154K148-A152 WeakPolarHBondContact O-CB 3.23Å; K148-A152 PolarHBondContact O-N 2.92Å; A149-A152 PolarHBondContact O-N 2.93Å; L150-A152 VanDerWaalsContact C-N 3.28Å; L150-A152 PolarHBondContact O-N 3.47Å; A152-T154 VanDerWaalsContact C-N 3.28Å; A152-T154 PolarHBondContact O-N 2.82Å
153K96.3Very high95.7Very high128 Ų12877.5 Ų77.556%0.55738%0.383SS*.Hα-helixtrans-60.8-35.5177.2179.2-178.1171.6-173.70112.6A149 L150 E184A149-K153 VanDerWaalsContact O-CB 3.29Å; A149-K153 WeakPolarHBondContact O-CB 3.46Å; A149-K153 PolarHBondContact O-N 3.22Å; L150-K153 PolarHBondContact O-N 3.42Å; K153-E184 IonicContact NZ-OE1 2.63Å; K153-E184 PolarHBondContact NZ-OE1 3.13Å; K153-E184 IonicContact NZ-OE2 2.79Å; K153-E184 PolarHBondContact NZ-OE2 3.1Å
154T96.4Very high95.4Very high3 Ų372.3 Ų72.32%0.01838%0.379CS..Hα-helixtrans-1091-173.360.90000113.9L150 A152 T156 D177 L180 A181L150-T154 HydrophobicContact CD1-CG2 4.07Å; L150-T154 PolarHBondContact O-N 2.92Å; L150-T154 PolarHBondContact O-OG1 3.33Å; A152-T154 VanDerWaalsContact C-N 3.28Å; A152-T154 PolarHBondContact O-N 2.82Å; T154-T156 WeakPolarHBondContact O-CG2 3.33Å; T154-T156 PolarHBondContact O-N 3.11Å; T154-T156 PolarHBondContact OG1-OG1 2.86Å; T154-D177 WeakPolarHBondContact O-CB 3.43Å; T154-D177 VanDerWaalsContact O-OD1 3.08Å; T154-L180 HydrophobicContact CG2-CB 4.26Å; T154-A181 HydrophobicContact CG2-CB 4.06Å
155N96.1Very high95.3Very high110 Ų11076.3 Ų76.359%0.58840%0.395SS*.THydrogen-bonded Turntrans52.323.5-175.5-52.4-76000114.9R151R151-N155 VanDerWaalsContact O-CA 3.32Å; R151-N155 WeakPolarHBondContact O-CA 3.14Å; R151-N155 PolarHBondContact O-N 3.19Å
156T97.1Very high95.2Very high7 Ų780.3 Ų80.34%0.04341%0.407CS..  trans-101.6149.5-17858.40000113R151 T154 I158 I171 D177 V178 A181R151-T156 WeakPolarHBondContact CB-O 3.44Å; R151-T156 WeakPolarHBondContact CG-O 3.4Å; R151-T156 PolarHBondContact O-N 2.95Å; T154-T156 WeakPolarHBondContact O-CG2 3.33Å; T154-T156 PolarHBondContact O-N 3.11Å; T154-T156 PolarHBondContact OG1-OG1 2.86Å; T156-I158 VanDerWaalsContact OG1-CG1 3.31Å; T156-I158 WeakPolarHBondContact OG1-CG1 3.07Å; T156-I171 HydrophobicContact CG2-CG2 3.82Å; T156-D177 HydrophobicContact CG2-CB 3.84Å; T156-D177 WeakPolarHBondContact CG2-O 3.43Å; T156-V178 HydrophobicContact CG2-CG2 4.06Å; T156-A181 HydrophobicContact CG2-CB 3.98Å
157Y97.5Very high95.2Very high155 Ų15577.6 Ų77.661%0.60840%0.399SS*.EExtended strand (participates in β ladder)trans-87.4108.1164.2179.7-98.9000109.6K159 T172Y157-K159 HydrophobicContact CE1-CB 4.37Å; Y157-T172 PolarHBondContact N-O 3.15Å; Y157-T172 PolarHBondContact O-N 2.9Å
158I97.7Very high95.2Very high0 Ų078.9 Ų78.90%041%0.407CS..EExtended strand (participates in β ladder)trans-106.4104.8-179.9-52.8166.1000110I147 L150 R151 T156 T160 F169 L170 I171 A181 I185I147-I158 HydrophobicContact CD1-CB 4.09Å; I147-I158 HydrophobicContact CD1-CD1 3.76Å; I147-I158 HydrophobicContact CD1-CG2 3.89Å; L150-I158 HydrophobicContact CD2-CD1 4.05Å; L150-I158 HydrophobicContact CG-CD1 4.1Å; R151-I158 HydrophobicContact CG-CB 3.97Å; R151-I158 HydrophobicContact CG-CD1 3.86Å; R151-I158 HydrophobicContact CG-CG1 3.93Å; R151-I158 PolarHBondContact NE-O 2.94Å; R151-I158 PolarHBondContact NH2-O 3.41Å; T156-I158 VanDerWaalsContact OG1-CG1 3.31Å; T156-I158 WeakPolarHBondContact OG1-CG1 3.07Å; I158-T160 PolarHBondContact O-N 2.95Å; I158-F169 HydrophobicContact CG2-CB 4.14Å; I158-F169 HydrophobicContact CG2-CD1 3.72Å; I158-F169 HydrophobicContact CG2-CG 4.31Å; I158-L170 CarbonylContact C-O 3.29Å; I158-L170 WeakPolarHBondContact CA-O 3.35Å; I158-I171 HydrophobicContact CG1-CG1 4.32Å; I158-I171 HydrophobicContact CG1-CG2 4.13Å; I158-I171 HydrophobicContact CG2-CG1 4.23Å; I158-A181 HydrophobicContact CD1-CB 4.33Å; I158-I185 HydrophobicContact CD1-CD1 4.37Å; I158-I185 HydrophobicContact CG2-CD1 4.13Å
159K96.7Very high95.2Very high97 Ų9772.9 Ų72.942%0.42238%0.381SS..EExtended strand (participates in β ladder)trans-68.7125.2168.5-172.4-168.2174-164.20108.9Y157 L170Y157-K159 HydrophobicContact CE1-CB 4.37Å; K159-L170 HydrophobicContact CB-CB 4.18Å; K159-L170 PolarHBondContact N-O 3.49Å; K159-L170 PolarHBondContact O-N 3.03Å
160T96.1Very high95.2Very high42 Ų4273 Ų7326%0.25837%0.373SS..PPolyproline II helixtrans-86.8132.7171.3-53.30000108.7V136 V140 R151 I158 F169V136-T160 HydrophobicContact CG1-CG2 4.24Å; V140-T160 HydrophobicContact CG2-CG2 3.5Å; V140-T160 VanDerWaalsContact CG2-CG2 3.5Å; R151-T160 PolarHBondContact NH2-OG1 2.83Å; I158-T160 PolarHBondContact O-N 2.95Å; T160-F169 HydrophobicContact CG2-CE1 4Å
161P95.4Very high95.3Very high17 Ų1772.1 Ų72.111%0.1137%0.368CS..PPolyproline II helixtrans-67.9152.5173.629.7-34.5000110.6V136 E165 E166 V168V136-P161 HydrophobicContact CG1-CG 4.04Å; V136-P161 HydrophobicContact CG2-CG 4.38Å; P161-E165 HydrophobicContact CB-CB 4.39Å; P161-E166 VanDerWaalsContact CB-O 3.25Å; P161-E166 WeakPolarHBondContact CB-O 3.21Å; P161-V168 WeakPolarHBondContact CD-O 3.32Å; P161-V168 WeakPolarHBondContact CG-O 3.31Å
162V91.1Very high95.3Very high87 Ų8770 Ų7053%0.52736%0.364SS..PPolyproline II helixtrans-79161.8-179.9-39.90000111.4G164 E165V162-G164 PolarHBondContact O-N 2.8Å; V162-E165 HydrophobicContact CG2-CB 4.18Å; V162-E165 VanDerWaalsContact CG2-CD 3.49Å; V162-E165 HydrophobicContact CG2-CG 3.7Å; V162-E165 PolarHBondContact N-OE2 2.92Å; V162-E165 PolarHBondContact O-N 3.42Å; V162-E165 VanDerWaalsContact O-N 3.13Å
163R85.6Confident95.2Very high256 Ų25667.1 Ų67.197%0.96634%0.341SS*.THydrogen-bonded Turntrans-69.797.5179.6-173.2-176.7-176.2-1680.1110.6
164G86.6Confident95.2Very high77 Ų7766.9 Ų66.979%0.79434%0.337SS*.THydrogen-bonded Turntrans126.8-14.9-178.200000113.7V162V162-G164 PolarHBondContact O-N 2.8Å
165E92.4Very high95.1Very high96 Ų9672.5 Ų72.545%0.44936%0.361SS..SBendtrans-75.6170.2164.3-82.1168.3179.500111.1P161 V162P161-E165 HydrophobicContact CB-CB 4.39Å; V162-E165 HydrophobicContact CG2-CB 4.18Å; V162-E165 VanDerWaalsContact CG2-CD 3.49Å; V162-E165 HydrophobicContact CG2-CG 3.7Å; V162-E165 PolarHBondContact N-OE2 2.92Å; V162-E165 PolarHBondContact O-N 3.42Å; V162-E165 VanDerWaalsContact O-N 3.13Å
166E95Very high95.1Very high156 Ų15672.5 Ų72.573%0.72936%0.357SS*.  trans-57.7143.4169.6-62.9-168.1125.100111.5P161 V168P161-E166 VanDerWaalsContact CB-O 3.25Å; P161-E166 WeakPolarHBondContact CB-O 3.21Å; E166-V168 HydrophobicContact CB-CG2 4.13Å; E166-V168 PolarHBondContact O-N 3.27Å
167P96.3Very high95.1Very high38 Ų3872.9 Ų72.925%0.24736%0.359CS..SBendtrans-77.156.8-177.233.7-38.3000112.7V130 V136V130-P167 WeakPolarHBondContact CB-O 3.45Å; V130-P167 PolarHBondContact N-O 2.92Å; V130-P167 WeakPolarHBondContact O-CB 3.4Å; V130-P167 WeakPolarHBondContact O-CG 3.44Å; V136-P167 HydrophobicContact CG2-CB 3.64Å
168V97Very high95.1Very high33 Ų3365.5 Ų65.520%0.233%0.33CS..EExtended strand (participates in β ladder)trans-112.9119.7-178.9-174.10000110.4C127 V128 P129 P161 E166 L170C127-V168 HydrophobicContact CB-CG1 3.88Å; V128-V168 WeakPolarHBondContact O-CA 3.43Å; P129-V168 HydrophobicContact CB-CG2 4.32Å; P161-V168 WeakPolarHBondContact CD-O 3.32Å; P161-V168 WeakPolarHBondContact CG-O 3.31Å; E166-V168 HydrophobicContact CB-CG2 4.13Å; E166-V168 PolarHBondContact O-N 3.27Å; V168-L170 HydrophobicContact CG1-CD1 4.41Å
169F97.7Very high95Very high0 Ų067.9 Ų67.90%035%0.35CS..EExtended strand (participates in β ladder)trans-82138.4168.2-70.7-86.1000110C127 V128 V130 V136 I139 V140 I147 I158 T160 I185C127-F169 CarbonylContact C-O 3.52Å; C127-F169 WeakPolarHBondContact CA-O 3.16Å; V128-F169 PolarHBondContact N-O 3.37Å; V128-F169 PolarHBondContact O-N 3.44Å; V130-F169 HydrophobicContact CG2-CD2 3.85Å; V130-F169 HydrophobicContact CG2-CE2 3.92Å; V136-F169 HydrophobicContact CB-CE2 4.38Å; V136-F169 HydrophobicContact CB-CZ 4.32Å; V136-F169 HydrophobicContact CG1-CE1 4.42Å; V136-F169 HydrophobicContact CG1-CE2 4.23Å; V136-F169 HydrophobicContact CG1-CZ 3.79Å; V136-F169 HydrophobicContact CG2-CE2 3.97Å; V136-F169 HydrophobicContact CG2-CZ 4.37Å; I139-F169 HydrophobicContact CB-CZ 4.3Å; I139-F169 HydrophobicContact CD1-CE2 4.27Å; I139-F169 HydrophobicContact CG2-CE2 4.21Å; I139-F169 HydrophobicContact CG2-CZ 3.9Å; V140-F169 HydrophobicContact CG2-CE1 4.09Å; V140-F169 HydrophobicContact CG2-CZ 4.09Å; I147-F169 HydrophobicContact CD1-CE1 4.33Å; I158-F169 HydrophobicContact CG2-CB 4.14Å; I158-F169 HydrophobicContact CG2-CD1 3.72Å; I158-F169 HydrophobicContact CG2-CG 4.31Å; T160-F169 HydrophobicContact CG2-CE1 4Å; F169-I185 HydrophobicContact CB-CD1 4.09Å; F169-I185 HydrophobicContact CD1-CD1 4.37Å; F169-I185 HydrophobicContact CD2-CD1 4.19Å; F169-I185 HydrophobicContact CD2-CG2 3.77Å; F169-I185 HydrophobicContact CE2-CG2 4.1Å; F169-I185 HydrophobicContact CG-CD1 3.98Å
170L97.6Very high95Very high63 Ų6367.3 Ų67.333%0.3335%0.351SS..EExtended strand (participates in β ladder)trans-107123.7170.1-69.270.8000108.2I158 K159 V168I158-L170 CarbonylContact C-O 3.29Å; I158-L170 WeakPolarHBondContact CA-O 3.35Å; K159-L170 HydrophobicContact CB-CB 4.18Å; K159-L170 PolarHBondContact N-O 3.49Å; K159-L170 PolarHBondContact O-N 3.03Å; V168-L170 HydrophobicContact CG1-CD1 4.41Å
171I98.1Very high95.1Very high0 Ų065.3 Ų65.30%034%0.339CS..EExtended strand (participates in β ladder)trans-115.3121.3-174-49.9179.2000108.8T125 E126 V128 T156 I158 V178 A181 R182 I185T125-I171 CarbonylContact C-O 3.49Å; T125-I171 WeakPolarHBondContact CA-O 3.47Å; E126-I171 PolarHBondContact N-O 2.96Å; E126-I171 PolarHBondContact O-N 3.33Å; V128-I171 HydrophobicContact CB-CD1 4.43Å; V128-I171 HydrophobicContact CG2-CD1 3.54Å; V128-I171 HydrophobicContact CG2-CG1 4.23Å; T156-I171 HydrophobicContact CG2-CG2 3.82Å; I158-I171 HydrophobicContact CG1-CG1 4.32Å; I158-I171 HydrophobicContact CG1-CG2 4.13Å; I158-I171 HydrophobicContact CG2-CG1 4.23Å; I171-V178 HydrophobicContact CB-CG1 4.27Å; I171-V178 HydrophobicContact CG2-CB 4.29Å; I171-V178 HydrophobicContact CG2-CG1 4.02Å; I171-V178 HydrophobicContact CG2-CG2 4.01Å; I171-A181 HydrophobicContact CD1-CB 3.95Å; I171-A181 HydrophobicContact CG2-CB 3.86Å; I171-R182 HydrophobicContact CD1-CB 4.19Å; I171-I185 HydrophobicContact CD1-CD1 3.99Å
172T96.6Very high95.2Very high34 Ų3469.8 Ų69.821%0.20935%0.354CS..EExtended strand (participates in β ladder)trans-116.5131.9175.2-55.20000110.7N123 I124 T125 Y157N123-T172 HydrophobicContact CB-CG2 4.3Å; I124-T172 VanDerWaalsContact O-CA 3.32Å; I124-T172 WeakPolarHBondContact O-CA 3.25Å; T125-T172 WeakPolarHBondContact CG2-OG1 3.22Å; T125-T172 WeakPolarHBondContact OG1-CG2 3.46Å; T125-T172 PolarHBondContact OG1-OG1 3.27Å; Y157-T172 PolarHBondContact N-O 3.15Å; Y157-T172 PolarHBondContact O-N 2.9Å
173G96.6Very high95.5Very high11 Ų1174.3 Ų74.311%0.11336%0.361CS..EExtended strand (participates in β ladder)trans171.8-166-178.500000113.3N123 I124 V178N123-G173 CarbonylContact C-O 3.45Å; N123-G173 VanDerWaalsContact CA-O 3.22Å; N123-G173 WeakPolarHBondContact CA-O 3.27Å; I124-G173 PolarHBondContact N-O 3.38Å; I124-G173 PolarHBondContact O-N 3.33Å; G173-V178 VanDerWaalsContact N-CG2 3.34Å
174R95.6Very high96.1Very high122 Ų12265.6 Ų65.646%0.4633%0.332SS..  trans-69.8156.2172.2-61.7177.4-69.6-141.2-1.6110.7E176 D177 V178R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 VanDerWaalsContact CB-OE1 3.27Å; R174-E176 WeakPolarHBondContact CB-OE1 3.39Å; R174-E176 WeakPolarHBondContact CB-OE2 3.42Å; R174-E176 WeakPolarHBondContact CD-OE1 3.18Å; R174-E176 IonicContact NE-OE1 3.46Å; R174-E176 PolarHBondContact NE-OE1 3.19Å; R174-E176 PolarHBondContact O-N 3.38Å; R174-D177 HydrophobicContact CB-CB 4.3Å; R174-D177 IonicContact CZ-OD2 3.13Å; R174-D177 IonicContact NE-OD2 2.73Å; R174-D177 PolarHBondContact NE-OD2 3.13Å; R174-D177 IonicContact NH2-OD1 3.88Å; R174-D177 IonicContact NH2-OD2 2.69Å; R174-D177 PolarHBondContact NH2-OD2 2.93Å; R174-D177 PolarHBondContact O-N 3.25Å; R174-V178 WeakPolarHBondContact O-CB 2.93Å; R174-V178 VanDerWaalsContact O-CG2 3.25Å; R174-V178 WeakPolarHBondContact O-CG2 3.2Å; R174-V178 PolarHBondContact O-N 2.98Å
175K95.2Very high96.6Very high122 Ų12262 Ų6253%0.5329%0.294SS..Hα-helixtrans-58.7-41.3-171.5-176.2169.5-178175.40112.5S114 I124 A179S114-K175 PolarHBondContact OG-NZ 2.87Å; I124-K175 HydrophobicContact CD1-CB 4.16Å; I124-K175 HydrophobicContact CD1-CG 4.08Å; K175-A179 WeakPolarHBondContact O-CB 3.5Å; K175-A179 PolarHBondContact O-N 3.41Å
176E94.8Very high96.9Very high109 Ų10960.8 Ų60.851%0.50929%0.29SS..Hα-helixtrans-68.6-43.5176.965.9-75.5-174.400113.1R174 A179 L180R174-E176 VanDerWaalsContact C-N 3.3Å; R174-E176 VanDerWaalsContact CB-OE1 3.27Å; R174-E176 WeakPolarHBondContact CB-OE1 3.39Å; R174-E176 WeakPolarHBondContact CB-OE2 3.42Å; R174-E176 WeakPolarHBondContact CD-OE1 3.18Å; R174-E176 IonicContact NE-OE1 3.46Å; R174-E176 PolarHBondContact NE-OE1 3.19Å; R174-E176 PolarHBondContact O-N 3.38Å; E176-A179 PolarHBondContact O-N 3.04Å; E176-L180 WeakPolarHBondContact O-CG 3.34Å; E176-L180 PolarHBondContact O-N 3.42Å; E176-L180 VanDerWaalsContact O-N 3.11Å
177D96.9Very high97Very high15 Ų1556.5 Ų56.58%0.0828%0.277CS..Hα-helixtrans-67.7-41.4179.3-82.1-34.8000112T154 T156 R174 L180 A181T154-D177 WeakPolarHBondContact O-CB 3.43Å; T154-D177 VanDerWaalsContact O-OD1 3.08Å; T156-D177 HydrophobicContact CG2-CB 3.84Å; T156-D177 WeakPolarHBondContact CG2-O 3.43Å; R174-D177 HydrophobicContact CB-CB 4.3Å; R174-D177 IonicContact CZ-OD2 3.13Å; R174-D177 IonicContact NE-OD2 2.73Å; R174-D177 PolarHBondContact NE-OD2 3.13Å; R174-D177 IonicContact NH2-OD1 3.88Å; R174-D177 IonicContact NH2-OD2 2.69Å; R174-D177 PolarHBondContact NH2-OD2 2.93Å; R174-D177 PolarHBondContact O-N 3.25Å; D177-L180 PolarHBondContact O-N 3.41Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 3.18Å
178V97.4Very high97Very high0 Ų056 Ų560%028%0.276CS..Hα-helixtrans-65.9-43.5176.9172.50000110.7I124 E126 T156 I171 G173 R174 L180 A181 R182I124-V178 HydrophobicContact CD1-CB 4.13Å; I124-V178 HydrophobicContact CD1-CG1 4.06Å; I124-V178 HydrophobicContact CG1-CB 4.09Å; I124-V178 HydrophobicContact CG1-CG1 4.18Å; I124-V178 HydrophobicContact CG1-CG2 3.96Å; E126-V178 HydrophobicContact CB-CG1 3.62Å; E126-V178 WeakPolarHBondContact OE2-CG1 3.46Å; T156-V178 HydrophobicContact CG2-CG2 4.06Å; I171-V178 HydrophobicContact CB-CG1 4.27Å; I171-V178 HydrophobicContact CG2-CB 4.29Å; I171-V178 HydrophobicContact CG2-CG1 4.02Å; I171-V178 HydrophobicContact CG2-CG2 4.01Å; G173-V178 VanDerWaalsContact N-CG2 3.34Å; R174-V178 WeakPolarHBondContact O-CB 2.93Å; R174-V178 VanDerWaalsContact O-CG2 3.25Å; R174-V178 WeakPolarHBondContact O-CG2 3.2Å; R174-V178 PolarHBondContact O-N 2.98Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 2.88Å; V178-A181 PolarHBondContact O-N 2.7Å; V178-R182 WeakPolarHBondContact O-CB 3.39Å; V178-R182 PolarHBondContact O-N 2.95Å
179A96.6Very high97Very high51 Ų5154.6 Ų54.642%0.42127%0.268SS..Hα-helixtrans-61.9-3817600000112.8K175 E176 R183K175-A179 WeakPolarHBondContact O-CB 3.5Å; K175-A179 PolarHBondContact O-N 3.41Å; E176-A179 PolarHBondContact O-N 3.04Å; A179-R183 WeakPolarHBondContact O-CB 3.42Å; A179-R183 PolarHBondContact O-N 2.89Å; A179-R183 VanDerWaalsContact O-N 3.12Å
180L97.2Very high96.9Very high85 Ų8560.2 Ų60.245%0.44529%0.294SS..Hα-helixtrans-64.3-49.6172.1-76.3167.3000111.5T154 E176 D177 V178 R182 R183 E184T154-L180 HydrophobicContact CG2-CB 4.26Å; E176-L180 WeakPolarHBondContact O-CG 3.34Å; E176-L180 PolarHBondContact O-N 3.42Å; E176-L180 VanDerWaalsContact O-N 3.11Å; D177-L180 PolarHBondContact O-N 3.41Å; V178-L180 VanDerWaalsContact C-N 3.33Å; V178-L180 PolarHBondContact O-N 2.88Å; L180-R182 PolarHBondContact O-N 3.08Å; L180-R183 PolarHBondContact O-N 3.47Å; L180-E184 VanDerWaalsContact O-CG 3.23Å; L180-E184 WeakPolarHBondContact O-CG 3.3Å; L180-E184 PolarHBondContact O-N 3.16Å
181A97.9Very high96.8Very high0 Ų061.6 Ų61.60%030%0.299CS..Hα-helixtrans-61.1-40.9179.200000112.7T154 T156 I158 I171 D177 V178 E184 I185T154-A181 HydrophobicContact CG2-CB 4.06Å; T156-A181 HydrophobicContact CG2-CB 3.98Å; I158-A181 HydrophobicContact CD1-CB 4.33Å; I171-A181 HydrophobicContact CD1-CB 3.95Å; I171-A181 HydrophobicContact CG2-CB 3.86Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 3.18Å; V178-A181 PolarHBondContact O-N 2.7Å; A181-E184 PolarHBondContact O-N 3.44Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 2.9Å
182R97.7Very high96.7Very high110 Ų11062.8 Ų62.842%0.41530%0.304SS..Hα-helixtrans-60.6-49173.9170.3169172.2-150.4-4.2111.7E126 V128 I171 V178 L180 E184 I185 I186E126-R182 WeakPolarHBondContact OE1-CD 3.23Å; E126-R182 IonicContact OE1-CZ 3.49Å; E126-R182 IonicContact OE1-NE 3.67Å; E126-R182 IonicContact OE1-NH1 2.67Å; E126-R182 PolarHBondContact OE1-NH1 2.93Å; E126-R182 WeakPolarHBondContact OE2-CD 3.41Å; V128-R182 HydrophobicContact CG1-CG 4.33Å; V128-R182 HydrophobicContact CG2-CB 3.78Å; V128-R182 HydrophobicContact CG2-CG 3.65Å; I171-R182 HydrophobicContact CD1-CB 4.19Å; V178-R182 WeakPolarHBondContact O-CB 3.39Å; V178-R182 PolarHBondContact O-N 2.95Å; L180-R182 PolarHBondContact O-N 3.08Å; R182-E184 VanDerWaalsContact C-N 3.35Å; R182-E184 PolarHBondContact O-N 3.14Å; R182-I185 PolarHBondContact O-N 3.4Å; R182-I186 HydrophobicContact CG-CD1 3.7Å; R182-I186 WeakPolarHBondContact O-CG1 3.35Å; R182-I186 PolarHBondContact O-N 2.73Å
183R97.6Very high96.5Very high182 Ų18263.1 Ų63.169%0.68731%0.308SS*.Hα-helixtrans-60.5-43.8179.9-171.8-176.5-63.2175.90.3111.7A179 L180 I186 S187A179-R183 WeakPolarHBondContact O-CB 3.42Å; A179-R183 PolarHBondContact O-N 2.89Å; A179-R183 VanDerWaalsContact O-N 3.12Å; L180-R183 PolarHBondContact O-N 3.47Å; R183-I186 PolarHBondContact O-N 2.78Å; R183-S187 VanDerWaalsContact O-CB 3.27Å; R183-S187 WeakPolarHBondContact O-CB 3.4Å; R183-S187 PolarHBondContact O-N 3.44Å
184E97.6Very high96.2Very high74 Ų7468 Ų6835%0.34633%0.329SS..Hα-helixtrans-64.9-40.6178.8-66-96.6159.600112.2L150 K153 L180 A181 R182 A188L150-E184 HydrophobicContact CD1-CB 3.68Å; L150-E184 HydrophobicContact CD1-CG 4.01Å; L150-E184 HydrophobicContact CD2-CB 4.43Å; K153-E184 IonicContact NZ-OE1 2.63Å; K153-E184 PolarHBondContact NZ-OE1 3.13Å; K153-E184 IonicContact NZ-OE2 2.79Å; K153-E184 PolarHBondContact NZ-OE2 3.1Å; L180-E184 VanDerWaalsContact O-CG 3.23Å; L180-E184 WeakPolarHBondContact O-CG 3.3Å; L180-E184 PolarHBondContact O-N 3.16Å; A181-E184 PolarHBondContact O-N 3.44Å; R182-E184 VanDerWaalsContact C-N 3.35Å; R182-E184 PolarHBondContact O-N 3.14Å; E184-A188 WeakPolarHBondContact O-CB 3.3Å; E184-A188 PolarHBondContact O-N 3.04Å
185I97.9Very high95.9Very high0 Ų066 Ų660%033%0.327CS..Hα-helixtrans-65.5-44.5176.6-73.1176.4000111.5V128 V130 I139 L150 I158 F169 I171 A181 R182 A188 A189V128-I185 HydrophobicContact CB-CG2 4.5Å; V128-I185 HydrophobicContact CG1-CB 4.24Å; V128-I185 HydrophobicContact CG1-CG2 3.71Å; V130-I185 HydrophobicContact CG2-CG2 3.72Å; I139-I185 HydrophobicContact CD1-CG2 4.39Å; I139-I185 HydrophobicContact CG2-CG1 4.46Å; L150-I185 HydrophobicContact CD2-CD1 4.23Å; L150-I185 HydrophobicContact CD2-CG1 3.68Å; I158-I185 HydrophobicContact CD1-CD1 4.37Å; I158-I185 HydrophobicContact CG2-CD1 4.13Å; F169-I185 HydrophobicContact CB-CD1 4.09Å; F169-I185 HydrophobicContact CD1-CD1 4.37Å; F169-I185 HydrophobicContact CD2-CD1 4.19Å; F169-I185 HydrophobicContact CD2-CG2 3.77Å; F169-I185 HydrophobicContact CE2-CG2 4.1Å; F169-I185 HydrophobicContact CG-CD1 3.98Å; I171-I185 HydrophobicContact CD1-CD1 3.99Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 2.9Å; R182-I185 PolarHBondContact O-N 3.4Å; I185-A188 PolarHBondContact O-N 2.88Å; I185-A189 WeakPolarHBondContact O-CB 3.44Å; I185-A189 PolarHBondContact O-N 3.32Å
186I97.4Very high95.4Very high72 Ų7263.8 Ų63.837%0.36932%0.315SS..Hα-helixtrans-65-49.3178.8-66.5169.2000110.4V128 R182 R183 A188 A189 E190V128-I186 HydrophobicContact CG1-CD1 4.19Å; V128-I186 HydrophobicContact CG1-CG1 3.75Å; R182-I186 HydrophobicContact CG-CD1 3.7Å; R182-I186 WeakPolarHBondContact O-CG1 3.35Å; R182-I186 PolarHBondContact O-N 2.73Å; R183-I186 PolarHBondContact O-N 2.78Å; I186-A188 VanDerWaalsContact C-N 3.3Å; I186-A188 PolarHBondContact O-N 3.07Å; I186-A189 WeakPolarHBondContact O-CB 3.25Å; I186-A189 PolarHBondContact O-N 3.03Å; I186-A189 VanDerWaalsContact O-N 3.1Å; I186-E190 PolarHBondContact O-N 3.17Å
187S97.6Very high94.7Very high66 Ų6661.7 Ų61.746%0.46232%0.317SS..Hα-helixtrans-61.6-37.5178.7-177.80000112.2R183 H191R183-S187 VanDerWaalsContact O-CB 3.27Å; R183-S187 WeakPolarHBondContact O-CB 3.4Å; R183-S187 PolarHBondContact O-N 3.44Å; S187-H191 VanDerWaalsContact O-CB 3.22Å; S187-H191 WeakPolarHBondContact O-CB 3.44Å; S187-H191 PolarHBondContact O-N 3.25Å
188A96.6Very high93.6Very high26 Ų2664 Ų6422%0.21533%0.334CS..Hα-helixtrans-65.8-42.5172.900000112.3I139 E184 I185 I186 H191 F192I139-A188 HydrophobicContact CG1-CB 4Å; E184-A188 WeakPolarHBondContact O-CB 3.3Å; E184-A188 PolarHBondContact O-N 3.04Å; I185-A188 PolarHBondContact O-N 2.88Å; I186-A188 VanDerWaalsContact C-N 3.3Å; I186-A188 PolarHBondContact O-N 3.07Å; A188-H191 PolarHBondContact O-N 2.9Å; A188-F192 HydrophobicContact CB-CE2 4.01Å; A188-F192 WeakPolarHBondContact O-CD2 3.42Å; A188-F192 VanDerWaalsContact O-CG 3.3Å; A188-F192 WeakPolarHBondContact O-CG 3.42Å; A188-F192 PolarHBondContact O-N 2.82Å
189A96.7Very high92.3Very high5 Ų573 Ų734%0.04137%0.368CS..Hα-helixtrans-61.5-43.1176.900000112.3V130 I139 I185 I186 S193V130-A189 HydrophobicContact CG1-CB 4Å; V130-A189 HydrophobicContact CG2-CB 4.36Å; I139-A189 HydrophobicContact CD1-CB 3.97Å; I185-A189 WeakPolarHBondContact O-CB 3.44Å; I185-A189 PolarHBondContact O-N 3.32Å; I186-A189 WeakPolarHBondContact O-CB 3.25Å; I186-A189 PolarHBondContact O-N 3.03Å; I186-A189 VanDerWaalsContact O-N 3.1Å; A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3.49Å; A189-S193 PolarHBondContact O-OG 3.28Å
190E96Very high90.6Very high117 Ų11777 Ų7755%0.54738%0.382SS..Hα-helixtrans-65.6-46175.7-176.9178.1-156.100111.7I186 F192 S193 M194I186-E190 PolarHBondContact O-N 3.17Å; E190-F192 PolarHBondContact O-N 2.82Å; E190-S193 WeakPolarHBondContact O-CA 3.2Å; E190-S193 VanDerWaalsContact O-CB 3.3Å; E190-S193 WeakPolarHBondContact O-CB 3.47Å; E190-S193 PolarHBondContact O-N 2.9Å; E190-S193 VanDerWaalsContact O-N 3.08Å; E190-M194 HydrophobicContact CG-CE 4.35Å; E190-M194 PolarHBondContact O-N 3.26Å
191H95Very high88.4Confident93 Ų9382 Ų8243%0.43140%0.401SS..Hα-helixtrans-59.1-43.2175.7173.7-97.7000112.5S187 A188 M194 L195S187-H191 VanDerWaalsContact O-CB 3.22Å; S187-H191 WeakPolarHBondContact O-CB 3.44Å; S187-H191 PolarHBondContact O-N 3.25Å; A188-H191 PolarHBondContact O-N 2.9Å; H191-M194 PolarHBondContact O-N 2.97Å; H191-L195 VanDerWaalsContact CE1-CD1 3.4Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.33Å; H191-L195 WeakPolarHBondContact O-CG 3.43Å; H191-L195 PolarHBondContact O-N 3.25Å
192F95Very high86.1Confident25 Ų2586.2 Ų86.211%0.1142%0.423CS..Hα-helixtrans-67-37.1173.4-64.9-43.3000112E138 I139 K146 A188 E190 M194 L195 R196E138-F192 HydrophobicContact CB-CD1 4.39Å; E138-F192 HydrophobicContact CB-CD2 3.84Å; E138-F192 HydrophobicContact CB-CE2 4.05Å; E138-F192 HydrophobicContact CB-CG 4.08Å; E138-F192 HydrophobicContact CB-CZ 4.46Å; E138-F192 WeakPolarHBondContact OE2-CB 3.32Å; E138-F192 WeakPolarHBondContact OE2-CG 3.29Å; I139-F192 HydrophobicContact CG1-CD2 3.92Å; I139-F192 HydrophobicContact CG1-CE2 3.75Å; K146-F192 VanDerWaalsContact NZ-CZ 3.34Å; A188-F192 HydrophobicContact CB-CE2 4.01Å; A188-F192 WeakPolarHBondContact O-CD2 3.42Å; A188-F192 VanDerWaalsContact O-CG 3.3Å; A188-F192 WeakPolarHBondContact O-CG 3.42Å; A188-F192 PolarHBondContact O-N 2.82Å; E190-F192 PolarHBondContact O-N 2.82Å; F192-M194 PolarHBondContact O-N 2.92Å; F192-L195 HydrophobicContact CD1-CD1 4.25Å; F192-L195 PolarHBondContact O-N 3.5Å; F192-R196 WeakPolarHBondContact O-CB 3.39Å; F192-R196 VanDerWaalsContact O-CD 3.29Å; F192-R196 WeakPolarHBondContact O-CD 3.33Å; F192-R196 VanDerWaalsContact O-CG 3.26Å; F192-R196 WeakPolarHBondContact O-CG 3.34Å; F192-R196 PolarHBondContact O-N 3.24Å
193S93.9Very high83.9Confident40 Ų4083.4 Ų83.428%0.2843%0.428SS..Hα-helixtrans-59.2-45.1173.5-58.10000111.6H135 A189 E190 R196 A197H135-S193 PolarHBondContact NE2-OG 2.83Å; A189-S193 WeakPolarHBondContact O-CB 3.46Å; A189-S193 PolarHBondContact O-N 3.49Å; A189-S193 PolarHBondContact O-OG 3.28Å; E190-S193 WeakPolarHBondContact O-CA 3.2Å; E190-S193 VanDerWaalsContact O-CB 3.3Å; E190-S193 WeakPolarHBondContact O-CB 3.47Å; E190-S193 PolarHBondContact O-N 2.9Å; E190-S193 VanDerWaalsContact O-N 3.08Å; S193-R196 PolarHBondContact O-N 2.97Å; S193-A197 PolarHBondContact O-N 3.11Å
194M89.6Confident81.6Confident115 Ų11580.4 Ų80.457%0.56743%0.429SS*.Hα-helixtrans-62.9-43.6175-71.8-166.8-81.200112.8E190 H191 F192 R196 A197 S198E190-M194 HydrophobicContact CG-CE 4.35Å; E190-M194 PolarHBondContact O-N 3.26Å; H191-M194 PolarHBondContact O-N 2.97Å; F192-M194 PolarHBondContact O-N 2.92Å; M194-R196 PolarHBondContact O-N 3.28Å; M194-A197 PolarHBondContact O-N 3.34Å; M194-S198 WeakPolarHBondContact O-CB 3.43Å; M194-S198 PolarHBondContact O-N 3.22Å; M194-S198 PolarHBondContact O-OG 3.38Å
195L89.1Confident79Confident78 Ų7881.3 Ų81.341%0.40844%0.444SS..Hα-helixtrans-63.7-27.5175.7-74.9175000113.2H191 F192 S198 R199H191-L195 VanDerWaalsContact CE1-CD1 3.4Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.33Å; H191-L195 WeakPolarHBondContact O-CG 3.43Å; H191-L195 PolarHBondContact O-N 3.25Å; F192-L195 HydrophobicContact CD1-CD1 4.25Å; F192-L195 PolarHBondContact O-N 3.5Å; L195-S198 PolarHBondContact O-OG 3.26Å; L195-R199 WeakPolarHBondContact O-CB 3.3Å; L195-R199 VanDerWaalsContact O-CD 3.28Å; L195-R199 WeakPolarHBondContact O-CD 3.04Å; L195-R199 WeakPolarHBondContact O-CG 3.46Å; L195-R199 PolarHBondContact O-N 3.33Å
196R86.1Confident76.6Confident77 Ų7791 Ų9129%0.29149%0.487SS..Hα-helixtrans-78.6-45.8175.5-73.7158159.5-96.6-10.2111E134 H135 E138 F192 S193 M194 R199 N200E134-R196 IonicContact OE2-CZ 3.47Å; E134-R196 IonicContact OE2-NH1 3.35Å; E134-R196 PolarHBondContact OE2-NH1 2.95Å; E134-R196 IonicContact OE2-NH2 3.18Å; E134-R196 PolarHBondContact OE2-NH2 3.35Å; H135-R196 VanDerWaalsContact NE2-CD 3.33Å; H135-R196 WeakPolarHBondContact NE2-CD 3.49Å; E138-R196 IonicContact OE1-CZ 3.56Å; E138-R196 IonicContact OE1-NE 2.75Å; E138-R196 PolarHBondContact OE1-NE 3.27Å; E138-R196 IonicContact OE1-NH2 2.71Å; E138-R196 PolarHBondContact OE1-NH2 3.43Å; E138-R196 IonicContact OE2-NE 3.39Å; E138-R196 PolarHBondContact OE2-NE 3.21Å; F192-R196 WeakPolarHBondContact O-CB 3.39Å; F192-R196 VanDerWaalsContact O-CD 3.29Å; F192-R196 WeakPolarHBondContact O-CD 3.33Å; F192-R196 VanDerWaalsContact O-CG 3.26Å; F192-R196 WeakPolarHBondContact O-CG 3.34Å; F192-R196 PolarHBondContact O-N 3.24Å; S193-R196 PolarHBondContact O-N 2.97Å; M194-R196 PolarHBondContact O-N 3.28Å; R196-R199 PolarHBondContact O-N 3.32Å; R196-N200 WeakPolarHBondContact O-CB 3.24Å; R196-N200 PolarHBondContact O-N 2.85Å
197A79.7Confident73.9Confident65 Ų6591.2 Ų91.254%0.53749%0.494SS..Hα-helixtrans-61.1-44.3176.600000112.8S193 M194 R199 N200 K201S193-A197 PolarHBondContact O-N 3.11Å; M194-A197 PolarHBondContact O-N 3.34Å; A197-R199 PolarHBondContact O-N 2.78Å; A197-N200 PolarHBondContact O-N 3.11Å; A197-K201 PolarHBondContact O-N 3.47Å; A197-K201 VanDerWaalsContact O-N 3.1Å
198S73.9Confident71.4Confident64 Ų6492 Ų9245%0.44851%0.513SS..Hα-helixtrans-64.9-40.6179.566.30000112.5M194 L195 K201M194-S198 WeakPolarHBondContact O-CB 3.43Å; M194-S198 PolarHBondContact O-N 3.22Å; M194-S198 PolarHBondContact O-OG 3.38Å; L195-S198 PolarHBondContact O-OG 3.26Å; S198-K201 PolarHBondContact O-N 2.94Å
199R69.9Low68.7Low187 Ų18794.3 Ų94.371%0.70653%0.527SS*.Hα-helixtrans-66.2-36.6174.8-72.4175.664.7145.53.6112.7L195 R196 A197 L202L195-R199 WeakPolarHBondContact O-CB 3.3Å; L195-R199 VanDerWaalsContact O-CD 3.28Å; L195-R199 WeakPolarHBondContact O-CD 3.04Å; L195-R199 WeakPolarHBondContact O-CG 3.46Å; L195-R199 PolarHBondContact O-N 3.33Å; R196-R199 PolarHBondContact O-N 3.32Å; A197-R199 PolarHBondContact O-N 2.78Å; R199-L202 PolarHBondContact O-N 3.37Å
200N60.1Low66.4Low135 Ų13599 Ų9972%0.72256%0.557SS**Hα-helixtrans-66-40.1177-163.955.3000111.8R196 A197 L202 G203R196-N200 WeakPolarHBondContact O-CB 3.24Å; R196-N200 PolarHBondContact O-N 2.85Å; A197-N200 PolarHBondContact O-N 3.11Å; N200-L202 PolarHBondContact O-N 3Å; N200-L202 VanDerWaalsContact O-N 3.14Å; N200-G203 PolarHBondContact O-N 3.36Å; N200-G203 VanDerWaalsContact O-N 3.08Å
201K51.2Low64.2Low192 Ų19296.4 Ų96.484%0.83555%0.55SS**Hα-helixtrans-64.5-16.2177.8-164.2173.8-179.2-178.50113.9A197 S198A197-K201 PolarHBondContact O-N 3.47Å; A197-K201 VanDerWaalsContact O-N 3.1Å; S198-K201 PolarHBondContact O-N 2.94Å
202L50.6Low62.1Low88 Ų8897.3 Ų97.346%0.46156%0.563SS.*THydrogen-bonded Turntrans-100.82.6175.8-64.2178.8000114.1R199 N200 V204 C248R199-L202 PolarHBondContact O-N 3.37Å; N200-L202 PolarHBondContact O-N 3Å; N200-L202 VanDerWaalsContact O-N 3.14Å; L202-V204 HydrophobicContact CB-CG2 4.45Å; L202-V204 PolarHBondContact O-N 3.36Å; L202-C248 HydrophobicContact CD1-CB 4.43Å; L202-C248 HydrophobicContact CD2-CB 4.07Å
203G49.8Very low60.1Low51 Ų51101.6 Ų101.653%0.52659%0.593SS.*THydrogen-bonded Turntrans63.217.3167.600000116.6N200 S205N200-G203 PolarHBondContact O-N 3.36Å; N200-G203 VanDerWaalsContact O-N 3.08Å; G203-S205 PolarHBondContact O-N 3.39Å
204V49.2Very low58.5Low118 Ų118104.7 Ų104.772%0.71561%0.606SS**  trans-7870.7-177.3-171.30000111.2L202 F206L202-V204 HydrophobicContact CB-CG2 4.45Å; L202-V204 PolarHBondContact O-N 3.36Å; V204-F206 PolarHBondContact O-N 3.34Å
205S44.1Very low56.8Low93 Ų93105.7 Ų105.765%0.6562%0.621SS**  trans-67.5111.9164.9-70.10000109.4G203 S207G203-S205 PolarHBondContact O-N 3.39Å; S205-S207 PolarHBondContact O-N 3.19Å
206F46.7Very low56Low205 Ų205105.1 Ų105.190%0.89963%0.634SS**  trans-76.4-6179.2-173.5-106.4000113.3V204V204-F206 PolarHBondContact O-N 3.34Å
207S41.3Very low55.7Low76 Ų76105 Ų10553%0.53164%0.637SS.*SBendtrans-73.5119.2167.5500000110.2S205 S209S205-S207 PolarHBondContact O-N 3.19Å; S207-S209 PolarHBondContact O-N 2.78Å
208G44.6Very low56Low83 Ų83104.5 Ų104.586%0.85663%0.627SS**  trans-72.346.1-172.900000116.7
209S41.1Very low56.8Low73 Ų73104.8 Ų104.851%0.5163%0.626SS.*SBendtrans-97135.416651.50000109.4S207S207-S209 PolarHBondContact O-N 2.78Å
210P47.3Very low57.8Low104 Ų10497.2 Ų97.268%0.67560%0.599SS**PPolyproline II helixtrans-61.9132.7174.627.1-33.7000110
211P50.9Low59.4Low62 Ų6297.3 Ų97.340%0.40360%0.596SS.*PPolyproline II helixtrans-67.4135.9175.828.3-33.4000110Y250P211-Y250 HydrophobicContact CG-CD1 4.3Å
212T50.9Low61.4Low112 Ų11288.4 Ų88.469%0.68756%0.557SS**PPolyproline II helixtrans-66.9142.7168.538.70000109.9L214T212-L214 PolarHBondContact O-N 2.71Å
213P53.2Low63.4Low115 Ų11592.8 Ų92.875%0.74757%0.568SS**  trans-60.7111.8-178-25.135.1000112.2
214L59.3Low65.4Low105 Ų10590.7 Ų90.755%0.5554%0.544SS..  trans-87.4140.6175.2-67.9171.4000110.1T212 G216 Q217T212-L214 PolarHBondContact O-N 2.71Å; L214-G216 PolarHBondContact O-N 3.3Å; L214-Q217 PolarHBondContact O-N 3.04Å
215P54.5Low67.4Low136 Ų13688.3 Ų88.388%0.88353%0.531SS*.THydrogen-bonded Turntrans-61.2113174.825.9-33.4000109.8
216G71.4Confident69.5Low66 Ų6690.3 Ų90.368%0.6853%0.526SS*.THydrogen-bonded Turntrans120.1-10.1-172.700000114.8L214L214-G216 PolarHBondContact O-N 3.3Å
217Q80.6Confident71.5Confident76 Ų7692 Ų9236%0.35553%0.526SS..  trans-103143.6164.8-70.8-177.3-26.300111L214 T265 G266L214-Q217 PolarHBondContact O-N 3.04Å; Q217-T265 HydrophobicContact CB-CG2 4.33Å; Q217-G266 CarbonylContact C-O 3.14Å; Q217-G266 VanDerWaalsContact CA-O 3.29Å; Q217-G266 WeakPolarHBondContact CA-O 3.34Å
218T85.8Confident73.8Confident53 Ų5388.9 Ų88.933%0.32550%0.504SS..EExtended strand (participates in β ladder)trans-107.3159.6167.9-167.60000110.1I220 T265 G266 P268 A271T218-I220 HydrophobicContact CG2-CG1 4.24Å; T218-T265 WeakPolarHBondContact O-CA 3.25Å; T218-G266 PolarHBondContact N-O 3.26Å; T218-G266 PolarHBondContact O-N 3.49Å; T218-G266 VanDerWaalsContact O-N 3.1Å; T218-P268 HydrophobicContact CG2-CB 4.18Å; T218-A271 HydrophobicContact CG2-CB 3.8Å
219T89.8Confident76Confident70 Ų7086 Ų8643%0.42947%0.469SS..EExtended strand (participates in β ladder)trans-117.4121.3169.444.50000110.3I264 T265T219-I264 CarbonylContact C-O 3.6Å; T219-I264 VanDerWaalsContact CA-O 3.31Å; T219-I264 WeakPolarHBondContact CA-O 3.22Å; T219-T265 HydrophobicContact CG2-CG2 3.94Å
220I91.9Very high78.4Confident28 Ų2885 Ų8514%0.14447%0.471CS..EExtended strand (participates in β ladder)trans-109.6135.7176.2-61.1-174.5000108.8T218 V222 I264 A271 E272 R275T218-I220 HydrophobicContact CG2-CG1 4.24Å; I220-V222 HydrophobicContact CG2-CG2 4.24Å; I220-I264 HydrophobicContact CB-CB 4.44Å; I220-I264 PolarHBondContact N-O 3.4Å; I220-I264 WeakPolarHBondContact O-CB 3.45Å; I220-I264 PolarHBondContact O-N 2.79Å; I220-A271 HydrophobicContact CD1-CB 3.56Å; I220-A271 HydrophobicContact CG1-CB 3.93Å; I220-E272 WeakPolarHBondContact CD1-OE2 3.44Å; I220-R275 HydrophobicContact CG2-CB 4.44Å
221Q92.9Very high80.5Confident138 Ų13884 Ų8465%0.64546%0.46SS*.EExtended strand (participates in β ladder)trans-106.4123.5178.2-69.4-174.723.100110.6V261 F262Q221-V261 HydrophobicContact CB-CG1 3.74Å; Q221-V261 HydrophobicContact CG-CG1 4.12Å; Q221-F262 WeakPolarHBondContact CA-O 3.34Å
222V93.4Very high82.5Confident4 Ų481.1 Ų81.12%0.02444%0.44CS..EExtended strand (participates in β ladder)trans-116.5105.5-178.3-173.40000109.2I220 V224 V261 F262 I264 R275 I278 E279I220-V222 HydrophobicContact CG2-CG2 4.24Å; V222-V224 HydrophobicContact CG1-CG1 4.04Å; V222-V261 WeakPolarHBondContact O-CA 3.48Å; V222-F262 HydrophobicContact CB-CB 4.49Å; V222-F262 PolarHBondContact N-O 3.28Å; V222-F262 PolarHBondContact O-N 2.93Å; V222-I264 HydrophobicContact CG2-CD1 3.53Å; V222-I264 HydrophobicContact CG2-CG1 4.31Å; V222-R275 HydrophobicContact CG1-CG 4.46Å; V222-R275 HydrophobicContact CG2-CB 3.7Å; V222-R275 HydrophobicContact CG2-CG 3.6Å; V222-I278 HydrophobicContact CG1-CG2 4.13Å; V222-E279 HydrophobicContact CG1-CG 4.29Å
223R92.4Very high84.5Confident181 Ų18177.3 Ų77.368%0.68342%0.417SS*.EExtended strand (participates in β ladder)trans-84129177.3-166178.4-158.4-172.88109.8D259 V261R223-D259 IonicContact CZ-OD1 3.31Å; R223-D259 IonicContact NE-OD1 3.15Å; R223-D259 IonicContact NH2-OD1 3.66Å; R223-D259 PolarHBondContact NH2-OD1 3.49Å; R223-V261 HydrophobicContact CB-CG2 4.08Å; R223-V261 HydrophobicContact CG-CG2 3.95Å
224V91.4Very high86.4Confident6 Ų672.4 Ų72.44%0.03639%0.388CS..  trans-132.9153.2-180-46.10000110.8V222 Y226 V228 V229 P260 F262 I278 I282V222-V224 HydrophobicContact CG1-CG1 4.04Å; V224-Y226 PolarHBondContact O-N 3.1Å; V224-V228 HydrophobicContact CB-CG2 3.97Å; V224-V228 HydrophobicContact CG2-CG2 3.98Å; V224-V229 HydrophobicContact CG2-CG2 3.6Å; V224-P260 PolarHBondContact N-O 3.5Å; V224-P260 WeakPolarHBondContact O-CB 3.34Å; V224-P260 WeakPolarHBondContact O-CG 3.42Å; V224-F262 HydrophobicContact CG1-CD2 4.28Å; V224-F262 HydrophobicContact CG2-CD2 4.14Å; V224-F262 HydrophobicContact CG2-CE2 3.75Å; V224-I278 HydrophobicContact CG1-CG2 4.22Å; V224-I282 HydrophobicContact CB-CD1 3.76Å; V224-I282 HydrophobicContact CG1-CD1 3.49Å; V224-I282 VanDerWaalsContact CG1-CD1 3.49Å; V224-I282 HydrophobicContact CG2-CD1 4.5Å
225P90.9Very high87.9Confident68 Ų6872.5 Ų72.544%0.44240%0.395SS..  trans-59138.1175.5-26.234.7000112.9R227 V228 V229P225-R227 PolarHBondContact O-N 3.45Å; P225-V228 HydrophobicContact CB-CG2 4.29Å; P225-V228 HydrophobicContact CG-CG2 4.45Å; P225-V228 VanDerWaalsContact O-CG2 3.23Å; P225-V228 WeakPolarHBondContact O-CG2 3.27Å; P225-V228 PolarHBondContact O-N 2.83Å; P225-V229 PolarHBondContact O-N 3.17Å
226Y88.8Confident89.6Confident136 Ų13675.9 Ų75.953%0.53340%0.395SS..Hα-helixtrans-47.8-36.6178.7-77-80.5000113.8V224 V228 V229 R258 P260V224-Y226 PolarHBondContact O-N 3.1Å; Y226-V228 VanDerWaalsContact C-N 3.25Å; Y226-V228 PolarHBondContact O-N 3.33Å; Y226-V229 PolarHBondContact O-N 3.25Å; Y226-R258 WeakPolarHBondContact CE1-O 3.34Å; Y226-R258 PolarHBondContact OH-O 2.7Å; Y226-P260 HydrophobicContact CD1-CB 3.96Å; Y226-P260 HydrophobicContact CD1-CG 4.27Å; Y226-P260 HydrophobicContact CD2-CG 3.99Å; Y226-P260 HydrophobicContact CE1-CB 4.08Å; Y226-P260 HydrophobicContact CE1-CG 4.21Å; Y226-P260 HydrophobicContact CE2-CG 3.92Å; Y226-P260 HydrophobicContact CG-CB 4.2Å; Y226-P260 HydrophobicContact CG-CG 4.17Å
227R88.4Confident90.6Very high240 Ų24073.2 Ų73.291%0.90637%0.368SS*.Hα-helixtrans-62.4-26.7179.4-60.7-174-174.8-172.53.7113.6P225P225-R227 PolarHBondContact O-N 3.45Å
228V90.5Very high91.2Very high10 Ų1072.5 Ų72.56%0.06137%0.372CS..Hα-helixtrans-102.2-12.8-176.9-54.90000114.1V224 P225 Y226 G230 L231 V232 I282V224-V228 HydrophobicContact CB-CG2 3.97Å; V224-V228 HydrophobicContact CG2-CG2 3.98Å; P225-V228 HydrophobicContact CB-CG2 4.29Å; P225-V228 HydrophobicContact CG-CG2 4.45Å; P225-V228 VanDerWaalsContact O-CG2 3.23Å; P225-V228 WeakPolarHBondContact O-CG2 3.27Å; P225-V228 PolarHBondContact O-N 2.83Å; Y226-V228 VanDerWaalsContact C-N 3.25Å; Y226-V228 PolarHBondContact O-N 3.33Å; V228-G230 PolarHBondContact O-N 2.97Å; V228-L231 HydrophobicContact CB-CD1 4.35Å; V228-L231 HydrophobicContact CG1-CD1 4.25Å; V228-L231 WeakPolarHBondContact O-CA 3.37Å; V228-L231 WeakPolarHBondContact O-CB 3.3Å; V228-L231 PolarHBondContact O-N 3.15Å; V228-V232 PolarHBondContact O-N 3.21Å; V228-I282 HydrophobicContact CB-CG1 4.27Å; V228-I282 HydrophobicContact CB-CG2 4.36Å; V228-I282 HydrophobicContact CG1-CG2 4.27Å; V228-I282 HydrophobicContact CG2-CD1 3.87Å; V228-I282 HydrophobicContact CG2-CG1 3.88Å; V228-I282 HydrophobicContact CG2-CG2 4.02Å
229V90.5Very high91.6Very high23 Ų2370.5 Ų70.514%0.13936%0.359CS..Hα-helixtrans-51.1-44.9175178.20000111.2V224 P225 Y226 L231 V232 V233 P254 P260 F262V224-V229 HydrophobicContact CG2-CG2 3.6Å; P225-V229 PolarHBondContact O-N 3.17Å; Y226-V229 PolarHBondContact O-N 3.25Å; V229-L231 VanDerWaalsContact C-N 3.28Å; V229-L231 PolarHBondContact O-N 3.24Å; V229-V232 PolarHBondContact O-N 3.04Å; V229-V233 HydrophobicContact CG1-CG2 4.42Å; V229-V233 WeakPolarHBondContact O-CG2 3.28Å; V229-V233 PolarHBondContact O-N 2.88Å; V229-P254 HydrophobicContact CG1-CG 4.4Å; V229-P260 HydrophobicContact CG2-CB 3.73Å; V229-F262 HydrophobicContact CG1-CE2 4.32Å; V229-F262 HydrophobicContact CG1-CZ 3.95Å
230G91.4Very high91.8Very high53 Ų5367.5 Ų67.555%0.54634%0.34SS..Hα-helixtrans-64.6-27.3177.800000114.6V228 G234V228-G230 PolarHBondContact O-N 2.97Å; G230-G234 PolarHBondContact O-N 3.31Å
231L91.1Very high92Very high83 Ų8372.3 Ų72.344%0.43536%0.36SS..Hα-helixtrans-76.7-44176.2-56.2177.2000111V228 V229 G234V228-L231 HydrophobicContact CB-CD1 4.35Å; V228-L231 HydrophobicContact CG1-CD1 4.25Å; V228-L231 WeakPolarHBondContact O-CA 3.37Å; V228-L231 WeakPolarHBondContact O-CB 3.3Å; V228-L231 PolarHBondContact O-N 3.15Å; V229-L231 VanDerWaalsContact C-N 3.28Å; V229-L231 PolarHBondContact O-N 3.24Å; L231-G234 PolarHBondContact O-N 3.08Å
232V93.1Very high92Very high0 Ų071.1 Ų71.10%035%0.35CS..Hα-helixtrans-63.1-41.4176.3174.80000111.3V228 V229 T239 I240 F262 I278 I282V228-V232 PolarHBondContact O-N 3.21Å; V229-V232 PolarHBondContact O-N 3.04Å; V232-T239 WeakPolarHBondContact O-CB 3.1Å; V232-T239 WeakPolarHBondContact O-CG2 3.17Å; V232-I240 HydrophobicContact CG1-CD1 4.07Å; V232-I240 PolarHBondContact O-N 3.29Å; V232-I240 VanDerWaalsContact O-N 3.15Å; V232-F262 HydrophobicContact CB-CE2 4.18Å; V232-F262 HydrophobicContact CB-CZ 3.98Å; V232-F262 HydrophobicContact CG1-CE1 4.18Å; V232-F262 HydrophobicContact CG1-CE2 3.84Å; V232-F262 HydrophobicContact CG1-CZ 3.6Å; V232-I278 HydrophobicContact CG1-CD1 4.41Å; V232-I278 HydrophobicContact CG1-CG1 4.05Å; V232-I278 HydrophobicContact CG1-CG2 4.01Å; V232-I278 HydrophobicContact CG2-CG2 4.23Å; V232-I282 HydrophobicContact CG2-CD1 3.84Å; V232-I282 HydrophobicContact CG2-CG1 3.59Å
233V93.6Very high92Very high32 Ų3271 Ų7119%0.19435%0.349CS..Hα-helixtrans-67.5-48.9172.8175.30000110.6V229 G237 S238 T239 I240 T253 F262V229-V233 HydrophobicContact CG1-CG2 4.42Å; V229-V233 WeakPolarHBondContact O-CG2 3.28Å; V229-V233 PolarHBondContact O-N 2.88Å; V233-G237 CarbonylContact O-C 3.52Å; V233-G237 WeakPolarHBondContact O-CA 3.44Å; V233-S238 PolarHBondContact O-N 3.48Å; V233-T239 WeakPolarHBondContact O-CB 3.48Å; V233-T239 PolarHBondContact O-N 2.99Å; V233-T239 VanDerWaalsContact O-N 3.08Å; V233-I240 HydrophobicContact CB-CG2 4.44Å; V233-I240 HydrophobicContact CG1-CG2 4.26Å; V233-I240 PolarHBondContact O-N 3.34Å; V233-T253 HydrophobicContact CG2-CG2 3.48Å; V233-T253 VanDerWaalsContact CG2-CG2 3.48Å; V233-F262 HydrophobicContact CG2-CE1 4.15Å; V233-F262 HydrophobicContact CG2-CZ 4.1Å
234G91.3Very high92.1Very high13 Ų1364.2 Ų64.213%0.13433%0.325CS..  trans71.3174.2-178.100000114G230 L231 K236 G237G230-G234 PolarHBondContact O-N 3.31Å; L231-G234 PolarHBondContact O-N 3.08Å; G234-K236 PolarHBondContact O-N 2.96Å; G234-G237 PolarHBondContact O-N 3.05Å
235P92.2Very high92.2Very high107 Ų10771.4 Ų71.470%0.69536%0.358SS*.G310 helixtrans-58.9126.3-177.524.1-33.8000111.1G237 S238P235-G237 PolarHBondContact O-N 3.08Å; P235-G237 VanDerWaalsContact O-N 3.11Å; P235-S238 WeakPolarHBondContact O-CB 3.46Å; P235-S238 PolarHBondContact O-N 2.87Å
236K89.8Confident92.3Very high206 Ų20673.4 Ų73.490%0.89636%0.362SS*.G310 helixtrans55.222.5-176.7-56-177.9179.4-179.70114.7G234 S238 K241G234-K236 PolarHBondContact O-N 2.96Å; K236-S238 VanDerWaalsContact C-N 3.31Å; K236-K241 PolarHBondContact O-NZ 3.5Å
237G91.6Very high92.5Very high10 Ų1067 Ų6710%0.10334%0.337CS..G310 helixtrans75.315.8-17400000114V233 G234 P235 T239 K241V233-G237 CarbonylContact O-C 3.52Å; V233-G237 WeakPolarHBondContact O-CA 3.44Å; G234-G237 PolarHBondContact O-N 3.05Å; P235-G237 PolarHBondContact O-N 3.08Å; P235-G237 VanDerWaalsContact O-N 3.11Å; G237-T239 VanDerWaalsContact C-N 3.27Å; G237-T239 PolarHBondContact O-N 3.13Å; G237-K241 VanDerWaalsContact O-CB 3.25Å; G237-K241 WeakPolarHBondContact O-CB 3.27Å; G237-K241 WeakPolarHBondContact O-CD 3.43Å; G237-K241 WeakPolarHBondContact O-CG 3.44Å; G237-K241 PolarHBondContact O-N 3.25Å
238S95.1Very high92.5Very high62 Ų6258 Ų5843%0.43431%0.31SS..Hα-helixtrans-67.4-21.8-173.1-173.50000114.4V233 P235 K236V233-S238 PolarHBondContact O-N 3.48Å; P235-S238 WeakPolarHBondContact O-CB 3.46Å; P235-S238 PolarHBondContact O-N 2.87Å; K236-S238 VanDerWaalsContact C-N 3.31Å
239T94.1Very high92.7Very high11 Ų1158.1 Ų58.17%0.06731%0.311CS..Hα-helixtrans-80.1-57.6175.2-62.90000109.1V232 V233 G237 K241 R242 I243 H281V232-T239 WeakPolarHBondContact O-CB 3.1Å; V232-T239 WeakPolarHBondContact O-CG2 3.17Å; V233-T239 WeakPolarHBondContact O-CB 3.48Å; V233-T239 PolarHBondContact O-N 2.99Å; V233-T239 VanDerWaalsContact O-N 3.08Å; G237-T239 VanDerWaalsContact C-N 3.27Å; G237-T239 PolarHBondContact O-N 3.13Å; T239-K241 PolarHBondContact O-N 3.08Å; T239-R242 WeakPolarHBondContact O-CA 3.15Å; T239-R242 WeakPolarHBondContact O-CB 3.28Å; T239-R242 PolarHBondContact O-N 3.22Å; T239-I243 HydrophobicContact CG2-CD1 4.13Å; T239-I243 PolarHBondContact O-N 3.02Å; T239-H281 WeakPolarHBondContact CG2-CE1 3.41Å; T239-H281 WeakPolarHBondContact CG2-NE2 3.33Å
240I94.1Very high92.8Very high6 Ų661.4 Ų61.43%0.03132%0.322CS..Hα-helixtrans-63.9-27.9-176.7-164.358.7000113.4V232 V233 I243 Q244 I251 F262 I278V232-I240 HydrophobicContact CG1-CD1 4.07Å; V232-I240 PolarHBondContact O-N 3.29Å; V232-I240 VanDerWaalsContact O-N 3.15Å; V233-I240 HydrophobicContact CB-CG2 4.44Å; V233-I240 HydrophobicContact CG1-CG2 4.26Å; V233-I240 PolarHBondContact O-N 3.34Å; I240-I243 HydrophobicContact CD1-CD1 4.2Å; I240-Q244 WeakPolarHBondContact O-CB 3.26Å; I240-Q244 VanDerWaalsContact O-CG 3.29Å; I240-Q244 WeakPolarHBondContact O-CG 3.46Å; I240-Q244 PolarHBondContact O-N 3.49Å; I240-Q244 VanDerWaalsContact O-N 3.11Å; I240-Q244 PolarHBondContact O-NE2 3.32Å; I240-I251 HydrophobicContact CD1-CB 4.22Å; I240-I251 HydrophobicContact CD1-CD1 3.88Å; I240-I251 HydrophobicContact CD1-CG2 3.93Å; I240-I251 HydrophobicContact CG1-CB 4.38Å; I240-I251 HydrophobicContact CG1-CG2 4.31Å; I240-F262 HydrophobicContact CD1-CE1 4.39Å; I240-F262 HydrophobicContact CG1-CE1 4.46Å; I240-I278 HydrophobicContact CD1-CD1 3.98Å; I240-I278 HydrophobicContact CD1-CG1 4.43Å
241K94.3Very high93Very high129 Ų12959.2 Ų59.256%0.56130%0.297SS*.Hα-helixtrans-70.5-32.6170.2-74.2169.4-177.8164.40113K236 G237 T239 Q245K236-K241 PolarHBondContact O-NZ 3.5Å; G237-K241 VanDerWaalsContact O-CB 3.25Å; G237-K241 WeakPolarHBondContact O-CB 3.27Å; G237-K241 WeakPolarHBondContact O-CD 3.43Å; G237-K241 WeakPolarHBondContact O-CG 3.44Å; G237-K241 PolarHBondContact O-N 3.25Å; T239-K241 PolarHBondContact O-N 3.08Å; K241-Q245 WeakPolarHBondContact O-CB 3.48Å; K241-Q245 PolarHBondContact O-N 3.43Å; K241-Q245 VanDerWaalsContact O-N 3.13Å
242R93.7Very high93.1Very high114 Ų11457.4 Ų57.443%0.4329%0.29SS..Hα-helixtrans-68.5-47.3174.4-168.8-164.9-64.4109.7-0110.3T239 Q245 Q246T239-R242 WeakPolarHBondContact O-CA 3.15Å; T239-R242 WeakPolarHBondContact O-CB 3.28Å; T239-R242 PolarHBondContact O-N 3.22Å; R242-Q245 CarbonylContact O-C 3.58Å; R242-Q245 PolarHBondContact O-N 3.42Å; R242-Q245 VanDerWaalsContact O-N 3.08Å; R242-Q246 HydrophobicContact CG-CG 4.31Å; R242-Q246 PolarHBondContact O-N 3.1Å
243I94.3Very high93Very high1 Ų160.1 Ų60.11%0.00531%0.306CS..Hα-helixtrans-53.3-59.5176.4-60175.8000109T239 I240 Q245 Q246 T247 I251 A274 E277 I278T239-I243 HydrophobicContact CG2-CD1 4.13Å; T239-I243 PolarHBondContact O-N 3.02Å; I240-I243 HydrophobicContact CD1-CD1 4.2Å; I243-Q245 PolarHBondContact O-N 3.34Å; I243-Q246 PolarHBondContact O-N 3.31Å; I243-T247 HydrophobicContact CG2-CG2 4.02Å; I243-T247 WeakPolarHBondContact O-CB 3.23Å; I243-T247 WeakPolarHBondContact O-CG2 3.49Å; I243-T247 PolarHBondContact O-N 2.87Å; I243-T247 PolarHBondContact O-OG1 2.84Å; I243-I251 HydrophobicContact CG2-CD1 3.97Å; I243-A274 HydrophobicContact CG2-CB 4.43Å; I243-E277 HydrophobicContact CD1-CG 4.49Å; I243-E277 HydrophobicContact CG1-CG 4.09Å; I243-E277 HydrophobicContact CG2-CB 4.23Å; I243-E277 HydrophobicContact CG2-CG 4.34Å; I243-I278 HydrophobicContact CD1-CG1 3.75Å; I243-I278 HydrophobicContact CG2-CG1 4.34Å
244Q94Very high92.7Very high39 Ų3959.5 Ų59.518%0.18230%0.303CS..Hα-helixtrans-49.1-36.9175.7-77.4172.895.700114.2I240 C248 T249 I251I240-Q244 WeakPolarHBondContact O-CB 3.26Å; I240-Q244 VanDerWaalsContact O-CG 3.29Å; I240-Q244 WeakPolarHBondContact O-CG 3.46Å; I240-Q244 PolarHBondContact O-N 3.49Å; I240-Q244 VanDerWaalsContact O-N 3.11Å; I240-Q244 PolarHBondContact O-NE2 3.32Å; Q244-C248 VanDerWaalsContact O-CA 3.24Å; Q244-C248 WeakPolarHBondContact O-CA 3.33Å; Q244-C248 PolarHBondContact O-N 3.37Å; Q244-T249 WeakPolarHBondContact CA-O 3.24Å; Q244-T249 VanDerWaalsContact CB-O 3.29Å; Q244-T249 WeakPolarHBondContact CB-O 3.29Å; Q244-T249 VanDerWaalsContact CG-O 3.3Å; Q244-T249 WeakPolarHBondContact CG-O 3.39Å; Q244-T249 PolarHBondContact O-N 2.9Å; Q244-I251 HydrophobicContact CG-CB 3.8Å; Q244-I251 HydrophobicContact CG-CD1 3.78Å; Q244-I251 HydrophobicContact CG-CG1 3.59Å
245Q93.6Very high92.4Very high157 Ų15761.2 Ų61.273%0.73431%0.313SS*.Hα-helixtrans-77.8-34.3178.4-173.6177.47.700113.5K241 R242 I243K241-Q245 WeakPolarHBondContact O-CB 3.48Å; K241-Q245 PolarHBondContact O-N 3.43Å; K241-Q245 VanDerWaalsContact O-N 3.13Å; R242-Q245 CarbonylContact O-C 3.58Å; R242-Q245 PolarHBondContact O-N 3.42Å; R242-Q245 VanDerWaalsContact O-N 3.08Å; I243-Q245 PolarHBondContact O-N 3.34Å
246Q92.2Very high91.8Very high109 Ų10967.1 Ų67.151%0.50932%0.321SS..Hα-helixtrans-80.5-28.1179-74.7-172.6-126.300113R242 I243R242-Q246 HydrophobicContact CG-CG 4.31Å; R242-Q246 PolarHBondContact O-N 3.1Å; I243-Q246 PolarHBondContact O-N 3.31Å
247T93.8Very high91.5Very high1 Ų164.4 Ų64.41%0.00632%0.316CS..Hα-helixtrans-94.5-20.5179.362.30000112.1I243 T249 N270 A274I243-T247 HydrophobicContact CG2-CG2 4.02Å; I243-T247 WeakPolarHBondContact O-CB 3.23Å; I243-T247 WeakPolarHBondContact O-CG2 3.49Å; I243-T247 PolarHBondContact O-N 2.87Å; I243-T247 PolarHBondContact O-OG1 2.84Å; T247-T249 VanDerWaalsContact C-N 3.35Å; T247-T249 PolarHBondContact OG1-N 3.07Å; T247-T249 PolarHBondContact OG1-OG1 3.08Å; T247-N270 WeakPolarHBondContact O-CB 3.43Å; T247-N270 PolarHBondContact O-ND2 3.15Å; T247-N270 VanDerWaalsContact O-ND2 3.09Å; T247-A274 VanDerWaalsContact CG2-CA 3.42Å; T247-A274 HydrophobicContact CG2-CB 3.53Å
248C89.1Confident91.1Very high52 Ų5270.9 Ų70.935%0.35134%0.338SS..THydrogen-bonded Turntrans55.148.4-167.3-59.40000112.1L202 Q244L202-C248 HydrophobicContact CD1-CB 4.43Å; L202-C248 HydrophobicContact CD2-CB 4.07Å; Q244-C248 VanDerWaalsContact O-CA 3.24Å; Q244-C248 WeakPolarHBondContact O-CA 3.33Å; Q244-C248 PolarHBondContact O-N 3.37Å
249T93.7Very high90.7Very high12 Ų1272.1 Ų72.17%0.07434%0.34CS..  trans-117.4158.8172.560.80000111.2Q244 T247 I264 T265 N270 A274Q244-T249 WeakPolarHBondContact CA-O 3.24Å; Q244-T249 VanDerWaalsContact CB-O 3.29Å; Q244-T249 WeakPolarHBondContact CB-O 3.29Å; Q244-T249 VanDerWaalsContact CG-O 3.3Å; Q244-T249 WeakPolarHBondContact CG-O 3.39Å; Q244-T249 PolarHBondContact O-N 2.9Å; T247-T249 VanDerWaalsContact C-N 3.35Å; T247-T249 PolarHBondContact OG1-N 3.07Å; T247-T249 PolarHBondContact OG1-OG1 3.08Å; T249-I264 HydrophobicContact CG2-CG2 4.04Å; T249-T265 WeakPolarHBondContact CA-O 3.48Å; T249-T265 WeakPolarHBondContact CB-O 3.22Å; T249-N270 VanDerWaalsContact CG2-C 3.5Å; T249-N270 HydrophobicContact CG2-CB 3.85Å; T249-N270 VanDerWaalsContact CG2-O 3.3Å; T249-N270 WeakPolarHBondContact CG2-O 3.5Å; T249-A274 HydrophobicContact CG2-CB 3.88Å; T249-A274 WeakPolarHBondContact OG1-CB 3.4Å
250Y93.6Very high90.6Very high93 Ų9372 Ų7237%0.36534%0.339SS..EExtended strand (participates in β ladder)trans-97.3132.3165.7180-108000108.4P211 V252 I264 T265P211-Y250 HydrophobicContact CG-CD1 4.3Å; Y250-V252 HydrophobicContact CD1-CG2 4.29Å; Y250-V252 HydrophobicContact CE1-CG2 3.73Å; Y250-I264 CarbonylContact O-C 3.57Å; Y250-I264 WeakPolarHBondContact O-CA 3.48Å; Y250-T265 PolarHBondContact N-O 3.34Å; Y250-T265 PolarHBondContact O-N 2.94Å
251I94.1Very high90.5Very high6 Ų673.5 Ų73.53%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-129.6111.2-177.1-53.8176.3000111.2I240 I243 Q244 T253 F262 E263 I264 A274 I278I240-I251 HydrophobicContact CD1-CB 4.22Å; I240-I251 HydrophobicContact CD1-CD1 3.88Å; I240-I251 HydrophobicContact CD1-CG2 3.93Å; I240-I251 HydrophobicContact CG1-CB 4.38Å; I240-I251 HydrophobicContact CG1-CG2 4.31Å; I243-I251 HydrophobicContact CG2-CD1 3.97Å; Q244-I251 HydrophobicContact CG-CB 3.8Å; Q244-I251 HydrophobicContact CG-CD1 3.78Å; Q244-I251 HydrophobicContact CG-CG1 3.59Å; I251-T253 PolarHBondContact O-N 3.36Å; I251-F262 HydrophobicContact CG2-CB 4.04Å; I251-F262 HydrophobicContact CG2-CD1 3.84Å; I251-F262 HydrophobicContact CG2-CG 4.37Å; I251-E263 CarbonylContact C-O 3.59Å; I251-E263 WeakPolarHBondContact CA-O 3.17Å; I251-I264 HydrophobicContact CD1-CD1 4.41Å; I251-I264 HydrophobicContact CD1-CG1 4.28Å; I251-I264 HydrophobicContact CD1-CG2 4.47Å; I251-I264 HydrophobicContact CG1-CB 4.36Å; I251-I264 HydrophobicContact CG1-CG1 4.04Å; I251-I264 HydrophobicContact CG1-CG2 4.1Å; I251-I264 HydrophobicContact CG2-CG1 4.08Å; I251-A274 HydrophobicContact CD1-CB 4.16Å; I251-I278 HydrophobicContact CD1-CD1 4.02Å
252V92.8Very high90.4Very high46 Ų4667.4 Ų67.428%0.27932%0.322SS..EExtended strand (participates in β ladder)trans-72120.1173.9-173.10000108.6Y250 E263Y250-V252 HydrophobicContact CD1-CG2 4.29Å; Y250-V252 HydrophobicContact CE1-CG2 3.73Å; V252-E263 HydrophobicContact CB-CB 4.07Å; V252-E263 HydrophobicContact CG2-CB 4.27Å; V252-E263 PolarHBondContact N-O 2.93Å; V252-E263 PolarHBondContact O-N 3.07Å
253T91Very high90.5Very high57 Ų5765.7 Ų65.735%0.3532%0.319SS..PPolyproline II helixtrans-82.7128.2172.1-60.60000109.4V233 I251 F262V233-T253 HydrophobicContact CG2-CG2 3.48Å; V233-T253 VanDerWaalsContact CG2-CG2 3.48Å; I251-T253 PolarHBondContact O-N 3.36Å; T253-F262 HydrophobicContact CG2-CE1 4.05Å
254P88.3Confident90.5Very high18 Ų1865.7 Ų65.712%0.11732%0.318CS..PPolyproline II helixtrans-64.6152.2178.424.7-32.7000112.3V229 D259 V261V229-P254 HydrophobicContact CG1-CG 4.4Å; P254-D259 WeakPolarHBondContact CB-O 3.13Å; P254-V261 WeakPolarHBondContact CB-O 3.34Å; P254-V261 WeakPolarHBondContact CD-O 3.41Å; P254-V261 WeakPolarHBondContact CG-O 3.38Å
255S85.6Confident90.4Very high50 Ų5064.4 Ų64.435%0.3531%0.314SS..PPolyproline II helixtrans-68.3155.9170.4-52.60000110.2D257 R258S255-D257 PolarHBondContact O-N 3.47Å; S255-R258 PolarHBondContact O-N 3.31Å; S255-R258 PolarHBondContact OG-NE 2.85Å; S255-R258 PolarHBondContact OG-NH2 3.26Å
256R80.1Confident90.3Very high230 Ų23057.1 Ų57.187%0.86828%0.28SS*.THydrogen-bonded Turntrans-60.5-29.6176.9-69.7-177.3176.6178.5-1.2113
257D83.1Confident90.3Very high149 Ų14954.1 Ų54.180%0.79727%0.272SS*.THydrogen-bonded Turntrans-102.115.6-169.9-29.6-87.8000111.8S255S255-D257 PolarHBondContact O-N 3.47Å
258R83.2Confident90.1Very high147 Ų14758.1 Ų58.156%0.55530%0.298SS*.SBendtrans-129.3164.5176.2-69-167-71.4158.10.1109.9Y226 S255Y226-R258 WeakPolarHBondContact CE1-O 3.34Å; Y226-R258 PolarHBondContact OH-O 2.7Å; S255-R258 PolarHBondContact O-N 3.31Å; S255-R258 PolarHBondContact OG-NE 2.85Å; S255-R258 PolarHBondContact OG-NH2 3.26Å
259D85.8Confident90.2Very high88 Ų8859.7 Ų59.747%0.47131%0.309SS..  trans-49.8141.6174.4-99.5-73.2000112.3R223 P254 V261R223-D259 IonicContact CZ-OD1 3.31Å; R223-D259 IonicContact NE-OD1 3.15Å; R223-D259 IonicContact NH2-OD1 3.66Å; R223-D259 PolarHBondContact NH2-OD1 3.49Å; P254-D259 WeakPolarHBondContact CB-O 3.13Å; D259-V261 HydrophobicContact CB-CG2 4.29Å; D259-V261 PolarHBondContact O-N 3.43Å
260P91.5Very high90.2Very high7 Ų760.6 Ų60.65%0.04531%0.313CS..  trans-84.157.9-171.937-37000111V224 Y226 V229V224-P260 PolarHBondContact N-O 3.5Å; V224-P260 WeakPolarHBondContact O-CB 3.34Å; V224-P260 WeakPolarHBondContact O-CG 3.42Å; Y226-P260 HydrophobicContact CD1-CB 3.96Å; Y226-P260 HydrophobicContact CD1-CG 4.27Å; Y226-P260 HydrophobicContact CD2-CG 3.99Å; Y226-P260 HydrophobicContact CE1-CB 4.08Å; Y226-P260 HydrophobicContact CE1-CG 4.21Å; Y226-P260 HydrophobicContact CE2-CG 3.92Å; Y226-P260 HydrophobicContact CG-CB 4.2Å; Y226-P260 HydrophobicContact CG-CG 4.17Å; V229-P260 HydrophobicContact CG2-CB 3.73Å
261V91.8Very high90.2Very high39 Ų3956.2 Ų56.224%0.23630%0.296CS..EExtended strand (participates in β ladder)trans-105.5121.9179.4178.80000109.2Q221 V222 R223 P254 D259Q221-V261 HydrophobicContact CB-CG1 3.74Å; Q221-V261 HydrophobicContact CG-CG1 4.12Å; V222-V261 WeakPolarHBondContact O-CA 3.48Å; R223-V261 HydrophobicContact CB-CG2 4.08Å; R223-V261 HydrophobicContact CG-CG2 3.95Å; P254-V261 WeakPolarHBondContact CB-O 3.34Å; P254-V261 WeakPolarHBondContact CD-O 3.41Å; P254-V261 WeakPolarHBondContact CG-O 3.38Å; D259-V261 HydrophobicContact CB-CG2 4.29Å; D259-V261 PolarHBondContact O-N 3.43Å
262F93.8Very high90.2Very high0 Ų060.1 Ų60.10%031%0.314CS..EExtended strand (participates in β ladder)trans-84.4129.3166.4-71.4-86.2000109.4Q221 V222 V224 V229 V232 V233 I240 I251 T253Q221-F262 WeakPolarHBondContact CA-O 3.34Å; V222-F262 HydrophobicContact CB-CB 4.49Å; V222-F262 PolarHBondContact N-O 3.28Å; V222-F262 PolarHBondContact O-N 2.93Å; V224-F262 HydrophobicContact CG1-CD2 4.28Å; V224-F262 HydrophobicContact CG2-CD2 4.14Å; V224-F262 HydrophobicContact CG2-CE2 3.75Å; V229-F262 HydrophobicContact CG1-CE2 4.32Å; V229-F262 HydrophobicContact CG1-CZ 3.95Å; V232-F262 HydrophobicContact CB-CE2 4.18Å; V232-F262 HydrophobicContact CB-CZ 3.98Å; V232-F262 HydrophobicContact CG1-CE1 4.18Å; V232-F262 HydrophobicContact CG1-CE2 3.84Å; V232-F262 HydrophobicContact CG1-CZ 3.6Å; V233-F262 HydrophobicContact CG2-CE1 4.15Å; V233-F262 HydrophobicContact CG2-CZ 4.1Å; I240-F262 HydrophobicContact CD1-CE1 4.39Å; I240-F262 HydrophobicContact CG1-CE1 4.46Å; I251-F262 HydrophobicContact CG2-CB 4.04Å; I251-F262 HydrophobicContact CG2-CD1 3.84Å; I251-F262 HydrophobicContact CG2-CG 4.37Å; T253-F262 HydrophobicContact CG2-CE1 4.05Å
263E94.3Very high90.4Very high79 Ų7963.3 Ų63.337%0.36932%0.321SS..EExtended strand (participates in β ladder)trans-100.3120.3173.4-168.2-172.5152.200109I251 V252I251-E263 CarbonylContact C-O 3.59Å; I251-E263 WeakPolarHBondContact CA-O 3.17Å; V252-E263 HydrophobicContact CB-CB 4.07Å; V252-E263 HydrophobicContact CG2-CB 4.27Å; V252-E263 PolarHBondContact N-O 2.93Å; V252-E263 PolarHBondContact O-N 3.07Å
264I94.9Very high90.6Very high0 Ų060.6 Ų60.60%031%0.305CS..EExtended strand (participates in β ladder)trans-111.1109.9-172.9-54.7-176000109T219 I220 V222 T249 Y250 I251 A271 A274 R275 I278T219-I264 CarbonylContact C-O 3.6Å; T219-I264 VanDerWaalsContact CA-O 3.31Å; T219-I264 WeakPolarHBondContact CA-O 3.22Å; I220-I264 HydrophobicContact CB-CB 4.44Å; I220-I264 PolarHBondContact N-O 3.4Å; I220-I264 WeakPolarHBondContact O-CB 3.45Å; I220-I264 PolarHBondContact O-N 2.79Å; V222-I264 HydrophobicContact CG2-CD1 3.53Å; V222-I264 HydrophobicContact CG2-CG1 4.31Å; T249-I264 HydrophobicContact CG2-CG2 4.04Å; Y250-I264 CarbonylContact O-C 3.57Å; Y250-I264 WeakPolarHBondContact O-CA 3.48Å; I251-I264 HydrophobicContact CD1-CD1 4.41Å; I251-I264 HydrophobicContact CD1-CG1 4.28Å; I251-I264 HydrophobicContact CD1-CG2 4.47Å; I251-I264 HydrophobicContact CG1-CB 4.36Å; I251-I264 HydrophobicContact CG1-CG1 4.04Å; I251-I264 HydrophobicContact CG1-CG2 4.1Å; I251-I264 HydrophobicContact CG2-CG1 4.08Å; I264-A271 HydrophobicContact CG2-CB 4.16Å; I264-A274 HydrophobicContact CD1-CB 4.18Å; I264-A274 HydrophobicContact CG2-CB 3.85Å; I264-R275 HydrophobicContact CD1-CB 4.12Å; I264-I278 HydrophobicContact CD1-CD1 3.99Å
265T92.8Very high90.9Very high13 Ų1363.9 Ų63.98%0.0832%0.315CS..EExtended strand (participates in β ladder)trans-99.1129.8175.3-36.50000110.5Q217 T218 T219 T249 Y250Q217-T265 HydrophobicContact CB-CG2 4.33Å; T218-T265 WeakPolarHBondContact O-CA 3.25Å; T219-T265 HydrophobicContact CG2-CG2 3.94Å; T249-T265 WeakPolarHBondContact CA-O 3.48Å; T249-T265 WeakPolarHBondContact CB-O 3.22Å; Y250-T265 PolarHBondContact N-O 3.34Å; Y250-T265 PolarHBondContact O-N 2.94Å
266G91.9Very high91.4Very high3 Ų367.7 Ų67.73%0.03133%0.327CS..EExtended strand (participates in β ladder)trans177.3-172.3176.700000113.6Q217 T218Q217-G266 CarbonylContact C-O 3.14Å; Q217-G266 VanDerWaalsContact CA-O 3.29Å; Q217-G266 WeakPolarHBondContact CA-O 3.34Å; T218-G266 PolarHBondContact N-O 3.26Å; T218-G266 PolarHBondContact O-N 3.49Å; T218-G266 VanDerWaalsContact O-N 3.1Å
267S90.5Very high92Very high47 Ų4759 Ų5933%0.32930%0.296SS..  trans-68.3152.1166.263.40000109.9S269 N270 A271S267-S269 PolarHBondContact O-N 3.07Å; S267-N270 PolarHBondContact O-N 3.11Å; S267-N270 WeakPolarHBondContact OG-CB 3.47Å; S267-N270 VanDerWaalsContact OG-CG 3.32Å; S267-N270 PolarHBondContact OG-ND2 3.41Å; S267-A271 WeakPolarHBondContact O-CB 3.48Å; S267-A271 PolarHBondContact O-N 2.93Å
268P90.6Very high92.6Very high85 Ų8551.9 Ų51.955%0.55226%0.258SS*.Hα-helixtrans-57-45.1-171.218.2-31.3000114.1T218 N270 A271 E272T218-P268 HydrophobicContact CG2-CB 4.18Å; P268-N270 VanDerWaalsContact C-N 3.31Å; P268-N270 PolarHBondContact O-N 2.96Å; P268-A271 PolarHBondContact O-N 3.4Å; P268-E272 PolarHBondContact O-N 3.41Å
269S91.3Very high93Very high84 Ų8448.9 Ų48.959%0.58725%0.25SS*.Hα-helixtrans-62.5-35.6176.1-179.50000113.2S267 R273S267-S269 PolarHBondContact O-N 3.07Å; S269-R273 WeakPolarHBondContact O-CB 3.19Å; S269-R273 WeakPolarHBondContact O-CD 3.3Å; S269-R273 VanDerWaalsContact O-CG 3.25Å; S269-R273 WeakPolarHBondContact O-CG 3.44Å; S269-R273 PolarHBondContact O-N 3.36Å
270N94Very high93.3Very high32 Ų3247.3 Ų47.317%0.17125%0.25CC..Hα-helixtrans-76.5-37.1178.5-76.1-0.6000112.3T247 T249 S267 P268 A274T247-N270 WeakPolarHBondContact O-CB 3.43Å; T247-N270 PolarHBondContact O-ND2 3.15Å; T247-N270 VanDerWaalsContact O-ND2 3.09Å; T249-N270 VanDerWaalsContact CG2-C 3.5Å; T249-N270 HydrophobicContact CG2-CB 3.85Å; T249-N270 VanDerWaalsContact CG2-O 3.3Å; T249-N270 WeakPolarHBondContact CG2-O 3.5Å; S267-N270 PolarHBondContact O-N 3.11Å; S267-N270 WeakPolarHBondContact OG-CB 3.47Å; S267-N270 VanDerWaalsContact OG-CG 3.32Å; S267-N270 PolarHBondContact OG-ND2 3.41Å; P268-N270 VanDerWaalsContact C-N 3.31Å; P268-N270 PolarHBondContact O-N 2.96Å; N270-A274 WeakPolarHBondContact O-CB 3.19Å; N270-A274 PolarHBondContact O-N 3.38Å
271A93.8Very high93.2Very high0 Ų048.2 Ų48.20%025%0.253CS..Hα-helixtrans-65.8-44.2178.400000111.5T218 I220 I264 S267 P268 A274 R275T218-A271 HydrophobicContact CG2-CB 3.8Å; I220-A271 HydrophobicContact CD1-CB 3.56Å; I220-A271 HydrophobicContact CG1-CB 3.93Å; I264-A271 HydrophobicContact CG2-CB 4.16Å; S267-A271 WeakPolarHBondContact O-CB 3.48Å; S267-A271 PolarHBondContact O-N 2.93Å; P268-A271 PolarHBondContact O-N 3.4Å; A271-A274 PolarHBondContact O-N 3.22Å; A271-R275 PolarHBondContact O-N 3.35Å
272E94.3Very high93.1Very high88 Ų8847.8 Ų47.841%0.41125%0.249SC..Hα-helixtrans-65.6-43.3176.7-158.264.6-129.900111.3I220 P268 A274 R275 E276I220-E272 WeakPolarHBondContact CD1-OE2 3.44Å; P268-E272 PolarHBondContact O-N 3.41Å; E272-A274 VanDerWaalsContact C-N 3.28Å; E272-A274 PolarHBondContact O-N 2.95Å; E272-R275 WeakPolarHBondContact O-CB 3.36Å; E272-R275 PolarHBondContact O-N 3.05Å; E272-R275 VanDerWaalsContact O-N 3.15Å; E272-R275 WeakPolarHBondContact OE1-CD 3.18Å; E272-R275 IonicContact OE1-CZ 2.78Å; E272-R275 IonicContact OE1-NE 3.93Å; E272-R275 IonicContact OE1-NH1 2.71Å; E272-R275 PolarHBondContact OE1-NH1 3.33Å; E272-E276 PolarHBondContact O-N 3.11Å
273R95.3Very high92.8Very high114 Ų11450.7 Ų50.743%0.4327%0.274SS..Hα-helixtrans-60.3-34.6173.6-74.9174.861-124.3-10.7113.2S269 E277S269-R273 WeakPolarHBondContact O-CB 3.19Å; S269-R273 WeakPolarHBondContact O-CD 3.3Å; S269-R273 VanDerWaalsContact O-CG 3.25Å; S269-R273 WeakPolarHBondContact O-CG 3.44Å; S269-R273 PolarHBondContact O-N 3.36Å; R273-E277 WeakPolarHBondContact O-CB 3.41Å; R273-E277 PolarHBondContact O-N 2.87Å
274A95.9Very high92.3Very high0 Ų055.7 Ų55.70%029%0.294CS..Hα-helixtrans-72.4-34.5176.100000112.9I243 T247 T249 I251 I264 N270 A271 E272 I278I243-A274 HydrophobicContact CG2-CB 4.43Å; T247-A274 VanDerWaalsContact CG2-CA 3.42Å; T247-A274 HydrophobicContact CG2-CB 3.53Å; T249-A274 HydrophobicContact CG2-CB 3.88Å; T249-A274 WeakPolarHBondContact OG1-CB 3.4Å; I251-A274 HydrophobicContact CD1-CB 4.16Å; I264-A274 HydrophobicContact CD1-CB 4.18Å; I264-A274 HydrophobicContact CG2-CB 3.85Å; N270-A274 WeakPolarHBondContact O-CB 3.19Å; N270-A274 PolarHBondContact O-N 3.38Å; A271-A274 PolarHBondContact O-N 3.22Å; E272-A274 VanDerWaalsContact C-N 3.28Å; E272-A274 PolarHBondContact O-N 2.95Å; A274-I278 WeakPolarHBondContact O-CG1 3.41Å; A274-I278 PolarHBondContact O-N 2.9Å; A274-I278 VanDerWaalsContact O-N 3.15Å
275R95.3Very high91.5Very high86 Ų8662.9 Ų62.933%0.32532%0.321SS..Hα-helixtrans-64.3-50.9170.3166.1174174.8-127.1-10.7110.8I220 V222 I264 A271 E272 E277 I278 E279I220-R275 HydrophobicContact CG2-CB 4.44Å; V222-R275 HydrophobicContact CG1-CG 4.46Å; V222-R275 HydrophobicContact CG2-CB 3.7Å; V222-R275 HydrophobicContact CG2-CG 3.6Å; I264-R275 HydrophobicContact CD1-CB 4.12Å; A271-R275 PolarHBondContact O-N 3.35Å; E272-R275 WeakPolarHBondContact O-CB 3.36Å; E272-R275 PolarHBondContact O-N 3.05Å; E272-R275 VanDerWaalsContact O-N 3.15Å; E272-R275 WeakPolarHBondContact OE1-CD 3.18Å; E272-R275 IonicContact OE1-CZ 2.78Å; E272-R275 IonicContact OE1-NE 3.93Å; E272-R275 IonicContact OE1-NH1 2.71Å; E272-R275 PolarHBondContact OE1-NH1 3.33Å; R275-E277 VanDerWaalsContact C-N 3.34Å; R275-E277 PolarHBondContact O-N 3.29Å; R275-I278 PolarHBondContact O-N 3.05Å; R275-I278 VanDerWaalsContact O-N 3.11Å; R275-E279 HydrophobicContact CG-CG 4.45Å; R275-E279 WeakPolarHBondContact CG-OE1 3.38Å; R275-E279 IonicContact CZ-OE1 2.76Å; R275-E279 IonicContact NE-OE1 3.7Å; R275-E279 PolarHBondContact NE-OE1 3.22Å; R275-E279 IonicContact NH2-OE1 3.21Å; R275-E279 PolarHBondContact NH2-OE1 2.91Å; R275-E279 VanDerWaalsContact NH2-OE1 3.15Å; R275-E279 IonicContact NH2-OE2 3.65Å; R275-E279 WeakPolarHBondContact O-CG 3.49Å; R275-E279 PolarHBondContact O-N 3.09Å
276E94.5Very high90.8Very high130 Ų13065.3 Ų65.361%0.60734%0.336SS*.Hα-helixtrans-56.9-45.1176.6-173.9-175.2-16500111.4E272 I278 E279 A280E272-E276 PolarHBondContact O-N 3.11Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 2.79Å; E276-E279 PolarHBondContact O-N 3Å; E276-A280 WeakPolarHBondContact O-CB 3.47Å; E276-A280 PolarHBondContact O-N 3.24Å
277E94.3Very high89.5Confident48 Ų4868.2 Ų68.222%0.22437%0.366CS..Hα-helixtrans-62.5-37.2177.1-167.8177.8167.900112I243 R273 R275 H281I243-E277 HydrophobicContact CD1-CG 4.49Å; I243-E277 HydrophobicContact CG1-CG 4.09Å; I243-E277 HydrophobicContact CG2-CB 4.23Å; I243-E277 HydrophobicContact CG2-CG 4.34Å; R273-E277 WeakPolarHBondContact O-CB 3.41Å; R273-E277 PolarHBondContact O-N 2.87Å; R275-E277 VanDerWaalsContact C-N 3.34Å; R275-E277 PolarHBondContact O-N 3.29Å; E277-H281 WeakPolarHBondContact O-CB 3.32Å; E277-H281 PolarHBondContact O-N 3.4Å
278I94.4Very high87.8Confident0 Ų069.5 Ų69.50%039%0.387CS..Hα-helixtrans-67.4-49174.7-73.1170.2000111.5V222 V224 V232 I240 I243 I251 I264 A274 R275 E276 H281 I282V222-I278 HydrophobicContact CG1-CG2 4.13Å; V224-I278 HydrophobicContact CG1-CG2 4.22Å; V232-I278 HydrophobicContact CG1-CD1 4.41Å; V232-I278 HydrophobicContact CG1-CG1 4.05Å; V232-I278 HydrophobicContact CG1-CG2 4.01Å; V232-I278 HydrophobicContact CG2-CG2 4.23Å; I240-I278 HydrophobicContact CD1-CD1 3.98Å; I240-I278 HydrophobicContact CD1-CG1 4.43Å; I243-I278 HydrophobicContact CD1-CG1 3.75Å; I243-I278 HydrophobicContact CG2-CG1 4.34Å; I251-I278 HydrophobicContact CD1-CD1 4.02Å; I264-I278 HydrophobicContact CD1-CD1 3.99Å; A274-I278 WeakPolarHBondContact O-CG1 3.41Å; A274-I278 PolarHBondContact O-N 2.9Å; A274-I278 VanDerWaalsContact O-N 3.15Å; R275-I278 PolarHBondContact O-N 3.05Å; R275-I278 VanDerWaalsContact O-N 3.11Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 2.79Å; I278-H281 PolarHBondContact O-N 2.91Å; I278-I282 HydrophobicContact CG2-CD1 4.03Å; I278-I282 WeakPolarHBondContact O-CG1 3.47Å; I278-I282 PolarHBondContact O-N 3.06Å
279E92.6Very high85.8Confident83 Ų8372.3 Ų72.339%0.38840%0.397SS..Hα-helixtrans-62.5-44.4-179.7-70.2179.3-167.500110.9V222 R275 E276 H281 I282 A283V222-E279 HydrophobicContact CG1-CG 4.29Å; R275-E279 HydrophobicContact CG-CG 4.45Å; R275-E279 WeakPolarHBondContact CG-OE1 3.38Å; R275-E279 IonicContact CZ-OE1 2.76Å; R275-E279 IonicContact NE-OE1 3.7Å; R275-E279 PolarHBondContact NE-OE1 3.22Å; R275-E279 IonicContact NH2-OE1 3.21Å; R275-E279 PolarHBondContact NH2-OE1 2.91Å; R275-E279 VanDerWaalsContact NH2-OE1 3.15Å; R275-E279 IonicContact NH2-OE2 3.65Å; R275-E279 WeakPolarHBondContact O-CG 3.49Å; R275-E279 PolarHBondContact O-N 3.09Å; E276-E279 PolarHBondContact O-N 3Å; E279-H281 PolarHBondContact O-N 3.22Å; E279-I282 PolarHBondContact O-N 3.32Å; E279-A283 PolarHBondContact O-N 2.83Å
280A91.1Very high83.6Confident55 Ų5575.4 Ų75.446%0.45540%0.401SS..Hα-helixtrans-64.4-38.5174.400000112.8E276 I282 A283 F284E276-A280 WeakPolarHBondContact O-CB 3.47Å; E276-A280 PolarHBondContact O-N 3.24Å; A280-I282 VanDerWaalsContact C-N 3.27Å; A280-I282 PolarHBondContact O-N 3.42Å; A280-A283 PolarHBondContact O-N 3.08Å; A280-F284 VanDerWaalsContact O-CB 3.3Å; A280-F284 WeakPolarHBondContact O-CB 3.17Å; A280-F284 PolarHBondContact O-N 3.35Å
281H90.3Very high81.3Confident27 Ų2779 Ų7913%0.12542%0.421CS..Hα-helixtrans-64.3-33.2176.4-157.699.5000112.4T239 E277 I278 E279 R285T239-H281 WeakPolarHBondContact CG2-CE1 3.41Å; T239-H281 WeakPolarHBondContact CG2-NE2 3.33Å; E277-H281 WeakPolarHBondContact O-CB 3.32Å; E277-H281 PolarHBondContact O-N 3.4Å; I278-H281 PolarHBondContact O-N 2.91Å; E279-H281 PolarHBondContact O-N 3.22Å; H281-R285 PolarHBondContact CD2-NE 3.46Å; H281-R285 PolarHBondContact NE2-NE 3.44Å; H281-R285 WeakPolarHBondContact O-CB 3.29Å; H281-R285 WeakPolarHBondContact O-CG 3.3Å; H281-R285 PolarHBondContact O-N 3.48Å
282I90.6Very high79.2Confident29 Ų2987.9 Ų87.915%0.14946%0.462CS..Hα-helixtrans-71.1-52.4173-66.9161.8000109.8V224 V228 V232 I278 E279 A280 F284 R285 T286V224-I282 HydrophobicContact CB-CD1 3.76Å; V224-I282 HydrophobicContact CG1-CD1 3.49Å; V224-I282 VanDerWaalsContact CG1-CD1 3.49Å; V224-I282 HydrophobicContact CG2-CD1 4.5Å; V228-I282 HydrophobicContact CB-CG1 4.27Å; V228-I282 HydrophobicContact CB-CG2 4.36Å; V228-I282 HydrophobicContact CG1-CG2 4.27Å; V228-I282 HydrophobicContact CG2-CD1 3.87Å; V228-I282 HydrophobicContact CG2-CG1 3.88Å; V228-I282 HydrophobicContact CG2-CG2 4.02Å; V232-I282 HydrophobicContact CG2-CD1 3.84Å; V232-I282 HydrophobicContact CG2-CG1 3.59Å; I278-I282 HydrophobicContact CG2-CD1 4.03Å; I278-I282 WeakPolarHBondContact O-CG1 3.47Å; I278-I282 PolarHBondContact O-N 3.06Å; E279-I282 PolarHBondContact O-N 3.32Å; A280-I282 VanDerWaalsContact C-N 3.27Å; A280-I282 PolarHBondContact O-N 3.42Å; I282-F284 PolarHBondContact O-N 3.44Å; I282-R285 PolarHBondContact O-N 3.36Å; I282-T286 WeakPolarHBondContact O-CB 3.43Å; I282-T286 PolarHBondContact O-N 2.83Å; I282-T286 PolarHBondContact O-OG1 3.27Å
283A86.9Confident76.6Confident62 Ų6290.2 Ų90.251%0.51248%0.477SS..Hα-helixtrans-56.8-50.5-177.600000112.2E279 A280 R285 T286 G287E279-A283 PolarHBondContact O-N 2.83Å; A280-A283 PolarHBondContact O-N 3.08Å; A283-R285 VanDerWaalsContact C-N 3.31Å; A283-R285 PolarHBondContact O-N 3.14Å; A283-T286 PolarHBondContact O-N 2.8Å; A283-G287 PolarHBondContact O-N 3.38Å
284F82.4Confident74.2Confident184 Ų18492.2 Ų92.281%0.80750%0.496SS*.Hα-helixtrans-61.9-33.5-179.1-176.7-93.3000113.4A280 I282A280-F284 VanDerWaalsContact O-CB 3.3Å; A280-F284 WeakPolarHBondContact O-CB 3.17Å; A280-F284 PolarHBondContact O-N 3.35Å; I282-F284 PolarHBondContact O-N 3.44Å
285R78.7Confident72Confident150 Ų150100.4 Ų100.457%0.56654%0.535SS*.Hα-helixtrans-94.1-23.3-177.9-67.5-174-179.5-98.5-6114.6H281 I282 A283H281-R285 PolarHBondContact CD2-NE 3.46Å; H281-R285 PolarHBondContact NE2-NE 3.44Å; H281-R285 WeakPolarHBondContact O-CB 3.29Å; H281-R285 WeakPolarHBondContact O-CG 3.3Å; H281-R285 PolarHBondContact O-N 3.48Å; I282-R285 PolarHBondContact O-N 3.36Å; A283-R285 VanDerWaalsContact C-N 3.31Å; A283-R285 PolarHBondContact O-N 3.14Å
286T79.5Confident69.8Low64 Ų64103 Ų10339%0.39356%0.555SS.*Hα-helixtrans-92.3-20.6-178.3-45.40000111.6I282 A283I282-T286 WeakPolarHBondContact O-CB 3.43Å; I282-T286 PolarHBondContact O-N 2.83Å; I282-T286 PolarHBondContact O-OG1 3.27Å; A283-T286 PolarHBondContact O-N 2.8Å
287G62.8Low67.5Low64 Ų64104.5 Ų104.566%0.6657%0.567SS**THydrogen-bonded Turntrans72.341.5168.300000114.4A283 L289A283-G287 PolarHBondContact O-N 3.38Å; G287-L289 PolarHBondContact O-N 3.33Å
288G56Low64.7Low74 Ų74108.3 Ų108.376%0.76360%0.598SS**SBendtrans72.418.9166.500000117H290G288-H290 PolarHBondContact O-N 3.25Å
289L47.6Very low62.4Low145 Ų145117.2 Ų117.276%0.75964%0.644SS**  trans-97.281.8179.8-162.869.3000113.5G287G287-L289 PolarHBondContact O-N 3.33Å
290H46.4Very low59.5Low148 Ų148116.7 Ų116.769%0.68566%0.662SS**  trans-119.4137.7144.4-105.532.6000105.4G288G288-H290 PolarHBondContact O-N 3.25Å
291D44Very low57.5Low107 Ų107119.9 Ų119.957%0.57268%0.677SS**  cis-139171.612.4-110.1-61.5000112.5
292H50.8Low55.1Low188 Ų188126.8 Ų126.887%0.8772%0.715SS**  trans160.684.1137.4-82-48.8000110.9
293N39.9Very low52.4Low136 Ų136129.3 Ų129.373%0.72775%0.749SS**  trans-157.166.2152-165106.3000110.1
294N44.2Very low49.9Very low156 Ų156129.6 Ų129.683%0.83476%0.757SS**  trans-131.351.6167-165.880.6000110.3N296N294-N296 PolarHBondContact O-N 2.9Å
295E49.5Very low47.6Very low172 Ų172126.8 Ų126.880%0.80476%0.761SS**  trans-92.275.8167.554.7-173.5101.200109.6
296N49Very low45.6Very low142 Ų142125.1 Ų125.176%0.75977%0.772SS**  trans-139.748.1170.9-159.8102.3000111.2N294N294-N296 PolarHBondContact O-N 2.9Å
297D46.9Very low44.4Very low160 Ų160127.7 Ų127.786%0.85679%0.79SS**  trans-156.2166.8161.7-106.8-43.6000109.6
298C35.1Very low42.9Very low128 Ų128129.7 Ų129.787%0.86580%0.8SS**  trans72.998.5-179.7-58.40000116.9
299L46.4Very low41.6Very low187 Ų187129.9 Ų129.998%0.97980%0.802SS**  trans-74.8144.3165.5-61.9164.2000111.6
300G32.5Very low40.9Very low73 Ų73128.4 Ų128.475%0.75380%0.804SS**  trans13411115300000117.4
301P48.7Very low40.3Very low121 Ų121128.1 Ų128.179%0.78681%0.812SS**  trans-103.2108.9166.533.9-25.3000111.8
302N39Very low39.7Very low173 Ų173126.6 Ų126.693%0.92582%0.822SS**  trans-176.3128.8153.2-108-58.1000113.5
303G33.3Very low38.7Very low82 Ų82121.3 Ų121.385%0.84582%0.818SS**  trans70.4152.3168.200000116.5
304G34Very low38.4Very low67 Ų67123 Ų12369%0.69183%0.827SS**  cis166144.1-8.300000112.1
305S34.9Very low37.9Very low126 Ų126124.5 Ų124.588%0.88183%0.828SS**  trans54.7115.9166.745.60000120
306S36.4Very low37.3Very low114 Ų114122.1 Ų122.180%0.79783%0.831SS**  trans-68175.4146.9-42.30000110.4
307P54.1Low36.9Very low119 Ų119126.8 Ų126.877%0.77384%0.838SS**  cis-147.5-174.818.244.7-24.6000118.5
308A32.4Very low36.3Very low105 Ų105127.5 Ų127.587%0.86884%0.841SS**  trans72.8127.7149.600000120.7
309G28.2Very low36.3Very low79 Ų79129.7 Ų129.781%0.81484%0.838SS**  trans166.3114.8168.200000114.2
310S33.3Very low35.8Very low113 Ų113129.8 Ų129.879%0.7983%0.834SS**  trans-58.6158.2170.2-48.90000112.7
311T34.3Very low35.9Very low142 Ų142131.7 Ų131.787%0.87183%0.83SS**  cis-169.4168.1-4.916.40000107.1
312G30.5Very low35.1Very low76 Ų76137.3 Ų137.378%0.78484%0.836SS**  cis146.5134.1000000112
313G29.6Very low34.7Very low76 Ų76132 Ų13278%0.78482%0.823SS**  trans112148.5-171.900000112
314L33.1Very low34.9Very low172 Ų172135.4 Ų135.490%0.90182%0.821SS**  cis-149.191.98.354.2128.2000113
315E34.6Very low34.8Very low187 Ų187140.9 Ų140.987%0.87483%0.828SS**  trans-123.188.3174.7-112.5-10480.300109.8
316S36.4Very low34.8Very low122 Ų122138.6 Ų138.685%0.85383%0.825SS**  trans-170.964.8171.9-85.60000113.3
317R40.3Very low34.3Very low241 Ų241136.5 Ų136.591%0.90982%0.821SS**SBendtrans-157.155.7157.8-138.6174.3-174.5-106.5-4.6118.4
318L34.4Very low33.3Very low175 Ų175140.3 Ų140.392%0.91683%0.828SS**SBendtrans-156.941.4153.8-114.8163.6000115.5
319Q36.3Very low33.2Very low173 Ų173146.1 Ų146.181%0.80883%0.828SS**  trans-136.367.3171.5-164.373.380.200112.7
320Q36.2Very low33.5Very low189 Ų189152.1 Ų152.188%0.88383%0.831SS**  trans-139.7153.8158.3-78.1-161-21.900109.6
321V33.8Very low34.5Very low113 Ų113151.9 Ų151.969%0.68583%0.827SS**SBendtrans66.897.1-162.1-176.30000112.2
322W32.6Very low34.3Very low240 Ų240152.8 Ų152.891%0.90983%0.826SS**  cis-144.3164.6-15.4-69-56.1000105.9
323G30.2Very low34.1Very low62 Ų62155.2 Ų155.264%0.63983%0.826SS**  cis14589.5-1.200000112.1
324L36.3Very low34.1Very low153 Ų153156.2 Ų156.280%0.80182%0.821SS**  trans66.7157168.6-90.467.3000116.9
325Q33.8Very low34.1Very low181 Ų181153.1 Ų153.185%0.84681%0.813SS**  cis-148.9166.8-18.1-145.7164.214.800109.6
326G32.9Very low33.7Very low79 Ų79154.2 Ų154.281%0.81481%0.811SS**  trans-86.2165.9-170.900000116.8
327G27.8Very low33.5Very low69 Ų69157.5 Ų157.571%0.71181%0.805SS**  trans-159.6138.7172.600000112.5
328Q32.7Very low32.9Very low199 Ų199155 Ų15593%0.9380%0.803SS**  trans-59.1142.1-178-78.2-86-5.500113
329R29.5Very low32.8Very low228 Ų228152.4 Ų152.486%0.8679%0.79SS**  trans-146.8116.9173.2-54.5-170.690.9-176.39.1113.8
330K33.8Very low32.4Very low204 Ų204154.1 Ų154.189%0.88780%0.795SS**  trans-159.7155140.9-71.7-159.9-176175.20108.1
331P54.4Low32.2Very low108 Ų108150 Ų15070%0.70179%0.788SS**  cis-135.7169-41.134.8-18.3000113
332L30.2Very low32.1Very low162 Ų162152.5 Ų152.585%0.84880%0.797SS**  trans148.6158.4132.3-79.7172.5000115
333T27.8Very low32.1Very low127 Ų127144.3 Ų144.378%0.77978%0.781SS**  trans62.8103.4152.4-1680000122.1
334S28.4Very low32.2Very low97 Ų97149.8 Ų149.868%0.67879%0.792SS**  70120129.5-153.60000122.6
335S34.1Very low32.1Very low107 Ų107149.9 Ų149.975%0.74880%0.798SS**  trans43108131.1-40.10000121.3
336Y26.3Very low31.7Very low210 Ų210145 Ų14582%0.82480%0.797SS**  -157.2174.7117.8-160.1-112.4000111.5
337R32.2Very low31.6Very low191 Ų191145.5 Ų145.572%0.72180%0.802SS**  trans-64.8161170.6-65.1176.8166-135.40.5111.8
338Q28.1Very low31.6Very low188 Ų188145.9 Ų145.988%0.87981%0.806SS**  trans-106.7151.9146.5-83.7-67.55.600110.4
339N31.7Very low31.8Very low121 Ų121142.7 Ų142.765%0.64781%0.806SS**  trans-130.2138.1-177-168.354.6000109.3S341N339-S341 PolarHBondContact ND2-OG 3.37Å
340F27.1Very low31.9Very low208 Ų208135.9 Ų135.991%0.91281%0.806SS**  trans-76.2132168.7-91.7-89.5000109.5
341S32.4Very low31.7Very low103 Ų103130 Ų13072%0.7280%0.803SS**  trans-160.8112.7163.9-710000110.9N339N339-S341 PolarHBondContact ND2-OG 3.37Å
342D31.8Very low30.5Very low165 Ų165128.8 Ų128.888%0.88281%0.811SS**  trans-130.8146.3143.4-116.8-45.1000105.2
343A32.1Very low30.5Very low68 Ų68125.1 Ų125.156%0.56281%0.812SS**  cis-148.5-177.813.800000113.3
344M32Very low30.5Very low177 Ų177123.3 Ų123.387%0.87282%0.819SS**  trans82.762.3158.8-45.3-159.9-173.900118.6
345V34.6Very low30.6Very low155 Ų155122.8 Ų122.894%0.93983%0.829SS**  trans18.7125.8131.6-178.90000119.2
346G26.6Very low30.3Very low80 Ų80121.3 Ų121.383%0.82583%0.83SS**  trans132.9110.3152.300000114.8
347G29.6Very low30.4Very low88 Ų88120.7 Ų120.791%0.90784%0.835SS**  cis141.589.8-5.900000112.8
348G28Very low30.2Very low77 Ų77115.3 Ų115.379%0.79484%0.838SS**  trans166.8131.6174.900000112.8
349S37.2Very low30.1Very low133 Ų133110.3 Ų110.393%0.9384%0.837SS**  trans-138.3144.4-172.6-62.20000112.8
350G31.1Very low30Very low84 Ų84108 Ų10887%0.86684%0.843SS**  trans136.9144171.200000112.3
351G30.1Very low30.1Very low80 Ų80105.6 Ų105.683%0.82584%0.838SS**  cis168.3146.6-9.700000112.7
352G29.8Very low29.9Very low84 Ų84111.5 Ų111.587%0.86685%0.846SS**  trans69.789.1152.600000121
353G29.6Very low29.7Very low85 Ų85110.4 Ų110.488%0.87684%0.84SS**  trans74.3-178.4135.400000119.9
354G28.5Very low29.5Very low89 Ų89116.4 Ų116.492%0.91885%0.853SS**  trans94141.3179.700000114.5
355G29.4Very low29.2Very low86 Ų86112.3 Ų112.389%0.88784%0.842SS**  trans-122.8167163.700000109.5
356G27.8Very low28.9Very low76 Ų76111.6 Ų111.678%0.78483%0.833SS**  trans164.9154.6178.900000113
357E28.7Very low28.8Very low197 Ų197117.6 Ų117.692%0.92184%0.837SS**  trans-90.5155.8-175.4-56.7129.994.700113.7
358G27.9Very low28.7Very low77 Ų77118 Ų11879%0.79483%0.826SS**  trans92.6147.9140.600000120.3
359G26.6Very low28.7Very low83 Ų83120.1 Ų120.186%0.85683%0.828SS**  trans78.4144.5169.500000115.3
360G28.5Very low28.4Very low74 Ų74119.1 Ų119.176%0.76382%0.821SS**  cis93.714118.500000111.2
361I29.6Very low28.3Very low157 Ų157118.3 Ų118.381%0.80581%0.813SS**  cis-158.2132.59.4-62.5171000109
362Y29Very low28.3Very low227 Ų227123.6 Ų123.689%0.8982%0.816SS**  trans173.3132.7132.865.4-101.6000110
363N27.3Very low28.3Very low142 Ų142129 Ų12976%0.75982%0.816SS**  cis108.5106.215.7-178.524.6000113.9
364K26.7Very low29.4Very low193 Ų193130.6 Ų130.684%0.83981%0.811SS**  trans-162.9116144.1-159.8157.9-178174.10114
365S27.3Very low29.3Very low91 Ų91132.6 Ų132.664%0.63681%0.809SS**  trans47.6117.5159.655.30000120
366N27.4Very low29.2Very low141 Ų141133.5 Ų133.575%0.75480%0.802SS**  62.9134.575.5-75.611.5000114
367F25.1Very low29.1Very low205 Ų205139.3 Ų139.390%0.89980%0.802SS**  cis-118.7169.745.6-95-99.9000117.8
368S28.1Very low29.1Very low97 Ų97137.8 Ų137.868%0.67879%0.792SS**  trans-148.4149.8177.2-49.80000112
369S27.3Very low29.1Very low121 Ų121136.8 Ų136.885%0.84678%0.782SS**  trans-178.2147.3153.9-850000110.2
370S31.2Very low29.4Very low112 Ų112138 Ų13878%0.78378%0.777SS**  cis-166.5149.4-4.8440000111.9
371G27.7Very low29.5Very low67 Ų67143.1 Ų143.169%0.69178%0.781SS**  trans83.8156.2162.200000117.4
372E31.1Very low29.5Very low192 Ų192138.7 Ų138.790%0.89778%0.775SS**  cis-162-178.5-23.948.6-158.7105.700111.2
373K29.8Very low29.6Very low196 Ų196134.6 Ų134.685%0.85277%0.774SS**  trans-114.8-179.1-174.6-72.1-175-178.4-179.80110.3
374P52.8Low29.8Very low120 Ų120135.4 Ų135.478%0.77977%0.773SS**  cis-130.1176.1-42.435-19.2000112.7
375C26Very low30.1Very low131 Ų131129.6 Ų129.689%0.88577%0.768SS**  trans-161.8-177.6145.3-143.20000113.6
376S27.2Very low30.1Very low104 Ų104136.6 Ų136.673%0.72778%0.78SS**  trans-134.8-167.8-16760.60000113.4
377Y26.1Very low30.1Very low198 Ų198133.3 Ų133.378%0.77678%0.78SS**  trans80.9137.1167.9-144.5-138.2000114.9
378F29.3Very low30.5Very low165 Ų165131.1 Ų131.172%0.72478%0.778SS**  cis-96.8-174.5-5.2-93.6-105.2000111.5
379G26.2Very low31.6Very low57 Ų57131.1 Ų131.159%0.58878%0.775SS**  cis121.7114.1-7.400000115.3
380S33.6Very low31.8Very low107 Ų107131.8 Ų131.875%0.74877%0.769SS**  trans62.5137.7167.7-82.80000119.9
381E31.2Very low31.6Very low182 Ų182136.3 Ų136.385%0.8577%0.771SS**  cis-166.2175.2-8.950.3-165.859.900109.2
382G28.9Very low32.4Very low65 Ų65137 Ų13767%0.6776%0.763SS**  cis-166.4-117.913.700000115.7
383T31.4Very low32.4Very low141 Ų141136.5 Ų136.587%0.86576%0.758SS**  trans-156.2159.7-145.91.30000110.6
384Q30.7Very low32.3Very low158 Ų158135.2 Ų135.274%0.73876%0.755SS**  cis-143.3170.719.6-56.4178.523.600112.5
385G34.2Very low31Very low71 Ų71135 Ų13573%0.73275%0.751SS**  trans-142.4139.116200000112
386W27.3Very low31.2Very low238 Ų238134.2 Ų134.290%0.90275%0.747SS**  trans-150.9148.2172.1-58.583.3000106.5
387G27.1Very low31.4Very low72 Ų72139 Ų13974%0.74276%0.755SS**  cis176.2133.3-7.100000109.5
388D32.6Very low31.4Very low160 Ų160140.5 Ų140.586%0.85676%0.761SS**  trans-78.8-179.8172.1-131.6-19.5000109.8
389P52.4Low31.4Very low97 Ų97137.6 Ų137.663%0.6376%0.757SS**  cis-155.6-178.246.445-23000119.8
390D30.1Very low31.7Very low134 Ų134142.3 Ų142.372%0.71776%0.764SS**  trans68.4138.9153.7-74.8-60.6000119.4
391Y28.3Very low31.6Very low207 Ų207144.8 Ų144.881%0.81276%0.764SS**  cis-150.9160.629.6-165.3-106.1000112.8
392P45Very low31.4Very low83 Ų83146.9 Ų146.954%0.53976%0.764SS.*  trans-121.1-176.4-157.742.4-32.1000118.6
393K29.3Very low31.8Very low180 Ų180148.7 Ų148.778%0.78377%0.766SS**  trans94.8141172.3-57.5173.8-176.1172.70115
394Q28.3Very low32Very low169 Ų169151.4 Ų151.479%0.7977%0.766SS**  cis-160.6165.25.9-137.4-179-38.900113.9
395V26.4Very low32.3Very low115 Ų115147.8 Ų147.870%0.69776%0.758SS**  trans78.3106.7154.4178.70000121.3
396S28.8Very low32.1Very low116 Ų116154 Ų15481%0.81177%0.765SS**  trans68.3152135.4-610000125.2
397F31.6Very low32.3Very low204 Ų204146.5 Ų146.590%0.89576%0.762SS**  trans-79.8149.3179.9-72-119.6000113.7
398Y26.6Very low32.3Very low230 Ų230146.8 Ų146.890%0.90277%0.765SS**  -162.8-175.9125-130.5-107.7000113.5
399T29.9Very low32.6Very low104 Ų104147.3 Ų147.364%0.63877%0.767SS**  trans-87.1166.4-161.2-31.40000116.6
400Q31.7Very low32.3Very low155 Ų155148.5 Ų148.572%0.72478%0.775SS**  trans101.3144136.8-119.1-173.376.500122.2
401Q31.9Very low32.7Very low159 Ų159149.8 Ų149.874%0.74378%0.781SS**  trans83.6153.1147.5-78-169.22800125.3
402R26.3Very low33.7Very low226 Ų226145.1 Ų145.185%0.85378%0.776SS**  trans105.2114.9146.5-144.7167.2-1661634.7115.9
403S38.7Very low33Very low103 Ų103148.8 Ų148.872%0.7279%0.79SS**  cis90.6128.723.2-46.70000116.6
404K33.9Very low33Very low198 Ų198146.4 Ų146.486%0.86179%0.791SS**  trans-160.5115.5165.8-87.7150.8-177.2177.70106.4
405S38.2Very low33.2Very low83 Ų83148.6 Ų148.658%0.5879%0.792SS**  68.4128.564.8720000113.5
406F30.5Very low33.4Very low200 Ų200150.3 Ų150.388%0.87780%0.797SS**  cis-146.2179.611.6-52.3-97.7000109.6
407G30.4Very low33.6Very low81 Ų81150 Ų15084%0.83579%0.794SS**  cis124.7103.6-8.500000115.7
408G28.4Very low34.5Very low78 Ų78146.8 Ų146.880%0.80479%0.794SS**  trans161.4153.7171.300000117
409L36.9Very low34.5Very low171 Ų171139.5 Ų139.590%0.89579%0.789SS**  trans-140165.8175.1-83178.6000108.3
410P47.2Very low35Very low123 Ų123141.4 Ų141.480%0.79979%0.794SS**  cis-147.3-159.836.643.3-20000117.6
411L39.3Very low35.7Very low160 Ų160140 Ų14084%0.83880%0.799SS**  trans-74.9179179-63169.3000113.4
412P48.5Very low36Very low110 Ų110139.4 Ų139.471%0.71480%0.796SS**  cis-148.5-17915.945.6-25.2000120.2
413L29.6Very low37.2Very low159 Ų159133.8 Ų133.883%0.83279%0.788SS**  trans73134.5144.2-130.677.5000123.8
414T29.7Very low36.8Very low130 Ų130134 Ų13480%0.79879%0.789SS**  trans138.2152.7133.8-53.90000116.4
415R32.2Very low36.5Very low215 Ų215128.5 Ų128.581%0.81179%0.788SS**  trans-68.3157.8-173.7-66.1168.3148.4-113.81.7116
416L30.1Very low36Very low152 Ų152128.6 Ų128.680%0.79680%0.803SS**  176.8163.498.8-91.7175.6000114.1
417S34.6Very low35.8Very low109 Ų109123.1 Ų123.176%0.76280%0.803SS**  trans-132.6152172.2-52.10000109.8
418P50.1Low35.9Very low137 Ų137126 Ų12689%0.8980%0.804SS**  -143.3177.5108.437.2-21.2000112.6
419G27.2Very low36.8Very low77 Ų77127.1 Ų127.179%0.79480%0.797SS**  cis-167.5-172.35.100000113.9
420L38.7Very low36.5Very low143 Ų143126.2 Ų126.275%0.74979%0.793SS**  trans-97.1165.6-171.4-111.2166.4000112.7E422L420-E422 HydrophobicContact CD2-CG 4.46Å
421P47Very low35.7Very low126 Ų126127.7 Ų127.782%0.81879%0.794SS**  -139.6167.59135.3-18.6000116.5
422E39.1Very low35.3Very low146 Ų146124.5 Ų124.568%0.68279%0.786SS**  trans-100-167.8-171.6-122.1-164.498.700111.7L420L420-E422 HydrophobicContact CD2-CG 4.46Å
423P50.7Low34.5Very low108 Ų108125.7 Ų125.770%0.70179%0.791SS**  cis-141.8172.22441.2-20.2000119.6
424C30.1Very low34.5Very low108 Ų108123.7 Ų123.773%0.7379%0.785SS**  trans31.6137.3146.9-570000121.5
425G28.4Very low34.5Very low82 Ų82122.3 Ų122.385%0.84578%0.781SS**  cis92.1133.19.400000113.6
426G27.1Very low34.5Very low86 Ų86120 Ų12089%0.88778%0.783SS**  cis166.5155.8-6.100000111.6
427G27.1Very low34.4Very low85 Ų85119.4 Ų119.488%0.87679%0.785SS**  trans-178.9154179.400000118.2
428T31.4Very low34.2Very low142 Ų142119.8 Ų119.887%0.87179%0.788SS**  trans-88.5172.8167.240.60000110.5
429P46.9Very low33Very low100 Ų100116.7 Ų116.765%0.64978%0.78SS**  cis-148-179.923.546.4-26.6000119.2
430N31.2Very low33.6Very low152 Ų152118.8 Ų118.881%0.81378%0.783SS**  trans66.1123146.4-65.6-8.3000123.6
431N31.3Very low33.9Very low154 Ų154117.4 Ų117.482%0.82478%0.783SS**  trans93.5137.1131-116.43.7000124
432S31.5Very low33.2Very low94 Ų94120.1 Ų120.166%0.65778%0.784SS**  trans66.2117.5145.252.50000123.5
433V30.6Very low32.9Very low135 Ų135116.2 Ų116.282%0.81878%0.777SS**  trans85134.6130.9176.40000120.1
434T30.6Very low32Very low116 Ų116120.1 Ų120.171%0.71279%0.785SS**  trans-33.8144.9175.156.90000118.7
435S28.9Very low31.9Very low101 Ų101118.7 Ų118.771%0.70678%0.782SS**  156133.2110-79.30000116
436I31.1Very low32.2Very low167 Ų167125.3 Ų125.386%0.85678%0.781SS**  trans50.7149156.716173.8000123.9
437V29.5Very low32.5Very low139 Ų139132.2 Ų132.284%0.84278%0.781SS**  trans95.5137.6148.6101.80000120.9
438S29.1Very low32.8Very low118 Ų118131.6 Ų131.683%0.82577%0.767SS**  trans-71.2163.2-165.7-37.30000117.9
439G26.1Very low32.7Very low71 Ų71133.5 Ų133.573%0.73277%0.766SS**  144134.9124.200000120.1
440S40.1Very low32.1Very low122 Ų122133.7 Ų133.785%0.85377%0.769SS**  trans64.7170.7156-84.90000119.1
441P44.5Very low32.3Very low113 Ų113134.8 Ų134.873%0.73477%0.769SS**  cis-111.5174.1-7.233.9-15.7000112.2
442H31.6Very low33Very low183 Ų183132.5 Ų132.585%0.84776%0.763SS**  51.6137.661.9-110.1-40.7000113
443A32.7Very low33.1Very low64 Ų64132.4 Ų132.453%0.52977%0.768SS.*  cis-165.1-177.710.900000112.9
444Q33.1Very low33.3Very low190 Ų190131.4 Ų131.489%0.88877%0.767SS**  trans81.3141.5154.7-66.8176.646.900119.2
445A27.1Very low33.5Very low79 Ų79131 Ų13165%0.65378%0.775SS**  cis-165171.4-8.900000114.8
446R34.2Very low33.7Very low220 Ų220129.9 Ų129.983%0.8378%0.779SS**  trans89.6116.1167.4-54.3-171.6-176.1-102.9-4.9114.8
447R34.8Very low33.9Very low232 Ų232129.9 Ų129.988%0.87578%0.781SS**  81.4131.156.1-75.8-172.2-171.6-172.44.4112
448A32Very low34Very low71 Ų71126.4 Ų126.459%0.58777%0.773SS**  cis-165.2-176.8-2.100000112.1
449H31.3Very low34.2Very low183 Ų183130.3 Ų130.385%0.84778%0.776SS**  trans77.7138.1171.9-49.9-84.3000116
450S32.6Very low34.8Very low103 Ų103132.7 Ų132.772%0.7278%0.779SS**  cis-165.8179.7-8.9410000111.6
451E36.3Very low34.5Very low176 Ų176130.5 Ų130.582%0.82278%0.775SS**  trans84.6152.3171.5-63-71.777.900119.2
452P46Very low34Very low106 Ų106136.5 Ų136.569%0.68878%0.783SS**  trans-136.3174.7-145.342.9-25.2000118.3
453A33.5Very low34.3Very low91 Ų91135.8 Ų135.875%0.75278%0.784SS**  trans67.5149.415200000119.5
454S35.4Very low34.5Very low114 Ų114138.3 Ų138.380%0.79780%0.796SS**  cis-165151.9-15.8-102.50000111.9
455A34.3Very low35.2Very low108 Ų108135 Ų13589%0.89379%0.788SS**  trans52.2136.1150.400000122
456G32.8Very low36.1Very low77 Ų77137.4 Ų137.479%0.79480%0.797SS**  trans162.972.4168.900000115.3
457D35.1Very low36.2Very low167 Ų167133.6 Ų133.689%0.89379%0.793SS**  trans-68148.7176.5-82.6-85.1000113.9
458G31.1Very low36.6Very low66 Ų66127.7 Ų127.768%0.6879%0.787SS**  trans-162.63.8-169.600000121.2
459F34.4Very low37.2Very low201 Ų201129.6 Ų129.688%0.88279%0.793SS**  trans63.4164.8170.6-78.9-88.5000117.7
460P38.8Very low37.9Very low121 Ų121126.5 Ų126.579%0.78679%0.79SS**  trans-93.8123.8-145.633.7-36.2000116.4
461G32.3Very low38.7Very low75 Ų75126.2 Ų126.277%0.77379%0.794SS**  trans-88116.3166.100000113.5
462R34.3Very low39.5Very low239 Ų239123.5 Ų123.590%0.90279%0.789SS**  trans23.3117.6142.4-163.3-178.8-163.1-147.35118.3P464R462-P464 WeakPolarHBondContact O-CD 3.29Å
463L39Very low40.3Very low168 Ų168123.5 Ų123.588%0.8879%0.787SS**PPolyproline II helixtrans-47.5126.5172-64.2171.8000113.8
464P36.9Very low42.4Very low118 Ų118127.1 Ų127.177%0.76678%0.781SS**PPolyproline II helixtrans-81.9133.3155.2-6.825.5000110R462R462-P464 WeakPolarHBondContact O-CD 3.29Å
465V46.7Very low45.1Very low121 Ų121125.4 Ų125.473%0.73376%0.763SS**PPolyproline II helixtrans-75.3132.5166.9176.10000108.5D467V465-D467 PolarHBondContact O-N 3Å; V465-D467 VanDerWaalsContact O-N 3.08Å
466P46.5Very low47.9Very low128 Ų128120.2 Ų120.283%0.83172%0.721SS**  trans-7792.5172.230.9-32.8000110.1
467D35.5Very low50.6Low141 Ų141119.8 Ų119.875%0.75470%0.699SS**  trans-77.6127.8173.4-123-46.8000111.4V465V465-D467 PolarHBondContact O-N 3Å; V465-D467 VanDerWaalsContact O-N 3.08Å
468S42.8Very low53.2Low107 Ų107115.2 Ų115.275%0.74868%0.677SS**SBendtrans65.9146.4167.8-620000119.5
469P45.7Very low56.1Low111 Ų111113.5 Ų113.572%0.72165%0.654SS**PPolyproline II helixtrans-84.3158.9-177.934.8-36.6000113.6
470P45.5Very low58.8Low119 Ų119111.1 Ų111.177%0.77364%0.644SS**PPolyproline II helixtrans-64150.7167.929.5-35.2000111.2T472P470-T472 PolarHBondContact O-N 3.28Å
471A50.5Low61.2Low97 Ų97113.6 Ų113.680%0.80265%0.645SS**PPolyproline II helixtrans-56.4125.2179.600000111.1V473A471-V473 PolarHBondContact O-N 2.76Å; A471-V473 VanDerWaalsContact O-N 3.1Å
472T52.3Low63.9Low119 Ų119112 Ų11273%0.7362%0.621SS**  trans-66.7112.3-173.643.20000111.3P470 R474P470-T472 PolarHBondContact O-N 3.28Å; T472-R474 PolarHBondContact O-N 3.29Å; T472-R474 VanDerWaalsContact O-N 3.17Å
473V63.4Low66.7Low106 Ų106107.1 Ų107.164%0.64261%0.607SS**PPolyproline II helixtrans-56.3120.1161.3-179.90000106.2A471 D475 K483A471-V473 PolarHBondContact O-N 2.76Å; A471-V473 VanDerWaalsContact O-N 3.1Å; V473-D475 PolarHBondContact O-N 3.41Å; V473-K483 HydrophobicContact CG1-CB 4.25Å
474R77.3Confident69.3Low166 Ų166100.1 Ų100.163%0.62657%0.571SS**PPolyproline II helixtrans-84.6117.1177.5-70-169.9179.8-174.6-0.4109T472 V484T472-R474 PolarHBondContact O-N 3.29Å; T472-R474 VanDerWaalsContact O-N 3.17Å; R474-V484 HydrophobicContact CB-CB 4.5Å; R474-V484 HydrophobicContact CB-CG2 4.01Å; R474-V484 WeakPolarHBondContact O-CB 3.35Å; R474-V484 VanDerWaalsContact O-CG2 3.27Å; R474-V484 WeakPolarHBondContact O-CG2 3.23Å; R474-V484 PolarHBondContact O-N 2.86Å
475D91.7Very high72Confident78 Ų7895.7 Ų95.742%0.41754%0.542SS..BIsolated β-bridgetrans-84.1157.8170.2-58.3-53.4000111.2V473 M477V473-D475 PolarHBondContact O-N 3.41Å; D475-M477 PolarHBondContact O-N 2.95Å
476C92.9Very high74.3Confident0 Ų089.9 Ų89.90%051%0.507CS..PPolyproline II helixtrans-64.5124.3-177.8173.60000111.1T478 C479 F480 S482 L495 C497 C500C476-T478 PolarHBondContact O-N 3.45Å; C476-C479 PolarHBondContact O-N 3.17Å; C476-F480 WeakPolarHBondContact O-CA 3.46Å; C476-F480 PolarHBondContact O-N 3.28Å; C476-S482 WeakPolarHBondContact CB-O 3.49Å; C476-S482 PolarHBondContact N-O 2.9Å; C476-L495 WeakPolarHBondContact CA-O 3.4Å; C476-C497 HydrophobicContact CB-CB 3.93Å; C476-C497 PolarHBondContact SG-N 3.14Å; C476-C500 VanDerWaalsContact SG-CB 3.53Å
477M90.6Very high76.6Confident68 Ų6884.1 Ų84.134%0.33547%0.47SS..THydrogen-bonded Turntrans-63.7-5.9-179.565.4155.45500115.5D475 F480 L495 F496 P513 V514D475-M477 PolarHBondContact O-N 2.95Å; M477-F480 WeakPolarHBondContact O-CE2 3.24Å; M477-F480 VanDerWaalsContact O-CZ 3.24Å; M477-F480 WeakPolarHBondContact O-CZ 3.4Å; M477-L495 HydrophobicContact CE-CB 3.85Å; M477-L495 HydrophobicContact CE-CD1 3.58Å; M477-L495 HydrophobicContact CE-CG 4.34Å; M477-L495 HydrophobicContact CG-CB 4.28Å; M477-L495 WeakPolarHBondContact CG-O 3.3Å; M477-L495 PolarHBondContact N-O 3.22Å; M477-F496 HydrophobicContact CG-CD1 3.98Å; M477-F496 HydrophobicContact CG-CE1 3.5Å; M477-F496 VanDerWaalsContact CG-CE1 3.5Å; M477-F496 HydrophobicContact CG-CZ 4.12Å; M477-F496 HydrophobicContact SD-CE1 3.62Å; M477-F496 HydrophobicContact SD-CZ 3.75Å; M477-P513 HydrophobicContact SD-CG 4.33Å; M477-V514 HydrophobicContact CE-CG2 3.62Å; M477-V514 HydrophobicContact SD-CG2 3.82Å
478T89.4Confident79.5Confident70 Ų7077.4 Ų77.443%0.42943%0.434SS..THydrogen-bonded Turntrans-106.6-22.6-176.1-48.60000113.1C476 F496 C500C476-T478 PolarHBondContact O-N 3.45Å; T478-F496 WeakPolarHBondContact OG1-CD1 3.49Å; T478-C500 HydrophobicContact CG2-CB 4.09Å
479C92.1Very high81.9Confident30 Ų3074.2 Ų74.220%0.20341%0.41CS..THydrogen-bonded Turntrans-130.9-15.317765.30000114.6C476 E481C476-C479 PolarHBondContact O-N 3.17Å; C479-E481 WeakPolarHBondContact O-CG 3.37Å; C479-E481 PolarHBondContact O-N 2.88Å
480F90.1Very high84.1Confident152 Ų15273.2 Ų73.267%0.66740%0.403SS*.SBendtrans58-8.1-179.5-56.8-82.6000117C476 M477C476-F480 WeakPolarHBondContact O-CA 3.46Å; C476-F480 PolarHBondContact O-N 3.28Å; M477-F480 WeakPolarHBondContact O-CE2 3.24Å; M477-F480 VanDerWaalsContact O-CZ 3.24Å; M477-F480 WeakPolarHBondContact O-CZ 3.4Å
481E89.3Confident86.5Confident172 Ų17269.1 Ų69.180%0.80438%0.377SS*.SBendtrans-93.1-23.2-179.1-66.6163.9172.200114.2C479C479-E481 WeakPolarHBondContact O-CG 3.37Å; C479-E481 PolarHBondContact O-N 2.88Å
482S90.3Very high88.4Confident41 Ų4166.8 Ų66.829%0.28736%0.362SS..SBendtrans-119.4128.5-169.3-72.10000112.3C476C476-S482 WeakPolarHBondContact CB-O 3.49Å; C476-S482 PolarHBondContact N-O 2.9Å
483K92.1Very high90.4Very high138 Ų13863.7 Ų63.760%0.634%0.339SS*.BIsolated β-bridgetrans-54.3143.5176.464.1165.8-176.5176.50113.5V473 T485V473-K483 HydrophobicContact CG1-CB 4.25Å; K483-T485 HydrophobicContact CD-CG2 4.4Å; K483-T485 HydrophobicContact CG-CG2 4.15Å; K483-T485 PolarHBondContact O-N 3Å; K483-T485 PolarHBondContact O-OG1 3.15Å
484V93.7Very high91.8Very high20 Ų2062.7 Ų62.712%0.12133%0.331CS..  trans-56.1123.9173.5168.90000110.4R474 N494 F496 I525R474-V484 HydrophobicContact CB-CB 4.5Å; R474-V484 HydrophobicContact CB-CG2 4.01Å; R474-V484 WeakPolarHBondContact O-CB 3.35Å; R474-V484 VanDerWaalsContact O-CG2 3.27Å; R474-V484 WeakPolarHBondContact O-CG2 3.23Å; R474-V484 PolarHBondContact O-N 2.86Å; V484-N494 VanDerWaalsContact CG1-O 3.23Å; V484-N494 WeakPolarHBondContact CG1-O 3.5Å; V484-F496 WeakPolarHBondContact CA-O 3.37Å; V484-I525 HydrophobicContact CG1-CD1 4.25Å
485T94.3Very high92.6Very high25 Ų2556.6 Ų56.615%0.15331%0.31CS..  trans-146.81.2-175.4390000113.4K483 F496 C497 M498 I525K483-T485 HydrophobicContact CD-CG2 4.4Å; K483-T485 HydrophobicContact CG-CG2 4.15Å; K483-T485 PolarHBondContact O-N 3Å; K483-T485 PolarHBondContact O-OG1 3.15Å; T485-F496 PolarHBondContact N-O 3.29Å; T485-C497 WeakPolarHBondContact OG1-CA 3.48Å; T485-M498 PolarHBondContact OG1-N 3.34Å; T485-I525 PolarHBondContact O-N 3.45Å
486A94.1Very high92.7Very high0 Ų052.9 Ų52.90%029%0.291CS..EExtended strand (participates in β ladder)trans-136.2154.8179.700000112.6F496 M498 A501 I523A486-F496 PolarHBondContact N-O 3.32Å; A486-M498 HydrophobicContact CB-CE 3.88Å; A486-M498 HydrophobicContact CB-SD 4.45Å; A486-A501 HydrophobicContact CB-CB 3.48Å; A486-A501 VanDerWaalsContact CB-CB 3.48Å; A486-I523 CarbonylContact C-O 3.6Å; A486-I523 VanDerWaalsContact CA-O 3.23Å; A486-I523 WeakPolarHBondContact CA-O 3.31Å
487A95.3Very high92.8Very high6 Ų653.1 Ų53.15%0.0529%0.292CS..EExtended strand (participates in β ladder)trans-126.3150.716700000110.7H493 N494 I523 I525A487-H493 VanDerWaalsContact CA-O 3.3Å; A487-H493 WeakPolarHBondContact CA-O 3.25Å; A487-N494 HydrophobicContact CB-CB 4.06Å; A487-I523 HydrophobicContact CB-CG1 4.13Å; A487-I523 PolarHBondContact N-O 2.76Å; A487-I523 WeakPolarHBondContact O-CG1 3.29Å; A487-I523 PolarHBondContact O-N 3.03Å; A487-I525 HydrophobicContact CB-CG2 3.95Å
488L95.8Very high93Very high0 Ų051 Ų510%028%0.282CS..EExtended strand (participates in β ladder)trans-96.7131.2-178.8-57.6179.4000111.2C491 G492 H493 F496 A501 I504 C512 V519 A522L488-C491 PolarHBondContact O-N 3.07Å; L488-G492 WeakPolarHBondContact O-CA 3.39Å; L488-G492 PolarHBondContact O-N 2.97Å; L488-H493 PolarHBondContact N-O 3.25Å; L488-H493 VanDerWaalsContact N-O 3.16Å; L488-F496 HydrophobicContact CD1-CD2 3.76Å; L488-F496 HydrophobicContact CD1-CE2 3.4Å; L488-F496 VanDerWaalsContact CD1-CE2 3.4Å; L488-F496 HydrophobicContact CD1-CG 4.49Å; L488-F496 HydrophobicContact CD1-CZ 3.87Å; L488-F496 HydrophobicContact CD2-CD2 4.47Å; L488-F496 HydrophobicContact CG-CD2 3.79Å; L488-F496 HydrophobicContact CG-CE2 3.87Å; L488-A501 HydrophobicContact CD2-CB 3.67Å; L488-I504 HydrophobicContact CD1-CD1 4.27Å; L488-I504 HydrophobicContact CD1-CG2 4.11Å; L488-C512 HydrophobicContact CD1-CB 4.04Å; L488-V519 HydrophobicContact CB-CG1 3.97Å; L488-V519 HydrophobicContact CB-CG2 4Å; L488-V519 HydrophobicContact CD1-CG2 4.12Å; L488-V519 HydrophobicContact CD2-CG1 4.14Å; L488-V519 HydrophobicContact CG-CG1 4.47Å; L488-A522 HydrophobicContact CD2-CB 4.36Å
489V94.5Very high93.3Very high41 Ų4153.8 Ų53.825%0.24829%0.29CS..EExtended strand (participates in β ladder)trans-97.5134.9179.2-178.70000108.9V519 T520 Q521 I523V489-V519 CarbonylContact O-C 3.59Å; V489-V519 WeakPolarHBondContact O-CA 3.44Å; V489-V519 WeakPolarHBondContact O-CG1 3.46Å; V489-T520 PolarHBondContact O-N 3.21Å; V489-Q521 HydrophobicContact CB-CB 4.13Å; V489-Q521 WeakPolarHBondContact CB-O 3.32Å; V489-Q521 HydrophobicContact CG2-CB 4.35Å; V489-Q521 PolarHBondContact N-O 2.95Å; V489-I523 HydrophobicContact CG2-CB 4.43Å; V489-I523 HydrophobicContact CG2-CD1 3.96Å; V489-I523 HydrophobicContact CG2-CG1 3.94Å; V489-I523 HydrophobicContact CG2-CG2 3.71Å
490P91.6Very high93.4Very high90 Ų9052.4 Ų52.458%0.58428%0.28SS*.THydrogen-bonded Turncis-91.9-6.37.236.6-35000115.1G492 T517 Q518P490-G492 VanDerWaalsContact C-N 3.29Å; P490-G492 PolarHBondContact O-N 3.28Å; P490-T517 HydrophobicContact CG-CG2 4.39Å; P490-Q518 WeakPolarHBondContact CD-O 3.46Å
491C94.4Very high93.7Very high32 Ų3245.1 Ų45.122%0.21625%0.248CC..THydrogen-bonded Turntrans-72.4-14.7-167.469.20000115.3L488 H493 C512 T517L488-C491 PolarHBondContact O-N 3.07Å; C491-H493 VanDerWaalsContact C-N 3.29Å; C491-H493 PolarHBondContact O-N 3.07Å; C491-H493 PolarHBondContact O-ND1 3.38Å; C491-H493 PolarHBondContact SG-ND1 3.5Å; C491-H493 VanDerWaalsContact SG-ND1 3.36Å; C491-C512 VanDerWaalsContact SG-CB 3.57Å; C491-T517 HydrophobicContact CB-CG2 4.08Å
492G92.1Very high93.9Very high48 Ų4840.3 Ų40.350%0.49523%0.227SC..  trans781.2174.800000115.8L488 P490 N494L488-G492 WeakPolarHBondContact O-CA 3.39Å; L488-G492 PolarHBondContact O-N 2.97Å; P490-G492 VanDerWaalsContact C-N 3.29Å; P490-G492 PolarHBondContact O-N 3.28Å; G492-N494 PolarHBondContact O-N 3.3Å
493H93.9Very high94.1Very high54 Ų5444.9 Ų44.925%0.2524%0.238CC..  trans-67.1116.4-173.7-74.288.6000112.1A487 L488 C491 F496 V514 C515A487-H493 VanDerWaalsContact CA-O 3.3Å; A487-H493 WeakPolarHBondContact CA-O 3.25Å; L488-H493 PolarHBondContact N-O 3.25Å; L488-H493 VanDerWaalsContact N-O 3.16Å; C491-H493 VanDerWaalsContact C-N 3.29Å; C491-H493 PolarHBondContact O-N 3.07Å; C491-H493 PolarHBondContact O-ND1 3.38Å; C491-H493 PolarHBondContact SG-ND1 3.5Å; C491-H493 VanDerWaalsContact SG-ND1 3.36Å; H493-F496 HydrophobicContact CB-CE2 4.19Å; H493-V514 HydrophobicContact CB-CG2 4.23Å; H493-C515 PolarHBondContact CE1-SG 2.87Å; H493-C515 PolarHBondContact ND1-SG 3.05Å; H493-C515 VanDerWaalsContact ND1-SG 3.36Å
494N92.9Very high94.2Very high86 Ų8639 Ų3946%0.4621%0.213SC..  trans-107.762.8-172.962.1-32.1000111.5V484 A487 G492 I525V484-N494 VanDerWaalsContact CG1-O 3.23Å; V484-N494 WeakPolarHBondContact CG1-O 3.5Å; A487-N494 HydrophobicContact CB-CB 4.06Å; G492-N494 PolarHBondContact O-N 3.3Å; N494-I525 HydrophobicContact CB-CD1 3.71Å
495L92.9Very high94.1Very high38 Ų3839.7 Ų39.720%0.19922%0.219CC..  trans-130.720.8-176.2-63.9172000112.7C476 M477 V514C476-L495 WeakPolarHBondContact CA-O 3.4Å; M477-L495 HydrophobicContact CE-CB 3.85Å; M477-L495 HydrophobicContact CE-CD1 3.58Å; M477-L495 HydrophobicContact CE-CG 4.34Å; M477-L495 HydrophobicContact CG-CB 4.28Å; M477-L495 WeakPolarHBondContact CG-O 3.3Å; M477-L495 PolarHBondContact N-O 3.22Å; L495-V514 HydrophobicContact CD1-CG2 4.44Å
496F94.1Very high94Very high0 Ų045.1 Ų45.10%024%0.242CC..BIsolated β-bridgetrans-127.2148.6-172.4-52-78.2000112M477 T478 V484 T485 A486 L488 H493 A501 I504 P513 V514M477-F496 HydrophobicContact CG-CD1 3.98Å; M477-F496 HydrophobicContact CG-CE1 3.5Å; M477-F496 VanDerWaalsContact CG-CE1 3.5Å; M477-F496 HydrophobicContact CG-CZ 4.12Å; M477-F496 HydrophobicContact SD-CE1 3.62Å; M477-F496 HydrophobicContact SD-CZ 3.75Å; T478-F496 WeakPolarHBondContact OG1-CD1 3.49Å; V484-F496 WeakPolarHBondContact CA-O 3.37Å; T485-F496 PolarHBondContact N-O 3.29Å; A486-F496 PolarHBondContact N-O 3.32Å; L488-F496 HydrophobicContact CD1-CD2 3.76Å; L488-F496 HydrophobicContact CD1-CE2 3.4Å; L488-F496 VanDerWaalsContact CD1-CE2 3.4Å; L488-F496 HydrophobicContact CD1-CG 4.49Å; L488-F496 HydrophobicContact CD1-CZ 3.87Å; L488-F496 HydrophobicContact CD2-CD2 4.47Å; L488-F496 HydrophobicContact CG-CD2 3.79Å; L488-F496 HydrophobicContact CG-CE2 3.87Å; H493-F496 HydrophobicContact CB-CE2 4.19Å; F496-A501 HydrophobicContact CB-CB 3.98Å; F496-I504 HydrophobicContact CD1-CD1 3.81Å; F496-I504 HydrophobicContact CE1-CD1 3.73Å; F496-I504 HydrophobicContact CZ-CD1 4.39Å; F496-P513 HydrophobicContact CE1-CG 3.71Å; F496-P513 HydrophobicContact CZ-CG 3.74Å; F496-V514 HydrophobicContact CE2-CG2 4.32Å; F496-V514 HydrophobicContact CZ-CG2 3.87Å
497C95.3Very high93.9Very high4 Ų449.9 Ų49.93%0.02727%0.267CS..  trans-77.7163.715972.60000109.8C476 T485 E499 C500 A501C476-C497 HydrophobicContact CB-CB 3.93Å; C476-C497 PolarHBondContact SG-N 3.14Å; T485-C497 WeakPolarHBondContact OG1-CA 3.48Å; C497-E499 VanDerWaalsContact C-N 3.34Å; C497-E499 PolarHBondContact O-N 3.5Å; C497-C500 PolarHBondContact O-N 3.47Å; C497-A501 WeakPolarHBondContact O-CB 3.47Å; C497-A501 PolarHBondContact O-N 3.42Å
498M94.8Very high93.4Very high25 Ų2557.3 Ų57.312%0.12331%0.306CS..Hα-helixtrans-55.1-45.4-178.3-173.553.857.200113.4T485 A486 C500 A501 I502 R524T485-M498 PolarHBondContact OG1-N 3.34Å; A486-M498 HydrophobicContact CB-CE 3.88Å; A486-M498 HydrophobicContact CB-SD 4.45Å; M498-C500 PolarHBondContact O-N 3.44Å; M498-A501 PolarHBondContact O-N 3.3Å; M498-I502 HydrophobicContact CG-CD1 3.77Å; M498-I502 HydrophobicContact CG-CG1 4.44Å; M498-I502 WeakPolarHBondContact O-CG1 3.47Å; M498-I502 PolarHBondContact O-N 2.85Å; M498-I502 HydrophobicContact SD-CD1 3.78Å; M498-I502 HydrophobicContact SD-CG1 4Å; M498-R524 VanDerWaalsContact CE-CA 3.44Å; M498-R524 HydrophobicContact CE-CB 3.46Å; M498-R524 VanDerWaalsContact CE-CB 3.46Å; M498-R524 HydrophobicContact CE-CG 3.87Å
499E95.8Very high92.9Very high127 Ų12764.2 Ų64.259%0.59334%0.338SS*.Hα-helixtrans-71-30.7-175.9-68.7142.7-136.100113.5C497 R503C497-E499 VanDerWaalsContact C-N 3.34Å; C497-E499 PolarHBondContact O-N 3.5Å; E499-R503 WeakPolarHBondContact O-CB 3.47Å; E499-R503 VanDerWaalsContact O-CG 3.3Å; E499-R503 WeakPolarHBondContact O-CG 3.35Å; E499-R503 PolarHBondContact O-N 3.38Å; E499-R503 PolarHBondContact O-NE 2.98Å
500C95.3Very high92.7Very high1 Ų163.5 Ų63.51%0.00733%0.334CS..Hα-helixtrans-75.1-39.1171.1-67.60000111.2C476 T478 C497 M498 R503 I504C476-C500 VanDerWaalsContact SG-CB 3.53Å; T478-C500 HydrophobicContact CG2-CB 4.09Å; C497-C500 PolarHBondContact O-N 3.47Å; M498-C500 PolarHBondContact O-N 3.44Å; C500-R503 PolarHBondContact O-N 2.86Å; C500-R503 PolarHBondContact SG-NH2 3.38Å; C500-I504 WeakPolarHBondContact O-CD1 3.41Å; C500-I504 VanDerWaalsContact O-CG1 3.28Å; C500-I504 WeakPolarHBondContact O-CG1 3.45Å; C500-I504 PolarHBondContact O-N 3.1Å
501A95.1Very high92.8Very high0 Ų063.1 Ų63.10%033%0.325CS..Hα-helixtrans-64.9-41.1178.500000112.6A486 L488 F496 C497 M498 I504 C505 A522A486-A501 HydrophobicContact CB-CB 3.48Å; A486-A501 VanDerWaalsContact CB-CB 3.48Å; L488-A501 HydrophobicContact CD2-CB 3.67Å; F496-A501 HydrophobicContact CB-CB 3.98Å; C497-A501 WeakPolarHBondContact O-CB 3.47Å; C497-A501 PolarHBondContact O-N 3.42Å; M498-A501 PolarHBondContact O-N 3.3Å; A501-I504 PolarHBondContact O-N 2.9Å; A501-C505 PolarHBondContact O-N 2.83Å; A501-C505 PolarHBondContact O-SG 3.15Å; A501-A522 HydrophobicContact CB-CB 3.59Å
502I94.6Very high92.8Very high70 Ų7061.6 Ų61.636%0.35931%0.314SS..Hα-helixtrans-63.7-50.5173.9-69.7168.7000110.4M498 I504 C505 E506 A522M498-I502 HydrophobicContact CG-CD1 3.77Å; M498-I502 HydrophobicContact CG-CG1 4.44Å; M498-I502 WeakPolarHBondContact O-CG1 3.47Å; M498-I502 PolarHBondContact O-N 2.85Å; M498-I502 HydrophobicContact SD-CD1 3.78Å; M498-I502 HydrophobicContact SD-CG1 4Å; I502-I504 PolarHBondContact O-N 3.02Å; I502-C505 WeakPolarHBondContact O-CA 3.46Å; I502-C505 WeakPolarHBondContact O-CB 3.22Å; I502-C505 PolarHBondContact O-N 3.45Å; I502-E506 HydrophobicContact CG2-CG 4.28Å; I502-E506 WeakPolarHBondContact CG2-OE1 3.35Å; I502-E506 PolarHBondContact O-N 2.75Å; I502-E506 VanDerWaalsContact O-N 3.11Å; I502-A522 HydrophobicContact CG1-CB 4.29Å
503R94.6Very high92.7Very high137 Ų13762.4 Ų62.452%0.51731%0.311SS..Hα-helixtrans-56.9-34.7178.5-78.5-178.6-72.1172.9-6.2113.5E499 C500 C505 E506E499-R503 WeakPolarHBondContact O-CB 3.47Å; E499-R503 VanDerWaalsContact O-CG 3.3Å; E499-R503 WeakPolarHBondContact O-CG 3.35Å; E499-R503 PolarHBondContact O-N 3.38Å; E499-R503 PolarHBondContact O-NE 2.98Å; C500-R503 PolarHBondContact O-N 2.86Å; C500-R503 PolarHBondContact SG-NH2 3.38Å; R503-C505 VanDerWaalsContact C-N 3.33Å; R503-E506 PolarHBondContact O-N 2.71Å
504I93.1Very high92.7Very high14 Ų1462.6 Ų62.67%0.07232%0.316CS..Hα-helixtrans-65.5-35.3173.6-71.1163000111.7L488 F496 C500 A501 I502 E506 P510 E511 P513L488-I504 HydrophobicContact CD1-CD1 4.27Å; L488-I504 HydrophobicContact CD1-CG2 4.11Å; F496-I504 HydrophobicContact CD1-CD1 3.81Å; F496-I504 HydrophobicContact CE1-CD1 3.73Å; F496-I504 HydrophobicContact CZ-CD1 4.39Å; C500-I504 WeakPolarHBondContact O-CD1 3.41Å; C500-I504 VanDerWaalsContact O-CG1 3.28Å; C500-I504 WeakPolarHBondContact O-CG1 3.45Å; C500-I504 PolarHBondContact O-N 3.1Å; A501-I504 PolarHBondContact O-N 2.9Å; I502-I504 PolarHBondContact O-N 3.02Å; I504-E506 VanDerWaalsContact C-N 3.33Å; I504-P510 WeakPolarHBondContact O-CA 3.39Å; I504-P510 VanDerWaalsContact O-CB 3.24Å; I504-P510 WeakPolarHBondContact O-CB 3.44Å; I504-E511 VanDerWaalsContact CG2-O 3.27Å; I504-E511 WeakPolarHBondContact CG2-O 3.46Å; I504-P513 HydrophobicContact CD1-CG 4.17Å
505C92.1Very high92.7Very high36 Ų3660.5 Ų60.524%0.24331%0.308CS..Hα-helixtrans-75.2-20.2176.7-57.80000113.4A501 I502 R503 V519 Q521 A522A501-C505 PolarHBondContact O-N 2.83Å; A501-C505 PolarHBondContact O-SG 3.15Å; I502-C505 WeakPolarHBondContact O-CA 3.46Å; I502-C505 WeakPolarHBondContact O-CB 3.22Å; I502-C505 PolarHBondContact O-N 3.45Å; R503-C505 VanDerWaalsContact C-N 3.33Å; C505-V519 VanDerWaalsContact SG-CG1 3.55Å; C505-Q521 VanDerWaalsContact SG-C 3.58Å; C505-A522 PolarHBondContact SG-N 3.03Å; C505-A522 VanDerWaalsContact SG-N 3.41Å
506E92.8Very high92.7Very high138 Ų13865.2 Ų65.265%0.64533%0.328SS*.THydrogen-bonded Turntrans-91.5-2.6-178.6-68.1172.7156.200113.5I502 R503 I504I502-E506 HydrophobicContact CG2-CG 4.28Å; I502-E506 WeakPolarHBondContact CG2-OE1 3.35Å; I502-E506 PolarHBondContact O-N 2.75Å; I502-E506 VanDerWaalsContact O-N 3.11Å; R503-E506 PolarHBondContact O-N 2.71Å; I504-E506 VanDerWaalsContact C-N 3.33Å
507L90.7Very high92.6Very high100 Ų10068.1 Ų68.152%0.52435%0.346SS..SBendtrans-70148.6174.3-64.7175.7000111.6H509 P510L507-H509 PolarHBondContact O-N 3.38Å; L507-H509 VanDerWaalsContact O-N 3.07Å; L507-P510 WeakPolarHBondContact O-CD 3.01Å
508N84.9Confident92.5Very high162 Ų16272.9 Ų72.987%0.86637%0.368SS*.SBendtrans-56.1-25.6172.9-69-11.8000113.4
509H86.5Confident92.5Very high145 Ų14571.9 Ų71.967%0.67136%0.363SS*.SBendtrans-130.291.1169.7-60.499000107.6L507 E511L507-H509 PolarHBondContact O-N 3.38Å; L507-H509 VanDerWaalsContact O-N 3.07Å; H509-E511 PolarHBondContact O-N 3.35Å; H509-E511 VanDerWaalsContact O-N 3.11Å
510P89.1Confident92.4Very high26 Ų2671 Ų7117%0.16937%0.367CS..  trans-78.997.6-175.330.2-32.5000109.6I504 L507 Q518 V519I504-P510 WeakPolarHBondContact O-CA 3.39Å; I504-P510 VanDerWaalsContact O-CB 3.24Å; I504-P510 WeakPolarHBondContact O-CB 3.44Å; L507-P510 WeakPolarHBondContact O-CD 3.01Å; P510-Q518 CarbonylContact O-C 3.59Å; P510-Q518 WeakPolarHBondContact O-CA 3.42Å; P510-Q518 PolarHBondContact O-NE2 3.01Å; P510-V519 WeakPolarHBondContact CG-O 3.36Å; P510-V519 PolarHBondContact O-N 3.04Å
511E94.7Very high92.2Very high82 Ų8276.4 Ų76.438%0.38339%0.392SS..BIsolated β-bridgetrans-116.1145.3178.6-75.8-177.3-156.200111.8I504 H509 P513 H516I504-E511 VanDerWaalsContact CG2-O 3.27Å; I504-E511 WeakPolarHBondContact CG2-O 3.46Å; H509-E511 PolarHBondContact O-N 3.35Å; H509-E511 VanDerWaalsContact O-N 3.11Å; E511-P513 WeakPolarHBondContact O-CD 3.17Å; E511-H516 IonicContact OE2-CG 2.7Å; E511-H516 IonicContact OE2-ND1 3.83Å; E511-H516 PolarHBondContact OE2-ND1 3.47Å
512C93.8Very high92.2Very high0 Ų077.4 Ų77.40%040%0.4CS..  trans-77.2118.9173.6174.90000110.6L488 C491 V514 C515 H516 T517 V519L488-C512 HydrophobicContact CD1-CB 4.04Å; C491-C512 VanDerWaalsContact SG-CB 3.57Å; C512-V514 PolarHBondContact O-N 2.98Å; C512-C515 VanDerWaalsContact CB-SG 3.59Å; C512-C515 PolarHBondContact O-N 2.89Å; C512-C515 VanDerWaalsContact O-N 3.07Å; C512-H516 WeakPolarHBondContact O-CA 3.49Å; C512-H516 PolarHBondContact O-N 2.81Å; C512-T517 PolarHBondContact N-O 3.27Å; C512-V519 HydrophobicContact CB-CG2 3.66Å
513P90.9Very high92.2Very high66 Ų6677.5 Ų77.543%0.42940%0.401SS..THydrogen-bonded Turntrans-71.17.2-17530.1-37000114.9M477 F496 I504 E511M477-P513 HydrophobicContact SD-CG 4.33Å; F496-P513 HydrophobicContact CE1-CG 3.71Å; F496-P513 HydrophobicContact CZ-CG 3.74Å; I504-P513 HydrophobicContact CD1-CG 4.17Å; E511-P513 WeakPolarHBondContact O-CD 3.17Å
514V92.3Very high92.2Very high58 Ų5877.6 Ų77.635%0.35240%0.401SS..THydrogen-bonded Turntrans-101.9-24173.8-159.50000112.2M477 H493 L495 F496 C512M477-V514 HydrophobicContact CE-CG2 3.62Å; M477-V514 HydrophobicContact SD-CG2 3.82Å; H493-V514 HydrophobicContact CB-CG2 4.23Å; L495-V514 HydrophobicContact CD1-CG2 4.44Å; F496-V514 HydrophobicContact CE2-CG2 4.32Å; F496-V514 HydrophobicContact CZ-CG2 3.87Å; C512-V514 PolarHBondContact O-N 2.98Å
515C92.9Very high92.1Very high42 Ų4279.2 Ų79.228%0.28441%0.409SS..THydrogen-bonded Turntrans-149.44.1-167.364.40000115.1H493 C512 T517H493-C515 PolarHBondContact CE1-SG 2.87Å; H493-C515 PolarHBondContact ND1-SG 3.05Å; H493-C515 VanDerWaalsContact ND1-SG 3.36Å; C512-C515 VanDerWaalsContact CB-SG 3.59Å; C512-C515 PolarHBondContact O-N 2.89Å; C512-C515 VanDerWaalsContact O-N 3.07Å; C515-T517 PolarHBondContact O-N 2.91Å; C515-T517 PolarHBondContact O-OG1 2.85Å; C515-T517 PolarHBondContact SG-OG1 2.81Å
516H92.7Very high91.6Very high137 Ų13786.6 Ų86.663%0.63444%0.437SS*.  trans51.219.6179.4-60.5-77.9000115.1E511 C512E511-H516 IonicContact OE2-CG 2.7Å; E511-H516 IonicContact OE2-ND1 3.83Å; E511-H516 PolarHBondContact OE2-ND1 3.47Å; C512-H516 WeakPolarHBondContact O-CA 3.49Å; C512-H516 PolarHBondContact O-N 2.81Å
517T92.4Very high90.1Very high60 Ų6088 Ų8837%0.36846%0.463SS..PPolyproline II helixtrans-80.7133175-580000108.6P490 C491 C512 C515 V519P490-T517 HydrophobicContact CG-CG2 4.39Å; C491-T517 HydrophobicContact CB-CG2 4.08Å; C512-T517 PolarHBondContact N-O 3.27Å; C515-T517 PolarHBondContact O-N 2.91Å; C515-T517 PolarHBondContact O-OG1 2.85Å; C515-T517 PolarHBondContact SG-OG1 2.81Å; T517-V519 PolarHBondContact O-N 3.35Å
518Q94.5Very high90.1Very high105 Ų10587.5 Ų87.549%0.49146%0.46SS..BIsolated β-bridgetrans-55.2130174.2-162.187.989.800110.6P490 P510P490-Q518 WeakPolarHBondContact CD-O 3.46Å; P510-Q518 CarbonylContact O-C 3.59Å; P510-Q518 WeakPolarHBondContact O-CA 3.42Å; P510-Q518 PolarHBondContact O-NE2 3.01Å
519V94.4Very high90.4Very high3 Ų383.5 Ų83.52%0.01844%0.439CS..PPolyproline II helixtrans-103.9137.8-178.9176.80000109.3L488 V489 C505 P510 C512 T517L488-V519 HydrophobicContact CB-CG1 3.97Å; L488-V519 HydrophobicContact CB-CG2 4Å; L488-V519 HydrophobicContact CD1-CG2 4.12Å; L488-V519 HydrophobicContact CD2-CG1 4.14Å; L488-V519 HydrophobicContact CG-CG1 4.47Å; V489-V519 CarbonylContact O-C 3.59Å; V489-V519 WeakPolarHBondContact O-CA 3.44Å; V489-V519 WeakPolarHBondContact O-CG1 3.46Å; C505-V519 VanDerWaalsContact SG-CG1 3.55Å; P510-V519 WeakPolarHBondContact CG-O 3.36Å; P510-V519 PolarHBondContact O-N 3.04Å; C512-V519 HydrophobicContact CB-CG2 3.66Å; T517-V519 PolarHBondContact O-N 3.35Å
520T92.2Very high90.6Very high110 Ų11080.1 Ų80.168%0.67543%0.426SS*.  trans-114-20.3177.657.50000113.5V489V489-T520 PolarHBondContact O-N 3.21Å
521Q92.5Very high90.7Very high114 Ų11483.3 Ų83.353%0.53344%0.441SS..EExtended strand (participates in β ladder)trans-159.2145-177.4-165.7177.130.900112.4V489 C505 I523V489-Q521 HydrophobicContact CB-CB 4.13Å; V489-Q521 WeakPolarHBondContact CB-O 3.32Å; V489-Q521 HydrophobicContact CG2-CB 4.35Å; V489-Q521 PolarHBondContact N-O 2.95Å; C505-Q521 VanDerWaalsContact SG-C 3.58Å; Q521-I523 HydrophobicContact CG-CG2 4.34Å
522A95Very high90.4Very high21 Ų2183.4 Ų83.417%0.17444%0.444CS..EExtended strand (participates in β ladder)trans-94.4128162.400000110.2L488 A501 I502 C505L488-A522 HydrophobicContact CD2-CB 4.36Å; A501-A522 HydrophobicContact CB-CB 3.59Å; I502-A522 HydrophobicContact CG1-CB 4.29Å; C505-A522 PolarHBondContact SG-N 3.03Å; C505-A522 VanDerWaalsContact SG-N 3.41Å
523I95.1Very high90.2Very high72 Ų7288.9 Ų88.937%0.36947%0.474SS..EExtended strand (participates in β ladder)trans-112.8140.2175.757.5169.9000111A486 A487 V489 Q521A486-I523 CarbonylContact C-O 3.6Å; A486-I523 VanDerWaalsContact CA-O 3.23Å; A486-I523 WeakPolarHBondContact CA-O 3.31Å; A487-I523 HydrophobicContact CB-CG1 4.13Å; A487-I523 PolarHBondContact N-O 2.76Å; A487-I523 WeakPolarHBondContact O-CG1 3.29Å; A487-I523 PolarHBondContact O-N 3.03Å; V489-I523 HydrophobicContact CG2-CB 4.43Å; V489-I523 HydrophobicContact CG2-CD1 3.96Å; V489-I523 HydrophobicContact CG2-CG1 3.94Å; V489-I523 HydrophobicContact CG2-CG2 3.71Å; Q521-I523 HydrophobicContact CG-CG2 4.34Å
524R93.8Very high90.2Very high139 Ų13990.6 Ų90.653%0.52548%0.477SS..EExtended strand (participates in β ladder)trans-74.8129.1174.8-168.7172-76.7-89.25.2109.5M498 F526M498-R524 VanDerWaalsContact CE-CA 3.44Å; M498-R524 HydrophobicContact CE-CB 3.46Å; M498-R524 VanDerWaalsContact CE-CB 3.46Å; M498-R524 HydrophobicContact CE-CG 3.87Å; R524-F526 HydrophobicContact CG-CE2 4.37Å; R524-F526 HydrophobicContact CG-CZ 4.21Å
525I91.9Very high90Very high48 Ų4893.1 Ų93.125%0.24649%0.487CS..  trans-106.1141.2171.358.9176.8000109.6V484 T485 A487 N494V484-I525 HydrophobicContact CG1-CD1 4.25Å; T485-I525 PolarHBondContact O-N 3.45Å; A487-I525 HydrophobicContact CB-CG2 3.95Å; N494-I525 HydrophobicContact CB-CD1 3.71Å
526F81.5Confident89.8Confident190 Ų19097.3 Ų97.383%0.83350%0.504SS*.  trans-109115.9172.3-61-84.6000107.3R524R524-F526 HydrophobicContact CG-CE2 4.37Å; R524-F526 HydrophobicContact CG-CZ 4.21Å
527S61.3Low89.5Confident169 Ų16993.7 Ų93.7100%1.18249%0.492SS*.  trans-110.70-179.960.60000110.2

Retrieved 527 of 527 residues in 556.4 ms (Link to these results)