A0A059NXK6_HUMAN Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB (Q6ZSG1), UniProt , Accession A0A059NXK6, Species HUMAN (Homo sapiens, Human), Gene ARKL2, Length 346 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.8Very low50.9Low244 Ų244153.9 Ų153.9100%1.20283%0.832SS**  01150-67.1159.590.100106.9
2V42.4Very low51Low136 Ų136149.3 Ų149.382%0.82482%0.816SS**  trans-122.7109-179.3-174.70000107V4V2-V4 PolarHBondContact O-N 3.42Å
3L49.1Very low51.5Low157 Ų157148.9 Ų148.982%0.82282%0.821SS**  trans-84.5107.9177.2-98.9158.3000108.7
4V52Low51.3Low117 Ų117151.7 Ų151.771%0.70982%0.821SS**  trans-89.9106.9174-166.40000107.7V2 V6V2-V4 PolarHBondContact O-N 3.42Å; V4-V6 PolarHBondContact O-N 3.36Å
5H59.8Low50.5Low174 Ų174146.3 Ų146.381%0.80681%0.814SS**  trans-72.9108.9177.5-89.3-108.2000110.6
6V51.6Low50.1Low141 Ų141144.1 Ų144.186%0.85581%0.812SS**  trans-93.4130.1165.81790000108.2V4V4-V6 PolarHBondContact O-N 3.36Å
7G54.1Low49.9Very low68 Ų68143.8 Ų143.870%0.70181%0.814SS**  trans115.890.417000000114.7
8Y56.6Low49.8Very low231 Ų231148.6 Ų148.691%0.90682%0.817SS**  trans-92.989.3155.3-96.6-91.3000108.9V10Y8-V10 HydrophobicContact CD1-CG2 4.19Å
9L51.9Low49.8Very low162 Ų162149.2 Ų149.285%0.84882%0.819SS**  trans-83.3103.9156.9-88.5168.2000107.5L11L9-L11 PolarHBondContact O-N 3.35Å
10V52.3Low49.8Very low123 Ų123153.6 Ų153.675%0.74582%0.823SS**  trans-89.598.5171.2179.60000108Y8Y8-V10 HydrophobicContact CD1-CG2 4.19Å
11L46.1Very low49.1Very low140 Ų140150.1 Ų150.173%0.73382%0.823SS**  trans-82.8136.2168.2-67.8172.1000109.6L9 V13L9-L11 PolarHBondContact O-N 3.35Å; L11-V13 PolarHBondContact O-N 3.21Å
12P52.4Low49.1Very low99 Ų99143 Ų14364%0.64380%0.803SS**  trans-70.4126.2175.628.3-32.9000110.9F14P12-F14 HydrophobicContact CG-CE2 4.48Å; P12-F14 PolarHBondContact O-N 3.49Å
13V57.4Low49.2Very low144 Ų144142.4 Ų142.487%0.87380%0.802SS**  trans-77.2109175.5175.70000109.6L11 G15L11-V13 PolarHBondContact O-N 3.21Å; V13-G15 PolarHBondContact O-N 3.2Å; V13-G15 VanDerWaalsContact O-N 3.1Å
14F48Very low48.9Very low188 Ų188145 Ų14583%0.82581%0.807SS**  trans-71.5100.4172.3-74.8-85000111.2P12 S16P12-F14 HydrophobicContact CG-CE2 4.48Å; P12-F14 PolarHBondContact O-N 3.49Å; F14-S16 PolarHBondContact O-N 2.84Å; F14-S16 VanDerWaalsContact O-N 3.12Å
15G39.4Very low48.3Very low70 Ų70148.9 Ų148.972%0.72282%0.817SS**  trans-70.499.2172.500000112.3V13 V17V13-G15 PolarHBondContact O-N 3.2Å; V13-G15 VanDerWaalsContact O-N 3.1Å; G15-V17 PolarHBondContact O-N 3.29Å
16S44.8Very low47.3Very low112 Ų112152.2 Ų152.278%0.78382%0.823SS**  trans-79.4102.1177.5-168.80000111.9F14F14-S16 PolarHBondContact O-N 2.84Å; F14-S16 VanDerWaalsContact O-N 3.12Å
17V46.3Very low46.9Very low139 Ų139150.5 Ų150.584%0.84282%0.817SS**  trans-90.5104.3170.2174.50000109.9G15 N19G15-V17 PolarHBondContact O-N 3.29Å; V17-N19 PolarHBondContact O-N 2.92Å
18R48.2Very low46.3Very low229 Ų229155.8 Ų155.886%0.86482%0.824SS**  trans-77110.4175-62.7164.794.3-178.89.4109.5
19N50.1Low45.5Very low161 Ų161152.4 Ų152.486%0.86182%0.816SS**  trans-83131.5169.2-159.2-10.9000110.3V17V17-N19 PolarHBondContact O-N 2.92Å
20R49Very low45.1Very low237 Ų237150 Ų15089%0.89481%0.81SS**  trans-98.4109.4-174.3-98-177168.2-179.8-3.4111.3
21G36.4Very low44.8Very low80 Ų80152 Ų15283%0.82581%0.811SS**  trans56.5112.7133.500000120.6
22A44.3Very low44.4Very low95 Ų95150.2 Ų150.279%0.78582%0.816SS**  trans-152.3114.8141.200000109.4
23P44.4Very low43.9Very low123 Ų123152 Ų15280%0.79983%0.825SS**  trans-96.6133.7173.234.4-28.5000111.1
24F41.3Very low43Very low212 Ų212150.1 Ų150.193%0.9382%0.819SS**  trans-122.1115.5161.1-100.6-83.8000109.4
25Q40.3Very low42.7Very low198 Ų198146.4 Ų146.493%0.92582%0.815SS**  trans-71.9137.3168.9-68.2176.4-79.800109.9
26R38.2Very low43Very low244 Ų244153 Ų15392%0.92182%0.818SS**  trans-144.7145.1136.6-155.4159-176.2159.70.1111.5
27S44.5Very low43Very low105 Ų105154.4 Ų154.473%0.73481%0.812SS**  trans-63.9145.7-167.448.40000115.3
28Q40.3Very low42.7Very low180 Ų180158.2 Ų158.284%0.84182%0.817SS**  trans-63.3148.1162.7-60.2165.6-9.100111.2
29H40.5Very low42.4Very low160 Ų160155 Ų15574%0.74181%0.812SS**  trans-163.8125142.5-111.9-74.7000109.8
30P43.1Very low42.3Very low112 Ų112155.9 Ų155.973%0.72782%0.816SS**  trans-97.3137.1178.835.2-30.9000112.1
31H45.3Very low41.7Very low165 Ų165147.7 Ų147.776%0.76481%0.805SS**  trans-139.9136.9171.7-56.5-70.7000110
32A38Very low42.1Very low102 Ų102150 Ų15084%0.84381%0.805SS**  trans-114.2126.5-17400000112.2
33T41.7Very low42.5Very low136 Ų136151.5 Ų151.583%0.83481%0.807SS**  trans-157.5109.1163.8-37.50000105.7
34S39.9Very low42.5Very low105 Ų105154.1 Ų154.173%0.73481%0.808SS**  65.1137.273.5-162.10000115.2
35C40.4Very low42.4Very low109 Ų109150 Ų15074%0.73680%0.803SS**  trans74.4147176.2-65.20000119
36R45.4Very low42.7Very low209 Ų209149.9 Ų149.979%0.78980%0.802SS**  cis-166.1148.6-29.6-115.6-171-179.7-168.7-1.5108.1
37H44.9Very low42.6Very low142 Ų142146.8 Ų146.866%0.65780%0.798SS**  trans30.9121.2154-65.275.8000120.9
38F41.3Very low42.3Very low218 Ų218150.4 Ų150.496%0.95681%0.809SS**  trans-128.6131.2137.3-90.1-83.1000110.5
39H41.9Very low42.4Very low161 Ų161145.8 Ų145.875%0.74580%0.801SS**  trans-101.2131-176.8-122.6-89.9000108.9
40L47Very low42.7Very low181 Ų181143.6 Ų143.695%0.94880%0.802SS**  trans-140.6117.1155.4-75.1179.5000107.9
41G36.8Very low42.8Very low65 Ų65145.6 Ų145.667%0.6781%0.806SS**  trans-106.9169.1-177.600000113.3
42P44Very low42.4Very low127 Ų127146.8 Ų146.883%0.82581%0.809SS**  trans-96164.4-174.238.3-35.7000113.7
43P54Low42.9Very low127 Ų127146.5 Ų146.583%0.82580%0.799SS**  trans-94.2130.1168.134.1-29.3000113.9
44Q43Very low43Very low178 Ų178147.7 Ų147.783%0.83280%0.799SS**  trans-2.3145.8159.3-64.2180-18.900122.9
45P40.6Very low43.1Very low126 Ų126146.9 Ų146.982%0.81880%0.799SS**PPolyproline II helixtrans-89.1155.6148.637-30.7000112.4
46Q45.4Very low43.3Very low195 Ų195150.4 Ų150.491%0.91180%0.804SS**PPolyproline II helixtrans-99.8138.7176.3-70.6179.4-57.100112.7
47Q36Very low43.6Very low179 Ų179146.9 Ų146.984%0.83681%0.808SS**PPolyproline II helixtrans-96.9147.3176.4-64.6171.3-105.100111.7
48L39Very low43.2Very low181 Ų181146.4 Ų146.495%0.94882%0.815SS**  trans-139142.7141.6-76.7-179.5000109.5
49A41.4Very low43.3Very low83 Ų83144.8 Ų144.869%0.68681%0.81SS**  trans-148.8-165.817900000106.3
50P48.2Very low43.3Very low115 Ų115141.3 Ų141.375%0.74780%0.804SS**  cis-127.9-178-20.136-18000112.4
51D45.3Very low43Very low153 Ų153141 Ų14182%0.81880%0.798SS**  -169.7162.4121.8-123-52.8000113.2
52F37.2Very low43.7Very low191 Ų191143.4 Ų143.484%0.83880%0.802SS**  trans-133-162-175.1-119.6-108000108
53P46.6Very low43.7Very low96 Ų96140.6 Ų140.662%0.62380%0.796SS**  cis-137.5-179.9-11.438.2-18.5000117.2
54L43.8Very low43.5Very low161 Ų161142.5 Ų142.584%0.84380%0.798SS**  trans64.2154.5147.3-103.861.4000120.1
55A43.9Very low43.4Very low87 Ų87139.5 Ų139.572%0.71980%0.797SS**  cis-155.2172.43.300000112.8
56H42.8Very low43.5Very low184 Ų184136.8 Ų136.885%0.85279%0.785SS**  trans-85.6174.3172.8-58.9-83.3000113.4
57P51.8Low43.4Very low134 Ų134135.5 Ų135.587%0.8778%0.779SS**  -152-168.992.939.8-19.6000117.2
58V38.3Very low43.9Very low133 Ų133134.9 Ų134.981%0.80678%0.778SS**  trans-125.7149.2-167.9156.70000112.3
59Q41.6Very low43.9Very low184 Ų184130.3 Ų130.386%0.8677%0.766SS**  trans179.1160.7152.6-102.2167.5-34.700111
60S43.1Very low44Very low88 Ų88132 Ų13262%0.61577%0.77SS**  cis-177.9135.7-3353.10000114.9
61Q40.7Very low43.4Very low174 Ų174130.6 Ų130.681%0.81377%0.768SS**  trans71170140.8-66.2-65-6.400121.4
62P51.4Low43.3Very low115 Ų115132.5 Ų132.575%0.74777%0.772SS**  cis-139.2169.2-26.930.8-10.7000117.9
63G44.5Very low43.4Very low68 Ų68131.8 Ų131.870%0.70177%0.771SS**  trans106.5143.9141.200000119.2
64L48.2Very low43.3Very low167 Ų167136.3 Ų136.387%0.87478%0.783SS**  cis-153.7144-6.9-79.5173.3000110.7
65S41.3Very low42.9Very low115 Ų115134.7 Ų134.780%0.80479%0.786SS**  trans36.4147.2138.7-54.70000123.4
66A43.2Very low42.6Very low70 Ų70134.1 Ų134.158%0.57979%0.788SS**  cis-175.2167.4-8.300000112.5
67H44.1Very low42.2Very low167 Ų167130.3 Ų130.377%0.77379%0.788SS**  trans67.2142.7149.5-67.3-39.1000120.3
68M45.1Very low41.6Very low166 Ų166131.6 Ų131.682%0.81879%0.787SS**  cis-150.4163.1-4.3-81.4-131.4172.800111.6
69A38.9Very low41.5Very low85 Ų85133.8 Ų133.870%0.70279%0.788SS**  trans-119.5-176.9158.400000107.3
70P44.7Very low41.4Very low119 Ų119133.9 Ų133.977%0.77379%0.789SS**  cis-145.8179.616.243.5-22.6000118.2
71A35.2Very low41Very low85 Ų85133.8 Ų133.870%0.70279%0.788SS**  trans32.9129.9145.800000122.4
72H43.4Very low40.6Very low193 Ų193132.3 Ų132.389%0.89479%0.785SS**  -153.3140.4127.2-108.7-78.1000111.6
73Q39.4Very low40Very low177 Ų177133.6 Ų133.683%0.82779%0.791SS**  trans-84.9148173.5-61.3165.1-12.500109.9
74H43.1Very low39.7Very low190 Ų190135.7 Ų135.788%0.8879%0.792SS**  trans-160.9128.2143.4-100.9-65.5000111.5
75S37.3Very low39.3Very low128 Ų128135.4 Ų135.490%0.89579%0.791SS**  trans-81.3141.2171.5-52.50000110.8
76G36.4Very low39.3Very low75 Ų75135.6 Ų135.677%0.77379%0.789SS**  trans-164.8109.4173.300000110.8
77A34.9Very low39.1Very low103 Ų103138.5 Ų138.585%0.85180%0.8SS**  trans-79.3127.1-178.900000111
78L39.5Very low38.9Very low162 Ų162138.5 Ų138.585%0.84881%0.805SS**  trans-134.7110.3161.7-75179.5000110.4Q80L78-Q80 PolarHBondContact O-N 3.39Å
79H35.1Very low38.6Very low178 Ų178138.9 Ų138.982%0.82481%0.805SS**  trans-67.1116.5171.9171.5-95.1000109.7
80Q40.7Very low38.5Very low187 Ų187144.2 Ų144.287%0.87481%0.812SS**  trans-123.8144.2168-71.8-161.592.800110.6L78L78-Q80 PolarHBondContact O-N 3.39Å
81S34.5Very low38.4Very low86 Ų86146.1 Ų146.160%0.60181%0.811SS**  trans-114.2157.4-155.6-161.80000111.9
82L32.1Very low38.6Very low143 Ų143149.3 Ų149.375%0.74982%0.816SS**  trans65.8112.6158.5-66.6153.2000119.2
83T39.2Very low38.7Very low142 Ų142145.9 Ų145.987%0.87181%0.809SS**  -159.5116.6118.86.90000110
84P38.4Very low39.3Very low112 Ų112144 Ų14473%0.72781%0.809SS**PPolyproline II helixtrans-79.9142174.4-9.626.6000111.9
85L39.1Very low39.7Very low160 Ų160137.5 Ų137.584%0.83879%0.794SS**PPolyproline II helixtrans-60.8145.1168.4-118.466.8000110.7T87L85-T87 PolarHBondContact O-N 3.31Å
86P41.9Very low40.3Very low120 Ų120135.7 Ų135.778%0.77978%0.779SS**PPolyproline II helixtrans-68.7126.1-177.927.2-34.1000112L88P86-L88 PolarHBondContact O-N 2.86Å
87T38.6Very low41.2Very low130 Ų130137 Ų13780%0.79878%0.776SS**PPolyproline II helixtrans-64.7119.8170.6-45.20000109.9L85 Q89L85-T87 PolarHBondContact O-N 3.31Å; T87-Q89 PolarHBondContact O-N 3.12Å
88L39.5Very low42.2Very low168 Ų168139.5 Ų139.588%0.8877%0.768SS**PPolyproline II helixtrans-66.1117.5169.3-71.9179.6000109.4P86 F90P86-L88 PolarHBondContact O-N 2.86Å; L88-F90 PolarHBondContact O-N 3.38Å
89Q39.4Very low42.8Very low174 Ų174137.6 Ų137.681%0.81376%0.758SS**PPolyproline II helixtrans-72.4127.4171.8-70-162.9-44.600110T87 Q91T87-Q89 PolarHBondContact O-N 3.12Å; Q89-Q91 PolarHBondContact O-N 3.02Å
90F36.3Very low44.1Very low197 Ų197133.5 Ų133.586%0.86475%0.748SS**  trans-72.6105.6171.1-149.8-94.9000107.8L88L88-F90 PolarHBondContact O-N 3.38Å
91Q42.5Very low45.6Very low159 Ų159131.3 Ų131.374%0.74374%0.737SS**  trans-83.7119.3171.7-78.6-179.5-4.600109.1Q89 V93Q89-Q91 PolarHBondContact O-N 3.02Å; Q91-V93 VanDerWaalsContact C-N 3.26Å; Q91-V93 PolarHBondContact O-N 2.97Å
92D39.7Very low47.2Very low152 Ų152130.1 Ų130.181%0.81373%0.732SS**  trans-62.986.4167.7-85.7-67.1000110.3T94D92-T94 PolarHBondContact O-N 2.92Å
93V45.7Very low49.2Very low121 Ų121129 Ų12973%0.73373%0.726SS**  trans-76109.2167.4173.90000107.9Q91 G95Q91-V93 VanDerWaalsContact C-N 3.26Å; Q91-V93 PolarHBondContact O-N 2.97Å; V93-G95 PolarHBondContact O-N 3.5Å
94T52.4Low51.2Low136 Ų136127.6 Ų127.683%0.83471%0.71SS**  trans-53.8102.3169.347.50000110.2D92D92-T94 PolarHBondContact O-N 2.92Å
95G51.3Low53.4Low55 Ų55129.2 Ų129.257%0.56771%0.708SS**  trans-63.4148.2-176.900000112.7V93 S97V93-G95 PolarHBondContact O-N 3.5Å; G95-S97 PolarHBondContact O-N 3.21Å
96P48.8Very low55.5Low89 Ų89127.9 Ų127.958%0.57870%0.697SS**  trans-65.4130.9-176.226.6-34.1000111.4F98 L99P96-F98 PolarHBondContact O-N 3.33Å; P96-L99 PolarHBondContact O-N 3.2Å
97S56.4Low57.5Low102 Ų102128.5 Ų128.571%0.71369%0.685SS**THydrogen-bonded Turntrans-62.33.4-179.244.70000115.6G95 P100G95-S97 PolarHBondContact O-N 3.21Å; S97-P100 WeakPolarHBondContact O-CD 3.49Å
98F54.5Low60.1Low156 Ų156126.2 Ų126.268%0.68467%0.668SS**THydrogen-bonded Turntrans-79.8-24.1174.5-88.7-96.7000114.2P96 Q101 A102P96-F98 PolarHBondContact O-N 3.33Å; F98-Q101 PolarHBondContact O-N 3.09Å; F98-A102 PolarHBondContact O-N 2.79Å; F98-A102 VanDerWaalsContact O-N 3.09Å
99L52.8Low62.4Low123 Ų123123.9 Ų123.964%0.64466%0.655SS**Hα-helixtrans-61.9-42.7-176.7-65.2176.6000114P96 Q101 L103P96-L99 PolarHBondContact O-N 3.2Å; L99-Q101 VanDerWaalsContact C-N 3.26Å; L99-Q101 PolarHBondContact O-N 2.87Å; L99-L103 PolarHBondContact O-N 3.2Å
100P63.3Low64.8Low92 Ų92121.3 Ų121.360%0.59764%0.643SS**Hα-helixtrans-61.1-34.9174.7-23.234.5000113S97 L103 H104S97-P100 WeakPolarHBondContact O-CD 3.49Å; P100-L103 PolarHBondContact O-N 3.28Å; P100-H104 WeakPolarHBondContact O-CB 3.42Å; P100-H104 PolarHBondContact O-N 3.28Å
101Q70.3Confident67.4Low141 Ų141116 Ų11666%0.65962%0.621SS**Hα-helixtrans-78-35.4-174-160.2157.5-15.500112.1F98 L99 Q105F98-Q101 PolarHBondContact O-N 3.09Å; L99-Q101 VanDerWaalsContact C-N 3.26Å; L99-Q101 PolarHBondContact O-N 2.87Å; Q101-Q105 WeakPolarHBondContact O-CB 3.1Å; Q101-Q105 PolarHBondContact O-N 3.44Å
102A69.3Low69.7Low60 Ų60114.7 Ų114.750%0.49662%0.615SS.*Hα-helixtrans-64-43.3169.700000112F98 Q105 Q106F98-A102 PolarHBondContact O-N 2.79Å; F98-A102 VanDerWaalsContact O-N 3.09Å; A102-Q105 PolarHBondContact O-N 3.04Å; A102-Q106 PolarHBondContact O-N 3.1Å
103L73.3Confident72Confident119 Ų119112.3 Ų112.362%0.62360%0.602SS**Hα-helixtrans-65.4-41.2178.3-149.2170.2000111.2L99 P100 Q105 Q106 Y107L99-L103 PolarHBondContact O-N 3.2Å; P100-L103 PolarHBondContact O-N 3.28Å; L103-Q105 PolarHBondContact O-N 3.11Å; L103-Q106 PolarHBondContact O-N 2.65Å; L103-Y107 PolarHBondContact O-N 3.3Å
104H82Confident74Confident113 Ų113112.2 Ų112.252%0.52360%0.596SS.*Hα-helixtrans-61.3-42.8173.5-173.673.1000112.5P100 Y107 L108P100-H104 WeakPolarHBondContact O-CB 3.42Å; P100-H104 PolarHBondContact O-N 3.28Å; H104-Y107 PolarHBondContact O-N 2.94Å; H104-L108 WeakPolarHBondContact O-CG 3.5Å; H104-L108 PolarHBondContact O-N 3.42Å
105Q85.1Confident75.5Confident147 Ų147111.7 Ų111.769%0.68758%0.584SS**Hα-helixtrans-65.7-38176.8-173.216585.400112.3Q101 A102 L103 L108 L109Q101-Q105 WeakPolarHBondContact O-CB 3.1Å; Q101-Q105 PolarHBondContact O-N 3.44Å; A102-Q105 PolarHBondContact O-N 3.04Å; L103-Q105 PolarHBondContact O-N 3.11Å; Q105-L108 PolarHBondContact O-N 3.44Å; Q105-L109 PolarHBondContact O-N 3.46Å; Q105-L109 VanDerWaalsContact O-N 3.09Å
106Q82.2Confident76.9Confident131 Ų131111.1 Ų111.161%0.61258%0.575SS**Hα-helixtrans-65.3-40.1174-171.8174.8-2.300112.1A102 L103 L109 Q110A102-Q106 PolarHBondContact O-N 3.1Å; L103-Q106 PolarHBondContact O-N 2.65Å; Q106-L109 PolarHBondContact O-N 3.49Å; Q106-Q110 WeakPolarHBondContact O-CB 3.35Å; Q106-Q110 PolarHBondContact O-N 3.41Å
107Y84.9Confident78.4Confident134 Ų134112.2 Ų112.253%0.52557%0.572SS.*Hα-helixtrans-61.2-44.6174.4173.9-97.8000112.4L103 H104 L109 Q110 Q111L103-Y107 PolarHBondContact O-N 3.3Å; H104-Y107 PolarHBondContact O-N 2.94Å; Y107-L109 PolarHBondContact O-N 3.2Å; Y107-Q110 WeakPolarHBondContact O-CB 3.42Å; Y107-Q110 PolarHBondContact O-N 3.48Å; Y107-Q111 WeakPolarHBondContact O-CB 3.49Å; Y107-Q111 PolarHBondContact O-N 3.15Å; Y107-Q111 PolarHBondContact OH-NE2 2.98Å
108L91.6Very high79.3Confident82 Ų82113.3 Ų113.343%0.42957%0.566SS.*Hα-helixtrans-62.1-42.2176.2-69.9173.3000112.1H104 Q105 Q111 Q112H104-L108 WeakPolarHBondContact O-CG 3.5Å; H104-L108 PolarHBondContact O-N 3.42Å; Q105-L108 PolarHBondContact O-N 3.44Å; L108-Q111 PolarHBondContact O-N 3.36Å; L108-Q112 PolarHBondContact O-N 3.08Å
109L89.4Confident80.3Confident119 Ų119115.8 Ų115.862%0.62357%0.57SS**Hα-helixtrans-63.1-43176.4-161.786.4000111.9Q105 Q106 Y107 Q111 Q112 L113Q105-L109 PolarHBondContact O-N 3.46Å; Q105-L109 VanDerWaalsContact O-N 3.09Å; Q106-L109 PolarHBondContact O-N 3.49Å; Y107-L109 PolarHBondContact O-N 3.2Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 3.13Å; L109-Q112 PolarHBondContact O-N 3.02Å; L109-L113 PolarHBondContact O-N 3.11Å
110Q88.5Confident81.1Confident119 Ų119119 Ų11956%0.55657%0.574SS**Hα-helixtrans-60.6-41.7176.5-167.580.47700111.4Q106 Y107 L113 L114Q106-Q110 WeakPolarHBondContact O-CB 3.35Å; Q106-Q110 PolarHBondContact O-N 3.41Å; Y107-Q110 WeakPolarHBondContact O-CB 3.42Å; Y107-Q110 PolarHBondContact O-N 3.48Å; Q110-L113 PolarHBondContact O-N 2.95Å; Q110-L114 PolarHBondContact O-N 3.43Å; Q110-L114 VanDerWaalsContact O-N 3.11Å
111Q90.7Very high81Confident85 Ų85121.2 Ų121.240%0.39758%0.58SS.*Hα-helixtrans-65.8-46.3178.6-173.6156.989.700111.6Y107 L108 L109 L113 L114 E115Y107-Q111 WeakPolarHBondContact O-CB 3.49Å; Y107-Q111 PolarHBondContact O-N 3.15Å; Y107-Q111 PolarHBondContact OH-NE2 2.98Å; L108-Q111 PolarHBondContact O-N 3.36Å; L109-Q111 VanDerWaalsContact C-N 3.32Å; L109-Q111 PolarHBondContact O-N 3.13Å; Q111-L113 VanDerWaalsContact C-N 3.32Å; Q111-L113 PolarHBondContact O-N 3.35Å; Q111-L114 PolarHBondContact O-N 3.43Å; Q111-E115 WeakPolarHBondContact O-CG 3.11Å; Q111-E115 PolarHBondContact O-N 2.97Å
112Q90.8Very high80.5Confident132 Ų132118.9 Ų118.962%0.61758%0.575SS**Hα-helixtrans-62.1-37.2177.1-166.9178.225.800112.6L108 L109 A116L108-Q112 PolarHBondContact O-N 3.08Å; L109-Q112 PolarHBondContact O-N 3.02Å; Q112-A116 WeakPolarHBondContact O-CB 3.33Å; Q112-A116 PolarHBondContact O-N 3.47Å
113L88.6Confident79.7Confident103 Ų103119.6 Ų119.654%0.53958%0.577SS.*Hα-helixtrans-66.3-40.4175.6-172.266.6000111.9L109 Q110 Q111 A116 Q117L109-L113 PolarHBondContact O-N 3.11Å; Q110-L113 PolarHBondContact O-N 2.95Å; Q111-L113 VanDerWaalsContact C-N 3.32Å; Q111-L113 PolarHBondContact O-N 3.35Å; L113-A116 PolarHBondContact O-N 3.29Å; L113-Q117 PolarHBondContact O-N 3.05Å
114L87.5Confident78.4Confident118 Ų118121.9 Ų121.962%0.61858%0.584SS**Hα-helixtrans-66.7-42.2178.2-155.275.6000111.5Q110 Q111 A116 Q117 H118Q110-L114 PolarHBondContact O-N 3.43Å; Q110-L114 VanDerWaalsContact O-N 3.11Å; Q111-L114 PolarHBondContact O-N 3.43Å; L114-A116 VanDerWaalsContact C-N 3.35Å; L114-A116 PolarHBondContact O-N 3.32Å; L114-Q117 PolarHBondContact O-N 2.94Å; L114-H118 WeakPolarHBondContact O-CB 3.14Å; L114-H118 PolarHBondContact O-N 3.32Å
115E85.1Confident76.4Confident125 Ų125121.5 Ų121.558%0.58459%0.591SS**Hα-helixtrans-62-40.4172.5-71.6-175.3157.400112.2Q111 H118 R119Q111-E115 WeakPolarHBondContact O-CG 3.11Å; Q111-E115 PolarHBondContact O-N 2.97Å; E115-H118 PolarHBondContact O-N 3.4Å; E115-R119 WeakPolarHBondContact O-CB 3.25Å; E115-R119 WeakPolarHBondContact O-CG 3.44Å; E115-R119 PolarHBondContact O-N 3.39Å
116A80.6Confident74.1Confident44 Ų44125 Ų12536%0.36460%0.598SS.*Hα-helixtrans-65.2-37.217600000112.4Q112 L113 L114 R120Q112-A116 WeakPolarHBondContact O-CB 3.33Å; Q112-A116 PolarHBondContact O-N 3.47Å; L113-A116 PolarHBondContact O-N 3.29Å; L114-A116 VanDerWaalsContact C-N 3.35Å; L114-A116 PolarHBondContact O-N 3.32Å; A116-R120 WeakPolarHBondContact O-CG 3.31Å; A116-R120 PolarHBondContact O-N 3.49Å
117Q79Confident72Confident111 Ų111131 Ų13152%0.51962%0.615SS.*Hα-helixtrans-67.8-44.9172.1-74.7-168.6-34.400111.9L113 L114 R119 R120 L121L113-Q117 PolarHBondContact O-N 3.05Å; L114-Q117 PolarHBondContact O-N 2.94Å; Q117-R119 VanDerWaalsContact C-N 3.31Å; Q117-R119 PolarHBondContact O-N 3.3Å; Q117-R120 PolarHBondContact O-N 3.04Å; Q117-R120 VanDerWaalsContact O-N 3.14Å; Q117-L121 WeakPolarHBondContact O-CG 3.31Å; Q117-L121 PolarHBondContact O-N 3.47Å
118H76.8Confident69.7Low126 Ų126130.7 Ų130.758%0.58363%0.633SS**Hα-helixtrans-61.3-39.7177-164.8-102.6000111.7L114 E115 R120 L121 V122L114-H118 WeakPolarHBondContact O-CB 3.14Å; L114-H118 PolarHBondContact O-N 3.32Å; E115-H118 PolarHBondContact O-N 3.4Å; H118-R120 PolarHBondContact O-N 3.21Å; H118-L121 PolarHBondContact O-N 3.15Å; H118-V122 WeakPolarHBondContact O-CB 3.44Å; H118-V122 VanDerWaalsContact O-CG2 3.31Å; H118-V122 WeakPolarHBondContact O-CG2 3.37Å; H118-V122 PolarHBondContact O-N 2.89Å
119R74.4Confident67Low207 Ų207134.7 Ų134.778%0.78165%0.649SS**Hα-helixtrans-57-47.2171.6-75.8-89.4-177.9174-1.3112.1E115 Q117 S123E115-R119 WeakPolarHBondContact O-CB 3.25Å; E115-R119 WeakPolarHBondContact O-CG 3.44Å; E115-R119 PolarHBondContact O-N 3.39Å; Q117-R119 VanDerWaalsContact C-N 3.31Å; Q117-R119 PolarHBondContact O-N 3.3Å; R119-S123 WeakPolarHBondContact O-CB 3.28Å; R119-S123 PolarHBondContact O-N 3.1Å; R119-S123 PolarHBondContact O-OG 2.87Å; R119-S123 VanDerWaalsContact O-OG 3.06Å
120R69.6Low64.4Low192 Ų192137.9 Ų137.973%0.72566%0.661SS**Hα-helixtrans-66.7-36.1178.7-69.8179.3-163.3-1067.1113.2A116 Q117 H118 S123A116-R120 WeakPolarHBondContact O-CG 3.31Å; A116-R120 PolarHBondContact O-N 3.49Å; Q117-R120 PolarHBondContact O-N 3.04Å; Q117-R120 VanDerWaalsContact O-N 3.14Å; H118-R120 PolarHBondContact O-N 3.21Å; R120-S123 PolarHBondContact O-OG 3.34Å
121L60.9Low62.1Low138 Ų138144.1 Ų144.172%0.72368%0.68SS**Hα-helixtrans-73.7-40178.8-72.1165.2000112Q117 H118Q117-L121 WeakPolarHBondContact O-CG 3.31Å; Q117-L121 PolarHBondContact O-N 3.47Å; H118-L121 PolarHBondContact O-N 3.15Å
122V60.3Low59.4Low91 Ų91146.5 Ų146.555%0.55270%0.7SS**Hα-helixtrans-80.5-21.6-179.6176.50000112.6H118 H124H118-V122 WeakPolarHBondContact O-CB 3.44Å; H118-V122 VanDerWaalsContact O-CG2 3.31Å; H118-V122 WeakPolarHBondContact O-CG2 3.37Å; H118-V122 PolarHBondContact O-N 2.89Å; V122-H124 PolarHBondContact O-N 2.81Å; V122-H124 VanDerWaalsContact O-N 3.17Å
123S52.5Low56.9Low76 Ų76146.2 Ų146.253%0.53171%0.712SS.*THydrogen-bonded Turntrans-73.92.9179.761.70000115.7R119 R120 P125R119-S123 WeakPolarHBondContact O-CB 3.28Å; R119-S123 PolarHBondContact O-N 3.1Å; R119-S123 PolarHBondContact O-OG 2.87Å; R119-S123 VanDerWaalsContact O-OG 3.06Å; R120-S123 PolarHBondContact O-OG 3.34Å; S123-P125 WeakPolarHBondContact O-CD 3.14Å
124H45.4Very low54.7Low166 Ų166146.7 Ų146.777%0.76972%0.719SS**  trans-115.561.1176.5-77.5-68.9000115.2V122V122-H124 PolarHBondContact O-N 2.81Å; V122-H124 VanDerWaalsContact O-N 3.17Å
125P40.4Very low52.4Low105 Ų105148.1 Ų148.168%0.68272%0.722SS**  trans-86.6119.4165.834-29000111.6S123S123-P125 WeakPolarHBondContact O-CD 3.14Å
126R37.2Very low50.3Low222 Ų222146.6 Ų146.684%0.83872%0.723SS**  trans45.3103.3157.1-68-172.7168.1-113.9-1.1119.1
127R38.5Very low48.5Very low255 Ų255152.1 Ų152.196%0.96274%0.741SS**  trans-154.165.2150.5-153.2179-172.6179.92.9115.6
128S35.5Very low46.6Very low128 Ų128157 Ų15790%0.89576%0.755SS**  trans-163.367163.9490000112.5
129Q35.7Very low44.7Very low167 Ų167158.4 Ų158.478%0.7877%0.766SS**  trans-108.7152.2159.9-166.3167.7-5.700107.5
130E35.5Very low42.9Very low186 Ų186156.4 Ų156.487%0.86977%0.765SS**  trans83.484.9171.1-149.9178.6147.200118.4
131R39.2Very low41.7Very low250 Ų250151.6 Ų151.694%0.94376%0.759SS**  -157102.9125.3-107.9-174.5-159.1147.37.3110.5
132V34.3Very low40.7Very low135 Ų135150.8 Ų150.882%0.81877%0.765SS**  trans-91.9136.9164.1173.10000107.6V134V132-V134 HydrophobicContact CG1-CG2 4.22Å
133S38Very low39.4Very low125 Ų125155.2 Ų155.287%0.87478%0.777SS**  trans-149.7150.4166.8-157.90000112.2
134V43.5Very low38.8Very low114 Ų114159.4 Ų159.469%0.69179%0.793SS**  trans-137.7148.2-155.9-169.10000108V132V132-V134 HydrophobicContact CG1-CG2 4.22Å
135H38.6Very low38.3Very low147 Ų147160.9 Ų160.968%0.68180%0.798SS**  cis-140.2165.621.6-151.852.4000110.4H137H135-H137 AromaticContact CD2-NE2 3.98Å
136P41.4Very low38.1Very low94 Ų94159.2 Ų159.261%0.6180%0.8SS**  trans-86.1167.8174.937-33.5000112
137H41.5Very low38.1Very low159 Ų159157.5 Ų157.574%0.73680%0.801SS**  trans-171.7133.7146-86.7-32.1000114.9H135H135-H137 AromaticContact CD2-NE2 3.98Å
138R38.8Very low37.6Very low215 Ų215152.9 Ų152.981%0.81180%0.795SS**  trans63.6117.7148.6-66-169.5174.6-164.9-1.5120
139L38.5Very low37.4Very low154 Ų154155.8 Ų155.881%0.80679%0.794SS**  64.3134.186.5-63.2174.7000112.8
140H36Very low37.1Very low165 Ų165154.3 Ų154.376%0.76480%0.796SS**  cis-157.5158.518.1-175.6-91.5000110
141P43.2Very low36.9Very low92 Ų92151.4 Ų151.460%0.59779%0.794SS**  trans-89.7168.9-177.936.3-38.2000114.9
142S39.7Very low36.3Very low121 Ų121147.3 Ų147.385%0.84679%0.786SS**  trans-146.4143.9158.2-76.70000110.8
143F34.4Very low36.4Very low183 Ų183146.4 Ų146.480%0.80378%0.783SS**  trans-83.7158.7178.1-66.8-109000111
144D40.2Very low36.3Very low165 Ų165150.8 Ų150.888%0.88278%0.78SS**  trans-148.8153.5132.2-132.6-47.6000112
145F34.5Very low35.7Very low197 Ų197156.7 Ų156.786%0.86479%0.791SS**  trans-120.4125-163.8-134.6-93.8000109.4
146G35.7Very low35.5Very low70 Ų70155.2 Ų155.272%0.72279%0.788SS**  trans-159.1109.5-173.300000116.1
147Q36.6Very low35.1Very low185 Ų185155.9 Ų155.986%0.86480%0.801SS**  trans65.3110.2159.9-129.369.9-1.900120.2
148L28.1Very low34.8Very low158 Ų158155.8 Ų155.883%0.82780%0.801SS**  trans-43.9136.6165-74.363.4000114.4
149Q31.9Very low34.4Very low190 Ų190149.1 Ų149.189%0.88880%0.799SS**  -163110120.4-106.717532.300110.1P151Q149-P151 WeakPolarHBondContact O-CD 3.42Å
150T28.7Very low34.4Very low135 Ų135146.9 Ų146.983%0.82879%0.792SS**  trans-73.6120.5171.339.70000110.9Q152T150-Q152 PolarHBondContact O-N 3.09Å
151P31.7Very low34.2Very low126 Ų126145.8 Ų145.882%0.81879%0.792SS**  trans-79.6112.7159.718.8-4.7000108.2Q149Q149-P151 WeakPolarHBondContact O-CD 3.42Å
152Q27.7Very low33.9Very low164 Ų164150.2 Ų150.277%0.76680%0.797SS**  trans-58.9146.6167.6-73.8-158.619.900110.3T150 R154T150-Q152 PolarHBondContact O-N 3.09Å; Q152-R154 VanDerWaalsContact C-N 3.33Å; Q152-R154 PolarHBondContact O-N 3.08Å
153P35.2Very low33.8Very low116 Ų116149.6 Ų149.675%0.75378%0.784SS**  trans-67.195.2166.329.5-32.4000108.4Y155P153-Y155 PolarHBondContact O-N 3.32Å
154R36.6Very low33.7Very low216 Ų216148.7 Ų148.782%0.81579%0.787SS**  trans-62.5110.5172.4-83.9-172.9166.4138.4-2.1108.8Q152 L156Q152-R154 VanDerWaalsContact C-N 3.33Å; Q152-R154 PolarHBondContact O-N 3.08Å; R154-L156 HydrophobicContact CB-CG 4.48Å; R154-L156 PolarHBondContact O-N 2.59Å
155Y31Very low33.6Very low238 Ų238145.3 Ų145.393%0.93378%0.776SS**  trans-61.987152.8-92.9-99.5000107.9P153P153-Y155 PolarHBondContact O-N 3.32Å
156L34.2Very low33.6Very low117 Ų117142.6 Ų142.661%0.61378%0.775SS**  trans-91.7108.1164.7-95.2167.6000108R154 E158R154-L156 HydrophobicContact CB-CG 4.48Å; R154-L156 PolarHBondContact O-N 2.59Å; L156-E158 VanDerWaalsContact C-N 3.26Å; L156-E158 HydrophobicContact CD2-CG 4.41Å; L156-E158 PolarHBondContact O-N 3.08Å
157A33.1Very low33.5Very low108 Ų108146.8 Ų146.889%0.89378%0.781SS**  trans-77.180.2168.400000108.8
158E34.5Very low33.3Very low157 Ų157142.5 Ų142.573%0.73478%0.777SS**  trans-120.2128169.3-68.9-176.1178.700108.2L156L156-E158 VanDerWaalsContact C-N 3.26Å; L156-E158 HydrophobicContact CD2-CG 4.41Å; L156-E158 PolarHBondContact O-N 3.08Å
159G31.2Very low33.6Very low74 Ų74138.2 Ų138.276%0.76377%0.771SS**  trans-63.7150.4-164.100000112.9D161G159-D161 PolarHBondContact O-N 2.92Å
160T37.9Very low33.7Very low107 Ų107137.8 Ų137.866%0.65677%0.774SS**  trans-55.5107.3163.545.20000109.2W162T160-W162 VanDerWaalsContact CB-NE1 3.32Å; T160-W162 PolarHBondContact O-N 2.88Å; T160-W162 VanDerWaalsContact O-N 3.11Å; T160-W162 VanDerWaalsContact OG1-CD1 3.3Å; T160-W162 PolarHBondContact OG1-NE1 3.11Å
161D32.8Very low33.8Very low142 Ų142136.5 Ų136.576%0.75977%0.771SS**  trans-61.9108.4168.8-177.845.1000108.8G159G159-D161 PolarHBondContact O-N 2.92Å
162W37.3Very low34.1Very low186 Ų186136.9 Ų136.971%0.70577%0.773SS**  trans-11242175.2-67.5108.5000109.7T160 L164T160-W162 VanDerWaalsContact CB-NE1 3.32Å; T160-W162 PolarHBondContact O-N 2.88Å; T160-W162 VanDerWaalsContact O-N 3.11Å; T160-W162 VanDerWaalsContact OG1-CD1 3.3Å; T160-W162 PolarHBondContact OG1-NE1 3.11Å; W162-L164 PolarHBondContact O-N 2.68Å
163D37.5Very low34.5Very low108 Ų108133.1 Ų133.158%0.57877%0.77SS**  trans-70.399.9176.1-168.648.6000111.1S165D163-S165 PolarHBondContact O-N 2.97Å; D163-S165 VanDerWaalsContact OD2-CB 3.29Å; D163-S165 WeakPolarHBondContact OD2-CB 3.45Å; D163-S165 PolarHBondContact OD2-OG 3.24Å
164L31.9Very low34.4Very low164 Ų164136.4 Ų136.486%0.85978%0.776SS**  trans-8063.7168.4-72.5169.3000109.5W162 V166W162-L164 PolarHBondContact O-N 2.68Å; L164-V166 VanDerWaalsContact C-N 3.33Å; L164-V166 PolarHBondContact O-N 3.03Å
165S36.7Very low34.3Very low93 Ų93136 Ų13665%0.6578%0.78SS**  trans-6696168-89.40000110D163 D167D163-S165 PolarHBondContact O-N 2.97Å; D163-S165 VanDerWaalsContact OD2-CB 3.29Å; D163-S165 WeakPolarHBondContact OD2-CB 3.45Å; D163-S165 PolarHBondContact OD2-OG 3.24Å; S165-D167 PolarHBondContact O-N 3.08Å
166V34.6Very low34.3Very low141 Ų141134.3 Ų134.386%0.85578%0.78SS**  trans-56.1114.1154.8161.40000107.7L164L164-V166 VanDerWaalsContact C-N 3.33Å; L164-V166 PolarHBondContact O-N 3.03Å
167D34.6Very low34.5Very low157 Ų157135.1 Ų135.184%0.8479%0.79SS**  trans-148152.9147.8-135.3-35.1000112.8S165S165-D167 PolarHBondContact O-N 3.08Å
168A33Very low34.7Very low95 Ų95140.8 Ų140.879%0.78579%0.788SS**  trans-94.7105.9-162.500000112.6
169G32.5Very low35Very low69 Ų69139 Ų13971%0.71179%0.791SS**  trans86.8134.1163.800000114.9
170L34.5Very low35.7Very low181 Ų181142.6 Ų142.695%0.94879%0.791SS**  trans177.3160.2139.7-91.8168.9000107.5
171S32.3Very low35.8Very low107 Ų107142 Ų14275%0.74879%0.789SS**  trans-81.9150.4-159.846.30000115.3
172P37.3Very low36.6Very low135 Ų135143.4 Ų143.488%0.87779%0.791SS**  trans-84.1120.5178.832.6-32.5000111.7
173A35.1Very low37.1Very low85 Ų85141.3 Ų141.370%0.70279%0.789SS**  trans-129.6117.4168.200000111.4
174Q34.3Very low37.4Very low185 Ų185144.9 Ų144.986%0.86480%0.795SS**  trans60.186.6150.5-56.6-178.6-3.200119.1
175F34.6Very low38.1Very low208 Ų208144.6 Ų144.691%0.91279%0.789SS**  trans-134.3114.1140.3-93-85.1000110.1
176Q30.6Very low38.5Very low201 Ų201148.5 Ų148.594%0.93980%0.797SS**  trans-89.1112.2173-77.2-169.6-38.200110.2
177V38.1Very low38.9Very low135 Ų135152.4 Ų152.482%0.81880%0.798SS**  trans-105.7132.5167.8-178.70000108.6
178R36.3Very low39.2Very low226 Ų226152.2 Ų152.285%0.85380%0.796SS**PPolyproline II helixtrans-67.8146.1-175.7-69.3-161.474.1-170.12.5112
179P42.2Very low39.6Very low121 Ų121151.7 Ų151.779%0.78679%0.792SS**PPolyproline II helixtrans-75.4129.5179.129.3-32.4000111.9
180I45.5Very low40.2Very low149 Ų149154.3 Ų154.376%0.76480%0.795SS**PPolyproline II helixtrans-88141.9171.5-64.3172000108.8Q182I180-Q182 PolarHBondContact O-N 2.87Å
181P39.4Very low40.8Very low95 Ų95150.6 Ų150.662%0.61778%0.781SS**PPolyproline II helixtrans-60.9131.2-173.5-26.836.7000115.1H183P181-H183 VanDerWaalsContact C-N 3.3Å; P181-H183 PolarHBondContact O-N 2.82Å
182Q49.8Very low41.4Very low170 Ų170154.7 Ų154.779%0.79478%0.78SS**SBendtrans-77.512.2-160.9-62.6173.8-49.600117.1I180 Y184I180-Q182 PolarHBondContact O-N 2.87Å; Q182-Y184 PolarHBondContact O-N 3Å
183H48.1Very low41.7Very low143 Ų143154.8 Ų154.866%0.66277%0.771SS**THydrogen-bonded Turntrans-86.21.9-162.758.6-79.3000116.3P181P181-H183 VanDerWaalsContact C-N 3.3Å; P181-H183 PolarHBondContact O-N 2.82Å
184Y44.4Very low42.3Very low183 Ų183157.1 Ų157.172%0.71877%0.767SS**THydrogen-bonded Turntrans-120.91.9-178.6-84.9-79000115.9Q182 H186Q182-Y184 PolarHBondContact O-N 3Å; Y184-H186 PolarHBondContact O-N 2.95Å
185Q45.3Very low42.6Very low157 Ų157156.9 Ų156.973%0.73477%0.765SS**G310 helixtrans-75.9-15.1-173.4-72.7-144.4-52.200115.9Y187Q185-Y187 PolarHBondContact O-N 2.99Å
186H45.8Very low42.8Very low176 Ų176155.2 Ų155.282%0.81576%0.758SS**G310 helixtrans-80.1-8.6-171.8-69.3-62.3000115.9Y184Y184-H186 PolarHBondContact O-N 2.95Å
187Y42.7Very low43.2Very low223 Ų223151 Ų15188%0.87575%0.748SS**G310 helixtrans-107.4-4.5-178-80.8-81.1000115.3Q185Q185-Y187 PolarHBondContact O-N 2.99Å
188L41.7Very low43.4Very low152 Ų152156.9 Ų156.980%0.79676%0.755SS**  trans-1257.2-173.2-66.6176.6000114.7T190L188-T190 VanDerWaalsContact C-N 3.29Å; L188-T190 PolarHBondContact O-N 3.45Å
189A40.7Very low43.6Very low85 Ų85151.7 Ų151.770%0.70275%0.745SS**  trans-79.973.1176.200000111.5
190T46.4Very low44Very low124 Ų124151.5 Ų151.576%0.76175%0.746SS**  trans-59.2127.3157.644.40000108.1L188 R192L188-T190 VanDerWaalsContact C-N 3.29Å; L188-T190 PolarHBondContact O-N 3.45Å; T190-R192 PolarHBondContact O-N 3.02Å
191P46.7Very low43.9Very low103 Ų103148.8 Ų148.867%0.66974%0.74SS**  trans-62115.3178.9-22.333.4000109.6M193P191-M193 PolarHBondContact O-N 3.48Å
192R45.2Very low44.2Very low192 Ų192147.1 Ų147.173%0.72573%0.731SS**  trans-62.6101.9173.6-177.4179.2178.2113.5-2.5107.7T190 H194T190-R192 PolarHBondContact O-N 3.02Å; R192-H194 PolarHBondContact O-CD2 3.26Å; R192-H194 PolarHBondContact O-N 3.42Å
193M43.3Very low43.9Very low138 Ų138144.5 Ų144.568%0.6873%0.727SS**  trans-60.5102.4176.7-78.2-63.2-59.200109.6P191 H195P191-M193 PolarHBondContact O-N 3.48Å; M193-H195 PolarHBondContact O-N 2.99Å
194H46.9Very low43.7Very low133 Ų133146.4 Ų146.462%0.61674%0.736SS**  trans-64.6132.2173.3-72.5-97.7000109.1R192 F196R192-H194 PolarHBondContact O-CD2 3.26Å; R192-H194 PolarHBondContact O-N 3.42Å; H194-F196 HydrophobicContact CB-CE2 4.21Å; H194-F196 VanDerWaalsContact O-CD2 3.27Å; H194-F196 WeakPolarHBondContact O-CD2 3.39Å; H194-F196 PolarHBondContact O-N 2.97Å; H194-F196 VanDerWaalsContact O-N 3.09Å
195H40.5Very low43.6Very low181 Ų181144.8 Ų144.884%0.83874%0.737SS**  trans-68.6106.1174.7-80.249.2000109M193M193-H195 PolarHBondContact O-N 2.99Å
196F39.7Very low43.8Very low172 Ų172141.2 Ų141.275%0.75473%0.725SS**  trans-82.5136.8175.9-79.9-84.1000111.2H194H194-F196 HydrophobicContact CB-CE2 4.21Å; H194-F196 VanDerWaalsContact O-CD2 3.27Å; H194-F196 WeakPolarHBondContact O-CD2 3.39Å; H194-F196 PolarHBondContact O-N 2.97Å; H194-F196 VanDerWaalsContact O-N 3.09Å
197P38.5Very low43.9Very low112 Ų112137 Ų13773%0.72771%0.712SS**  trans-71.1146.5-176.829-34.7000111.9N199P197-N199 PolarHBondContact O-N 3.27Å
198R41.5Very low44Very low260 Ų260133.7 Ų133.798%0.98170%0.704SS**  trans-61.297.3169.9-83.5175152.7-169.1-4.9110.4
199N41.2Very low44.3Very low117 Ų117133.9 Ų133.963%0.62670%0.701SS**  trans-141.1132.3155.8-154.66.3000110.3P197 S201P197-N199 PolarHBondContact O-N 3.27Å; N199-S201 PolarHBondContact O-N 3.25Å
200S49.8Very low44.7Very low116 Ų116131.6 Ų131.681%0.81168%0.677SS**THydrogen-bonded Turntrans-74.66-16452.10000115.3
201S45.2Very low45Very low93 Ų93135.1 Ų135.165%0.6568%0.676SS**THydrogen-bonded Turntrans-100-7.3-176.347.90000114.9N199 T203N199-S201 PolarHBondContact O-N 3.25Å; S201-T203 VanDerWaalsContact C-N 3.35Å; S201-T203 PolarHBondContact O-N 3.35Å
202S45.7Very low45.3Very low60 Ų60136.9 Ų136.942%0.4268%0.68SS.*G310 helixtrans-83.92.9-170.5-153.30000115.8Q204 M205S202-Q204 PolarHBondContact O-N 2.95Å; S202-M205 PolarHBondContact O-N 3.48Å
203T42.4Very low45.7Very low115 Ų115133.7 Ų133.771%0.70667%0.668SS**G310 helixtrans-59.4-23.8-177.1-47.80000113.6S201S201-T203 VanDerWaalsContact C-N 3.35Å; S201-T203 PolarHBondContact O-N 3.35Å
204Q43.6Very low46.6Very low183 Ų183132 Ų13286%0.85567%0.668SS**G310 helixtrans-84.1-14.2177.1-67.5-165-11.600114.8S202S202-Q204 PolarHBondContact O-N 2.95Å
205M43.2Very low47.2Very low148 Ų148132.1 Ų132.173%0.72966%0.664SS**THydrogen-bonded Turntrans-92.4-19-175.9-72.3-122.460.800114.1S202 V207S202-M205 PolarHBondContact O-N 3.48Å; M205-V207 PolarHBondContact O-N 3.47Å
206V48.8Very low48.2Very low82 Ų82128.1 Ų128.150%0.49765%0.654SS.*THydrogen-bonded Turntrans-79-16.7-174.7-176.20000112.9H208 I210V206-H208 PolarHBondContact O-N 3.11Å; V206-I210 HydrophobicContact CG1-CD1 4.46Å; V206-I210 VanDerWaalsContact O-CD1 3.3Å; V206-I210 WeakPolarHBondContact O-CD1 3.27Å; V206-I210 VanDerWaalsContact O-CG1 3.29Å; V206-I210 WeakPolarHBondContact O-CG1 3.17Å
207V47.3Very low49Very low89 Ų89127.3 Ų127.354%0.53965%0.653SS.*THydrogen-bonded Turntrans-79.7-18.9-170.5-171.70000113.8M205M205-V207 PolarHBondContact O-N 3.47Å
208H44.8Very low50.2Low152 Ų152125.7 Ų125.770%0.70464%0.638SS**SBendtrans-84-33.1-168.2-138.882.5000114.8V206V206-H208 PolarHBondContact O-N 3.11Å
209E48.1Very low50.9Low157 Ų157116.2 Ų116.273%0.73460%0.604SS**G310 helixtrans-80.2-18.6-179-76.5-69131.400113.7R211E209-R211 PolarHBondContact O-N 3.02Å; E209-R211 VanDerWaalsContact O-N 3.16Å
210I50.2Low51.5Low37 Ų37117.8 Ų117.819%0.1961%0.606CS.*G310 helixtrans-69.7-16.2-173.6-46.8178.9000112.2V206 N212 Y213V206-I210 HydrophobicContact CG1-CD1 4.46Å; V206-I210 VanDerWaalsContact O-CD1 3.3Å; V206-I210 WeakPolarHBondContact O-CD1 3.27Å; V206-I210 VanDerWaalsContact O-CG1 3.29Å; V206-I210 WeakPolarHBondContact O-CG1 3.17Å; I210-N212 VanDerWaalsContact C-N 3.3Å; I210-N212 PolarHBondContact O-N 3.16Å; I210-Y213 PolarHBondContact O-N 3.41Å
211R52.4Low52Low198 Ų198117.5 Ų117.575%0.74760%0.595SS**G310 helixtrans-71.8-17.2-176.8-71.2-175.9171.7-171.5-3.3114.8E209E209-R211 PolarHBondContact O-N 3.02Å; E209-R211 VanDerWaalsContact O-N 3.16Å
212N53.2Low52.4Low140 Ų140115.5 Ų115.575%0.74958%0.583SS**G310 helixtrans-99.510.7-179.9-72.7-16.6000113.8I210 P214I210-N212 VanDerWaalsContact C-N 3.3Å; I210-N212 PolarHBondContact O-N 3.16Å; N212-P214 WeakPolarHBondContact O-CD 3.38Å
213Y52.5Low52.9Low124 Ų124116.6 Ų116.649%0.48658%0.584SS.*  trans-72.3122.2-177.5-144.7-98.6000111.3I210 Y215 L218I210-Y213 PolarHBondContact O-N 3.41Å; Y213-Y215 PolarHBondContact O-N 3.45Å; Y213-L218 HydrophobicContact CD1-CB 4.31Å; Y213-L218 HydrophobicContact CE1-CB 4.03Å; Y213-L218 HydrophobicContact CE1-CD1 3.88Å
214P64Low53.6Low103 Ų103117.2 Ų117.267%0.66958%0.579SS**SBendtrans-71.1-0.1-172.327.3-34.4000114.7N212N212-P214 WeakPolarHBondContact O-CD 3.38Å
215Y59.3Low54.1Low135 Ų135109.6 Ų109.653%0.52955%0.55SS..  trans-125.492.4179.7-68-77.8000110.7Y213 Q217 L218 H219Y213-Y215 PolarHBondContact O-N 3.45Å; Y215-Q217 PolarHBondContact O-N 2.99Å; Y215-Q217 VanDerWaalsContact O-N 3.11Å; Y215-L218 HydrophobicContact CD2-CD1 4.41Å; Y215-L218 HydrophobicContact CG-CD1 4.23Å; Y215-L218 PolarHBondContact O-N 3.06Å; Y215-H219 PolarHBondContact O-N 3.49Å
216P60.3Low54.5Low98 Ų98107.3 Ų107.364%0.63654%0.54SS*.Hα-helixtrans-63.3-17.517924.7-34000113.3H219P216-H219 WeakPolarHBondContact O-CB 3.49Å; P216-H219 PolarHBondContact O-N 3.32Å
217Q58Low54.5Low155 Ų155106.8 Ų106.872%0.72453%0.534SS*.Hα-helixtrans-70.6-36.2173-67.9156.4-11.800112.2Y215 H219 F220Y215-Q217 PolarHBondContact O-N 2.99Å; Y215-Q217 VanDerWaalsContact O-N 3.11Å; Q217-H219 VanDerWaalsContact C-N 3.25Å; Q217-H219 PolarHBondContact O-N 3.32Å; Q217-F220 PolarHBondContact O-N 2.98Å
218L62.2Low54.7Low78 Ų78108.7 Ų108.741%0.40855%0.548SS..Hα-helixtrans-75-18175.4-64178.1000112.2Y213 Y215 F220 L221 A222Y213-L218 HydrophobicContact CD1-CB 4.31Å; Y213-L218 HydrophobicContact CE1-CB 4.03Å; Y213-L218 HydrophobicContact CE1-CD1 3.88Å; Y215-L218 HydrophobicContact CD2-CD1 4.41Å; Y215-L218 HydrophobicContact CG-CD1 4.23Å; Y215-L218 PolarHBondContact O-N 3.06Å; L218-F220 VanDerWaalsContact C-N 3.31Å; L218-F220 PolarHBondContact O-N 3.37Å; L218-L221 HydrophobicContact CD2-CD2 4.43Å; L218-L221 PolarHBondContact O-N 2.79Å; L218-A222 PolarHBondContact O-N 2.97Å
219H55.8Low55.1Low61 Ų61106.8 Ų106.828%0.28255%0.552SS.*Hα-helixtrans-59.7-39.9172.8-156.294000111.9Y215 P216 Q217 A222 L223Y215-H219 PolarHBondContact O-N 3.49Å; P216-H219 WeakPolarHBondContact O-CB 3.49Å; P216-H219 PolarHBondContact O-N 3.32Å; Q217-H219 VanDerWaalsContact C-N 3.25Å; Q217-H219 PolarHBondContact O-N 3.32Å; H219-A222 PolarHBondContact O-N 3.26Å; H219-L223 WeakPolarHBondContact O-CB 3.37Å; H219-L223 VanDerWaalsContact O-CG 3.31Å; H219-L223 WeakPolarHBondContact O-CG 3.48Å; H219-L223 PolarHBondContact O-N 3.07Å
220F55.6Low55.2Low150 Ų150108.7 Ų108.766%0.65855%0.553SS**Hα-helixtrans-66.7-39.8176.2-100.2-85.8000112.7Q217 L218 L223 Q224Q217-F220 PolarHBondContact O-N 2.98Å; L218-F220 VanDerWaalsContact C-N 3.31Å; L218-F220 PolarHBondContact O-N 3.37Å; F220-L223 PolarHBondContact O-N 3.09Å; F220-Q224 WeakPolarHBondContact O-CB 3.48Å; F220-Q224 VanDerWaalsContact O-CG 3.25Å; F220-Q224 WeakPolarHBondContact O-CG 3.19Å; F220-Q224 PolarHBondContact O-N 2.84Å
221L58.8Low54.9Low110 Ų110115.5 Ų115.558%0.57658%0.583SS**Hα-helixtrans-63.9-44.2174.4-98.365.4000111.4L218 L223 Q224 G225L218-L221 HydrophobicContact CD2-CD2 4.43Å; L218-L221 PolarHBondContact O-N 2.79Å; L221-L223 PolarHBondContact O-N 3.24Å; L221-Q224 PolarHBondContact O-N 2.62Å; L221-G225 PolarHBondContact O-N 3.09Å
222A53.8Low54.6Low50 Ų50109.5 Ų109.541%0.41357%0.569SS.*Hα-helixtrans-62.4-41.9177.700000112.5L218 H219 G225L218-A222 PolarHBondContact O-N 2.97Å; H219-A222 PolarHBondContact O-N 3.26Å; A222-G225 PolarHBondContact O-N 3.04Å
223L57.6Low54.2Low83 Ų83105.6 Ų105.644%0.43555%0.553SS.*Hα-helixtrans-73.4-30177.7-68.1179.2000113.4H219 F220 L221 G225 L226H219-L223 WeakPolarHBondContact O-CB 3.37Å; H219-L223 VanDerWaalsContact O-CG 3.31Å; H219-L223 WeakPolarHBondContact O-CG 3.48Å; H219-L223 PolarHBondContact O-N 3.07Å; F220-L223 PolarHBondContact O-N 3.09Å; L221-L223 PolarHBondContact O-N 3.24Å; L223-G225 PolarHBondContact O-N 2.93Å; L223-L226 HydrophobicContact CD2-CD1 3.86Å; L223-L226 PolarHBondContact O-N 2.82Å; L223-L226 VanDerWaalsContact O-N 3.13Å
224Q56.3Low54.2Low129 Ų129103.2 Ų103.260%0.60356%0.559SS**Hα-helixtrans-61.8-30.1169.7-77.9173.52.700111.6F220 L221 L226F220-Q224 WeakPolarHBondContact O-CB 3.48Å; F220-Q224 VanDerWaalsContact O-CG 3.25Å; F220-Q224 WeakPolarHBondContact O-CG 3.19Å; F220-Q224 PolarHBondContact O-N 2.84Å; L221-Q224 PolarHBondContact O-N 2.62Å; Q224-L226 PolarHBondContact O-N 2.75Å; Q224-L226 VanDerWaalsContact O-N 3.15Å
225G54Low53.6Low23 Ų23104.4 Ų104.424%0.23756%0.563CS.*THydrogen-bonded Turntrans-7111.2171.300000116.1L221 A222 L223 T232L221-G225 PolarHBondContact O-N 3.09Å; A222-G225 PolarHBondContact O-N 3.04Å; L223-G225 PolarHBondContact O-N 2.93Å; G225-T232 VanDerWaalsContact O-CB 3.22Å; G225-T232 WeakPolarHBondContact O-CB 3.46Å; G225-T232 VanDerWaalsContact O-CG2 3.23Å; G225-T232 WeakPolarHBondContact O-CG2 3.49Å
226L52.8Low53.1Low99 Ų99107.3 Ų107.352%0.51857%0.573SS.*THydrogen-bonded Turntrans-116.86.1177.7-61.9177.2000114.3L223 Q224 P228L223-L226 HydrophobicContact CD2-CD1 3.86Å; L223-L226 PolarHBondContact O-N 2.82Å; L223-L226 VanDerWaalsContact O-N 3.13Å; Q224-L226 PolarHBondContact O-N 2.75Å; Q224-L226 VanDerWaalsContact O-N 3.15Å; L226-P228 VanDerWaalsContact O-CD 3.31Å; L226-P228 WeakPolarHBondContact O-CD 3.44Å
227N48.1Very low52.6Low72 Ų72107.7 Ų107.739%0.38557%0.567SS.*  trans-86.3110.9-179.6-170.6-40.2000111.8S229 R230 T232N227-S229 PolarHBondContact O-N 3.29Å; N227-S229 PolarHBondContact OD1-N 2.89Å; N227-R230 HydrophobicContact CB-CB 4.43Å; N227-R230 PolarHBondContact O-N 3.04Å; N227-R230 VanDerWaalsContact O-N 3.08Å; N227-T232 VanDerWaalsContact O-CG2 3.31Å; N227-T232 WeakPolarHBondContact O-CG2 3.4Å
228P51.6Low52.9Low128 Ų128101.8 Ų101.883%0.83154%0.543SS*.THydrogen-bonded Turntrans-64-16.7-175.7-20.333.6000114.4L226L226-P228 VanDerWaalsContact O-CD 3.31Å; L226-P228 WeakPolarHBondContact O-CD 3.44Å
229S52.2Low53.6Low112 Ų112106.4 Ų106.478%0.78356%0.556SS**THydrogen-bonded Turntrans-99.53.3-179.2-53.10000113.7N227N227-S229 PolarHBondContact O-N 3.29Å; N227-S229 PolarHBondContact OD1-N 2.89Å
230R50.2Low54.7Low198 Ų198109.7 Ų109.775%0.74757%0.571SS**SBendtrans-133.795.9171.1-69.8-172.6179.6-132.90.6109.3N227 T232N227-R230 HydrophobicContact CB-CB 4.43Å; N227-R230 PolarHBondContact O-N 3.04Å; N227-R230 VanDerWaalsContact O-N 3.08Å; R230-T232 VanDerWaalsContact O-CG2 3.28Å; R230-T232 WeakPolarHBondContact O-CG2 3.31Å; R230-T232 PolarHBondContact O-N 2.85Å
231H45.2Very low55.8Low179 Ų179106.7 Ų106.783%0.82956%0.559SS**  trans-8.992.2171.4-95.8-107.2000114.1S233H231-S233 PolarHBondContact O-N 3.34Å
232T44.7Very low56.5Low72 Ų72105.5 Ų105.544%0.44255%0.553SS.*  trans-84.551.5-178.361.60000110.4G225 N227 R230 A234G225-T232 VanDerWaalsContact O-CB 3.22Å; G225-T232 WeakPolarHBondContact O-CB 3.46Å; G225-T232 VanDerWaalsContact O-CG2 3.23Å; G225-T232 WeakPolarHBondContact O-CG2 3.49Å; N227-T232 VanDerWaalsContact O-CG2 3.31Å; N227-T232 WeakPolarHBondContact O-CG2 3.4Å; R230-T232 VanDerWaalsContact O-CG2 3.28Å; R230-T232 WeakPolarHBondContact O-CG2 3.31Å; R230-T232 PolarHBondContact O-N 2.85Å; T232-A234 VanDerWaalsContact C-N 3.26Å
233S46.5Very low57.6Low59 Ų59106.2 Ų106.241%0.41355%0.55SS..  trans-81.1-3.8173.144.80000112.9H231 V235 R236 E237H231-S233 PolarHBondContact O-N 3.34Å; S233-V235 PolarHBondContact O-N 3.37Å; S233-R236 CarbonylContact O-C 3.4Å; S233-R236 PolarHBondContact O-N 2.93Å; S233-E237 PolarHBondContact O-N 3.24Å
234A51.9Low58.7Low74 Ų74107.3 Ų107.361%0.61255%0.553SS**THydrogen-bonded Turntrans-61.73.5-169.500000117.9T232T232-A234 VanDerWaalsContact C-N 3.26Å
235V50.3Low59.6Low127 Ų127104.6 Ų104.677%0.7754%0.542SS*.THydrogen-bonded Turntrans-121.6-5.7173.6-171.10000111.3S233S233-V235 PolarHBondContact O-N 3.37Å
236R48.7Very low60.7Low196 Ų196109.8 Ų109.874%0.7456%0.56SS**  trans-144.845.3-175.4-149.5-176.3104.6140.89.1111.4S233 S238S233-R236 CarbonylContact O-C 3.4Å; S233-R236 PolarHBondContact O-N 2.93Å; R236-S238 VanDerWaalsContact C-N 3.34Å; R236-S238 PolarHBondContact O-N 3.08Å
237E51.6Low61.9Low107 Ų107111.7 Ų111.750%0.557%0.571SS.*  trans-45.3110144.6-64.7177.8164.600105.3S233 E241 L242S233-E237 PolarHBondContact O-N 3.24Å; E237-E241 WeakPolarHBondContact CA-OE2 3.28Å; E237-L242 HydrophobicContact CB-CG 4.35Å
238S62.9Low63.2Low31 Ų31118.2 Ų118.222%0.21759%0.59CS.*  trans-64.6154.3-176.5670000108.2R236 E240 E241 L242R236-S238 VanDerWaalsContact C-N 3.34Å; R236-S238 PolarHBondContact O-N 3.08Å; S238-E240 PolarHBondContact O-N 2.92Å; S238-E241 WeakPolarHBondContact O-CA 3.22Å; S238-E241 PolarHBondContact O-N 3.38Å; S238-E241 PolarHBondContact OG-N 3.49Å; S238-L242 PolarHBondContact O-N 3.48Å
239Y76.5Confident64.1Low174 Ų174117.5 Ų117.568%0.68258%0.578SS**Hα-helixtrans-50.8-33.6171.4172.5-97.2000111.2L242 L243Y239-L242 PolarHBondContact O-N 3.2Å; Y239-L243 HydrophobicContact CD1-CD1 4.14Å; Y239-L243 HydrophobicContact CD1-CD2 4.42Å; Y239-L243 HydrophobicContact CD2-CD1 4.08Å; Y239-L243 HydrophobicContact CE1-CD1 3.7Å; Y239-L243 HydrophobicContact CE1-CD2 3.7Å; Y239-L243 HydrophobicContact CE1-CG 4.36Å; Y239-L243 HydrophobicContact CE2-CD1 3.64Å; Y239-L243 HydrophobicContact CG-CD1 4.32Å; Y239-L243 VanDerWaalsContact CZ-CD1 3.43Å; Y239-L243 WeakPolarHBondContact O-CD1 3.3Å; Y239-L243 PolarHBondContact O-N 2.94Å
240E80.6Confident64.7Low130 Ų130114.1 Ų114.161%0.60756%0.561SS**Hα-helixtrans-66.8-41173-54.7175.5143.900113.6S238 L242 L243 Q244S238-E240 PolarHBondContact O-N 2.92Å; E240-L242 VanDerWaalsContact C-N 3.33Å; E240-L243 PolarHBondContact O-N 2.75Å; E240-Q244 WeakPolarHBondContact O-CB 3.48Å; E240-Q244 VanDerWaalsContact O-CD 3.31Å; E240-Q244 WeakPolarHBondContact O-CG 3.23Å; E240-Q244 PolarHBondContact O-N 2.79Å; E240-Q244 PolarHBondContact O-NE2 2.85Å
241E76.8Confident65.3Low87 Ų87112.1 Ų112.141%0.40757%0.566SS.*Hα-helixtrans-65-37173.3-76.4178.7171.500111.4E237 S238 Q244 L245E237-E241 WeakPolarHBondContact CA-OE2 3.28Å; S238-E241 WeakPolarHBondContact O-CA 3.22Å; S238-E241 PolarHBondContact O-N 3.38Å; S238-E241 PolarHBondContact OG-N 3.49Å; E241-Q244 PolarHBondContact O-N 3.39Å; E241-L245 WeakPolarHBondContact O-CB 3.49Å; E241-L245 WeakPolarHBondContact O-CG 3.46Å; E241-L245 PolarHBondContact O-N 2.91Å
242L74.6Confident66.3Low85 Ų85106.8 Ų106.845%0.44555%0.545SS..Hα-helixtrans-66-41.6173.8-71.5172.5000112.3E237 S238 Y239 E240 L245 E246E237-L242 HydrophobicContact CB-CG 4.35Å; S238-L242 PolarHBondContact O-N 3.48Å; Y239-L242 PolarHBondContact O-N 3.2Å; E240-L242 VanDerWaalsContact C-N 3.33Å; L242-L245 HydrophobicContact CD2-CD1 4.49Å; L242-L245 WeakPolarHBondContact O-CB 3.44Å; L242-L245 PolarHBondContact O-N 3.46Å; L242-E246 PolarHBondContact O-N 2.84Å
243L77.4Confident67.2Low66 Ų66108.5 Ų108.535%0.34656%0.556SS.*Hα-helixtrans-63.9-44.2172.4-98.863.5000111.7Y239 E240 L245 E246 D247Y239-L243 HydrophobicContact CD1-CD1 4.14Å; Y239-L243 HydrophobicContact CD1-CD2 4.42Å; Y239-L243 HydrophobicContact CD2-CD1 4.08Å; Y239-L243 HydrophobicContact CE1-CD1 3.7Å; Y239-L243 HydrophobicContact CE1-CD2 3.7Å; Y239-L243 HydrophobicContact CE1-CG 4.36Å; Y239-L243 HydrophobicContact CE2-CD1 3.64Å; Y239-L243 HydrophobicContact CG-CD1 4.32Å; Y239-L243 VanDerWaalsContact CZ-CD1 3.43Å; Y239-L243 WeakPolarHBondContact O-CD1 3.3Å; Y239-L243 PolarHBondContact O-N 2.94Å; E240-L243 PolarHBondContact O-N 2.75Å; L243-L245 PolarHBondContact O-N 2.83Å; L243-E246 WeakPolarHBondContact O-CB 3.32Å; L243-E246 PolarHBondContact O-N 2.9Å; L243-E246 VanDerWaalsContact O-N 3.09Å; L243-D247 PolarHBondContact O-N 3.5Å
244Q81Confident68.9Low106 Ų106113.7 Ų113.750%0.49557%0.566SS.*Hα-helixtrans-64.1-29.5175.7-70.6161.635.800112.2E240 E241 R248E240-Q244 WeakPolarHBondContact O-CB 3.48Å; E240-Q244 VanDerWaalsContact O-CD 3.31Å; E240-Q244 WeakPolarHBondContact O-CG 3.23Å; E240-Q244 PolarHBondContact O-N 2.79Å; E240-Q244 PolarHBondContact O-NE2 2.85Å; E241-Q244 PolarHBondContact O-N 3.39Å; Q244-R248 WeakPolarHBondContact O-CB 3.42Å; Q244-R248 WeakPolarHBondContact O-CD 3.47Å; Q244-R248 WeakPolarHBondContact O-CG 3.35Å; Q244-R248 PolarHBondContact O-N 3.18Å
245L75Confident70.7Confident72 Ų72111 Ų11138%0.37755%0.546SS..Hα-helixtrans-71.8-39.8171.1-75.5167.2000111.6E241 L242 L243 R248 L249E241-L245 WeakPolarHBondContact O-CB 3.49Å; E241-L245 WeakPolarHBondContact O-CG 3.46Å; E241-L245 PolarHBondContact O-N 2.91Å; L242-L245 HydrophobicContact CD2-CD1 4.49Å; L242-L245 WeakPolarHBondContact O-CB 3.44Å; L242-L245 PolarHBondContact O-N 3.46Å; L243-L245 PolarHBondContact O-N 2.83Å; L245-R248 PolarHBondContact O-N 3.26Å; L245-L249 VanDerWaalsContact O-CB 3.22Å; L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 WeakPolarHBondContact O-CD1 3.5Å; L245-L249 WeakPolarHBondContact O-CG 3.49Å; L245-L249 PolarHBondContact O-N 2.98Å
246E77Confident72.6Confident132 Ų132105.4 Ų105.462%0.61751%0.513SS*.Hα-helixtrans-61.3-49.6172.9-174.9166.4-152.400111.4L242 L243 R248 L249 G250L242-E246 PolarHBondContact O-N 2.84Å; L243-E246 WeakPolarHBondContact O-CB 3.32Å; L243-E246 PolarHBondContact O-N 2.9Å; L243-E246 VanDerWaalsContact O-N 3.09Å; E246-R248 PolarHBondContact O-N 3.29Å; E246-L249 PolarHBondContact O-N 3.32Å; E246-G250 WeakPolarHBondContact O-CA 3.49Å; E246-G250 PolarHBondContact O-N 3.49Å
247D77.5Confident74.7Confident138 Ų138101 Ų10174%0.73851%0.508SS*.Hα-helixtrans-60.2-40.6176.4-78.7-27.4000112.7L243L243-D247 PolarHBondContact O-N 3.5Å
248R75.6Confident76.7Confident209 Ų209100 Ų10079%0.78950%0.503SS*.Hα-helixtrans-77.2-30.1-178.8-75.4177.566.9-157.8-0.9113.9Q244 L245 E246Q244-R248 WeakPolarHBondContact O-CB 3.42Å; Q244-R248 WeakPolarHBondContact O-CD 3.47Å; Q244-R248 WeakPolarHBondContact O-CG 3.35Å; Q244-R248 PolarHBondContact O-N 3.18Å; L245-R248 PolarHBondContact O-N 3.26Å; E246-R248 PolarHBondContact O-N 3.29Å
249L71Confident78.2Confident113 Ų113102.7 Ų102.759%0.59252%0.515SS*.Hα-helixtrans-82.6-31.3174.7-69.5169000111L245 E246 V252L245-L249 VanDerWaalsContact O-CB 3.22Å; L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 WeakPolarHBondContact O-CD1 3.5Å; L245-L249 WeakPolarHBondContact O-CG 3.49Å; L245-L249 PolarHBondContact O-N 2.98Å; E246-L249 PolarHBondContact O-N 3.32Å; L249-V252 HydrophobicContact CB-CG2 4.03Å; L249-V252 WeakPolarHBondContact O-CG2 3.48Å
250G64.1Low79.1Confident41 Ų4195.3 Ų95.342%0.42349%0.488SS..  trans61.7-172.5-168.700000112.6E246 V252E246-G250 WeakPolarHBondContact O-CA 3.49Å; E246-G250 PolarHBondContact O-N 3.49Å; G250-V252 PolarHBondContact O-N 3.47Å
251N63.6Low79.8Confident157 Ų15789.1 Ų89.184%0.8446%0.459SS*.  trans-67.582.2168.2-79.794.7000110.7T253N251-T253 VanDerWaalsContact C-N 3.28Å; N251-T253 PolarHBondContact O-N 3.36Å
252V65Low80.7Confident67 Ų6789.9 Ų89.941%0.40646%0.462SS..  trans-69.486.8171.5-170.30000109.2L249 G250 R254L249-V252 HydrophobicContact CB-CG2 4.03Å; L249-V252 WeakPolarHBondContact O-CG2 3.48Å; G250-V252 PolarHBondContact O-N 3.47Å; V252-R254 HydrophobicContact CG1-CG 3.89Å; V252-R254 PolarHBondContact O-N 3.06Å
253T64.2Low81.6Confident107 Ų10793.9 Ų93.966%0.65647%0.472SS*.  trans-65.493.3171.743.70000109.7N251 G255N251-T253 VanDerWaalsContact C-N 3.28Å; N251-T253 PolarHBondContact O-N 3.36Å; T253-G255 PolarHBondContact O-N 3.01Å; T253-G255 VanDerWaalsContact O-N 3.08Å
254R82.2Confident82.4Confident169 Ų16994 Ų9464%0.63847%0.47SS*.BIsolated β-bridgetrans-82.334174.1-64.1-175.4174.982.4-4.6111.6V252 M327 S328 K329V252-R254 HydrophobicContact CG1-CG 3.89Å; V252-R254 PolarHBondContact O-N 3.06Å; R254-M327 CarbonylContact C-O 3.51Å; R254-M327 PolarHBondContact N-O 3Å; R254-S328 WeakPolarHBondContact O-CA 3.13Å; R254-K329 WeakPolarHBondContact O-CG 3.23Å; R254-K329 PolarHBondContact O-N 3.24Å
255G89.6Confident83.1Confident18 Ų1889.8 Ų89.819%0.18645%0.451CS..PPolyproline II helixtrans-84173.8-179.200000113.3T253 L325 M327 K329T253-G255 PolarHBondContact O-N 3.01Å; T253-G255 VanDerWaalsContact O-N 3.08Å; G255-L325 CarbonylContact C-O 3.58Å; G255-L325 WeakPolarHBondContact CA-O 3.16Å; G255-M327 PolarHBondContact N-O 2.76Å; G255-K329 WeakPolarHBondContact O-CE 3.37Å
256A90.7Very high84.1Confident9 Ų992.8 Ų92.87%0.07446%0.461CS..PPolyproline II helixtrans-96.6144.2166.700000110.2T260 I261 L325 K329 I338A256-T260 HydrophobicContact CB-CG2 3.72Å; A256-I261 HydrophobicContact CB-CD1 4.4Å; A256-I261 HydrophobicContact CB-CG1 3.6Å; A256-L325 PolarHBondContact N-O 3.17Å; A256-K329 HydrophobicContact CB-CG 3.95Å; A256-I338 HydrophobicContact CB-CD1 3.91Å
257V92.4Very high85Confident103 Ų10389.1 Ų89.162%0.62445%0.449SS*.PPolyproline II helixtrans-67.7150.4162.7-650000109.5N259 T260 I261V257-N259 VanDerWaalsContact C-N 3.26Å; V257-N259 PolarHBondContact O-N 2.99Å; V257-N259 VanDerWaalsContact O-N 3.1Å; V257-T260 WeakPolarHBondContact CG2-OG1 3.45Å; V257-T260 WeakPolarHBondContact O-CA 3.41Å; V257-T260 VanDerWaalsContact O-CB 3.27Å; V257-T260 WeakPolarHBondContact O-CB 3.39Å; V257-T260 PolarHBondContact O-N 2.8Å; V257-I261 PolarHBondContact O-N 2.73Å; V257-I261 VanDerWaalsContact O-N 3.08Å
258Q93.9Very high85.9Confident85 Ų8585 Ų8540%0.39743%0.425SS..Hα-helixtrans-50.2-42.7-174.3-174.863.318.500113.8T260 I261 E262 D322Q258-T260 VanDerWaalsContact C-N 3.29Å; Q258-T260 PolarHBondContact O-N 2.94Å; Q258-I261 WeakPolarHBondContact O-CA 3.49Å; Q258-I261 WeakPolarHBondContact O-CB 3.43Å; Q258-I261 PolarHBondContact O-N 2.97Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.44Å; Q258-E262 PolarHBondContact NE2-OE1 3.22Å; Q258-E262 WeakPolarHBondContact O-CG 3.49Å; Q258-E262 PolarHBondContact O-N 2.84Å; Q258-D322 PolarHBondContact NE2-OD2 3.38Å
259N94.3Very high86.9Confident88 Ų8880.6 Ų80.647%0.47141%0.411SS..Hα-helixtrans-65.5-28.6178.2-172.1-24.3000112.9V257 R263V257-N259 VanDerWaalsContact C-N 3.26Å; V257-N259 PolarHBondContact O-N 2.99Å; V257-N259 VanDerWaalsContact O-N 3.1Å; N259-R263 PolarHBondContact ND2-NH2 2.93Å; N259-R263 WeakPolarHBondContact O-CB 3.21Å; N259-R263 WeakPolarHBondContact O-CG 3.13Å; N259-R263 PolarHBondContact O-N 3.37Å; N259-R263 VanDerWaalsContact O-N 3.15Å; N259-R263 PolarHBondContact O-NE 2.89Å; N259-R263 VanDerWaalsContact OD1-CZ 3.25Å; N259-R263 PolarHBondContact OD1-NE 3.43Å; N259-R263 PolarHBondContact OD1-NH2 3.43Å
260T94Very high88.1Confident19 Ų1975.8 Ų75.812%0.11739%0.386CS..Hα-helixtrans-71.5-44.2169.1-66.40000110.4A256 V257 Q258 E262 R263 F264 E339A256-T260 HydrophobicContact CB-CG2 3.72Å; V257-T260 WeakPolarHBondContact CG2-OG1 3.45Å; V257-T260 WeakPolarHBondContact O-CA 3.41Å; V257-T260 VanDerWaalsContact O-CB 3.27Å; V257-T260 WeakPolarHBondContact O-CB 3.39Å; V257-T260 PolarHBondContact O-N 2.8Å; Q258-T260 VanDerWaalsContact C-N 3.29Å; Q258-T260 PolarHBondContact O-N 2.94Å; T260-E262 VanDerWaalsContact C-N 3.32Å; T260-E262 PolarHBondContact O-N 3.47Å; T260-R263 PolarHBondContact O-N 3.09Å; T260-F264 HydrophobicContact CG2-CD2 3.73Å; T260-F264 HydrophobicContact CG2-CE2 4.1Å; T260-F264 WeakPolarHBondContact O-CD2 3.21Å; T260-F264 PolarHBondContact O-N 3.13Å; T260-F264 VanDerWaalsContact O-N 3.08Å; T260-E339 HydrophobicContact CG2-CG 4.27Å; T260-E339 WeakPolarHBondContact CG2-OE1 3.23Å
261I95.6Very high89.4Confident1 Ų182.1 Ų82.11%0.00540%0.401CS..Hα-helixtrans-55.7-49.7175.9-57.5173.5000109.9A256 V257 Q258 R263 F264 T265 L325 I338A256-I261 HydrophobicContact CB-CD1 4.4Å; A256-I261 HydrophobicContact CB-CG1 3.6Å; V257-I261 PolarHBondContact O-N 2.73Å; V257-I261 VanDerWaalsContact O-N 3.08Å; Q258-I261 WeakPolarHBondContact O-CA 3.49Å; Q258-I261 WeakPolarHBondContact O-CB 3.43Å; Q258-I261 PolarHBondContact O-N 2.97Å; I261-R263 VanDerWaalsContact C-N 3.34Å; I261-R263 PolarHBondContact O-N 2.85Å; I261-F264 PolarHBondContact O-N 2.96Å; I261-T265 HydrophobicContact CG2-CG2 4.37Å; I261-T265 WeakPolarHBondContact O-CB 3.19Å; I261-T265 WeakPolarHBondContact O-CG2 3.31Å; I261-T265 PolarHBondContact O-N 3.34Å; I261-T265 VanDerWaalsContact O-N 3.09Å; I261-T265 PolarHBondContact O-OG1 3.39Å; I261-L325 HydrophobicContact CD1-CB 3.64Å; I261-L325 HydrophobicContact CG1-CB 3.95Å; I261-L325 HydrophobicContact CG1-CD1 4.45Å; I261-L325 HydrophobicContact CG2-CD1 3.75Å; I261-I338 HydrophobicContact CG1-CD1 4.44Å
262E95.4Very high90.6Very high102 Ų10277.3 Ų77.348%0.47737%0.373SS..Hα-helixtrans-64.1-32.6179.8-72.5167-173.300114Q258 T260Q258-E262 WeakPolarHBondContact CG-OE1 3.44Å; Q258-E262 PolarHBondContact NE2-OE1 3.22Å; Q258-E262 WeakPolarHBondContact O-CG 3.49Å; Q258-E262 PolarHBondContact O-N 2.84Å; T260-E262 VanDerWaalsContact C-N 3.32Å; T260-E262 PolarHBondContact O-N 3.47Å
263R94.6Very high91.5Very high170 Ų17085.1 Ų85.164%0.64240%0.395SS*.Hα-helixtrans-73.2-33.7175.9-84.9-177.4-101.5172.1-11.7114N259 T260 I261N259-R263 PolarHBondContact ND2-NH2 2.93Å; N259-R263 WeakPolarHBondContact O-CB 3.21Å; N259-R263 WeakPolarHBondContact O-CG 3.13Å; N259-R263 PolarHBondContact O-N 3.37Å; N259-R263 VanDerWaalsContact O-N 3.15Å; N259-R263 PolarHBondContact O-NE 2.89Å; N259-R263 VanDerWaalsContact OD1-CZ 3.25Å; N259-R263 PolarHBondContact OD1-NE 3.43Å; N259-R263 PolarHBondContact OD1-NH2 3.43Å; T260-R263 PolarHBondContact O-N 3.09Å; I261-R263 VanDerWaalsContact C-N 3.34Å; I261-R263 PolarHBondContact O-N 2.85Å
264F94.4Very high92Very high69 Ų6988.5 Ų88.530%0.30340%0.396SS..Hα-helixtrans-106.45.2-171-74.8-75.2000114.1T260 I261 P311 I338 E339T260-F264 HydrophobicContact CG2-CD2 3.73Å; T260-F264 HydrophobicContact CG2-CE2 4.1Å; T260-F264 WeakPolarHBondContact O-CD2 3.21Å; T260-F264 PolarHBondContact O-N 3.13Å; T260-F264 VanDerWaalsContact O-N 3.08Å; I261-F264 PolarHBondContact O-N 2.96Å; F264-P311 VanDerWaalsContact O-CD 3.28Å; F264-P311 WeakPolarHBondContact O-CD 3.17Å; F264-P311 WeakPolarHBondContact O-CG 3.44Å; F264-I338 HydrophobicContact CB-CB 4.27Å; F264-I338 HydrophobicContact CB-CD1 4.45Å; F264-I338 HydrophobicContact CB-CG1 4.35Å; F264-I338 WeakPolarHBondContact CB-O 3.4Å; F264-I338 WeakPolarHBondContact CD1-O 3.22Å; F264-E339 HydrophobicContact CD2-CG 4Å; F264-E339 HydrophobicContact CE1-CB 4.48Å; F264-E339 HydrophobicContact CE2-CG 3.93Å; F264-E339 HydrophobicContact CG-CG 4.36Å; F264-E339 HydrophobicContact CZ-CB 4.46Å; F264-E339 HydrophobicContact CZ-CG 4.22Å
265T94.9Very high91.4Very high16 Ų1686.2 Ų86.210%0.09840%0.403CS..SBendtrans-140.9163.6-179.468.20000111.2I261 P267 R308 L310 L325 I338I261-T265 HydrophobicContact CG2-CG2 4.37Å; I261-T265 WeakPolarHBondContact O-CB 3.19Å; I261-T265 WeakPolarHBondContact O-CG2 3.31Å; I261-T265 PolarHBondContact O-N 3.34Å; I261-T265 VanDerWaalsContact O-N 3.09Å; I261-T265 PolarHBondContact O-OG1 3.39Å; T265-P267 WeakPolarHBondContact O-CD 3.12Å; T265-R308 WeakPolarHBondContact OG1-CD 3.34Å; T265-R308 WeakPolarHBondContact OG1-CG 3.11Å; T265-R308 PolarHBondContact OG1-NH1 3.43Å; T265-L310 HydrophobicContact CG2-CD1 4.15Å; T265-L310 HydrophobicContact CG2-CG 4.12Å; T265-L325 HydrophobicContact CG2-CD1 4.25Å; T265-I338 HydrophobicContact CG2-CB 4.36Å; T265-I338 HydrophobicContact CG2-CG2 4.1Å
266F95.6Very high90.2Very high136 Ų13694.3 Ų94.360%0.59644%0.436SS*.EExtended strand (participates in β ladder)trans-114.994.8-174.5-171.7-104.4000112.2H268 R308 R309F266-H268 HydrophobicContact CD1-CB 4.22Å; F266-H268 AromaticContact CD1-ND1 3.59Å; F266-H268 HydrophobicContact CE1-CB 3.74Å; F266-H268 AromaticContact CE1-CG 3.82Å; F266-H268 AromaticContact CE1-ND1 3.89Å; F266-H268 HydrophobicContact CZ-CB 4.46Å; F266-H268 PolarHBondContact O-ND1 3.27Å; F266-R308 WeakPolarHBondContact O-CA 3.49Å; F266-R309 PolarHBondContact N-O 3.45Å; F266-R309 PolarHBondContact O-N 2.74Å
267P96.7Very high88.6Confident55 Ų55102 Ų10236%0.35748%0.476SS..EExtended strand (participates in β ladder)trans-74.4135.3171.531.5-31.8000110.4T265 V307T265-P267 WeakPolarHBondContact O-CD 3.12Å; P267-V307 CarbonylContact C-O 3.5Å; P267-V307 WeakPolarHBondContact CA-O 3.47Å
268H96.2Very high86.9Confident52 Ų52100.3 Ų100.324%0.24148%0.48CS..EExtended strand (participates in β ladder)trans-158.6169.8177.462.3-66000111.3F266 V307 L315F266-H268 HydrophobicContact CD1-CB 4.22Å; F266-H268 AromaticContact CD1-ND1 3.59Å; F266-H268 HydrophobicContact CE1-CB 3.74Å; F266-H268 AromaticContact CE1-CG 3.82Å; F266-H268 AromaticContact CE1-ND1 3.89Å; F266-H268 HydrophobicContact CZ-CB 4.46Å; F266-H268 PolarHBondContact O-ND1 3.27Å; H268-V307 PolarHBondContact N-O 2.75Å; H268-V307 VanDerWaalsContact O-CG2 3.27Å; H268-V307 WeakPolarHBondContact O-CG2 3.21Å; H268-V307 PolarHBondContact O-N 3.48Å; H268-L315 VanDerWaalsContact CE1-CD1 3.5Å; H268-L315 WeakPolarHBondContact CE1-CD1 3.49Å
269K96.4Very high84.8Confident115 Ų115107 Ų10750%0.551%0.507SS..EExtended strand (participates in β ladder)trans-80129.5170.9-68.9-66.3-171.8-177.90110.6G304 E305 D306K269-G304 VanDerWaalsContact CD-O 3.24Å; K269-G304 WeakPolarHBondContact CD-O 3.37Å; K269-G304 PolarHBondContact NZ-O 3.35Å; K269-G304 VanDerWaalsContact NZ-O 3.13Å; K269-E305 WeakPolarHBondContact CA-O 3.39Å; K269-D306 WeakPolarHBondContact CD-OD1 3.46Å; K269-D306 WeakPolarHBondContact CE-OD1 3.29Å; K269-D306 IonicContact NZ-OD1 3.63Å; K269-D306 PolarHBondContact NZ-OD1 3.19Å; K269-D306 IonicContact NZ-OD2 2.62Å; K269-D306 PolarHBondContact NZ-OD2 2.81Å
270Y95.6Very high82.8Confident13 Ų13106 Ų1065%0.05152%0.518CS..  trans-66.6144.3176.3-175.9-113.7000110.5K272 E292 L301 E302 G304 E305 V307 L315Y270-K272 HydrophobicContact CE1-CB 4.03Å; Y270-E292 HydrophobicContact CE2-CB 4.26Å; Y270-E292 HydrophobicContact CE2-CG 4.47Å; Y270-L301 HydrophobicContact CD1-CB 3.83Å; Y270-L301 HydrophobicContact CD2-CB 4.35Å; Y270-L301 HydrophobicContact CD2-CD1 4.36Å; Y270-L301 HydrophobicContact CE1-CB 3.75Å; Y270-L301 WeakPolarHBondContact CE1-O 3.32Å; Y270-L301 HydrophobicContact CE2-CB 4.29Å; Y270-L301 HydrophobicContact CE2-CD1 4.29Å; Y270-L301 HydrophobicContact CG-CB 4.12Å; Y270-E302 WeakPolarHBondContact CD1-O 3.28Å; Y270-G304 PolarHBondContact O-N 3.35Å; Y270-E305 PolarHBondContact N-O 2.96Å; Y270-V307 HydrophobicContact CD2-CG2 4.43Å; Y270-V307 HydrophobicContact CG-CG1 4.49Å; Y270-L315 HydrophobicContact CD2-CD2 3.73Å; Y270-L315 HydrophobicContact CE2-CD2 3.92Å
271K92.6Very high80.9Confident173 Ų173114.9 Ų114.975%0.75256%0.555SS**  trans-142.6106.8174.4-174.5167.2-176.2169.10109.6R273 D303K271-R273 PolarHBondContact O-N 3.31Å; K271-D303 WeakPolarHBondContact CA-OD1 3.49Å
272K87.6Confident78.6Confident56 Ų56123.9 Ų123.924%0.24359%0.594CS.*  trans-58.1128.6177.1-171.1168.9-176.2168.20109.3Y270 R274 D291 D303Y270-K272 HydrophobicContact CE1-CB 4.03Å; K272-R274 PolarHBondContact O-N 2.98Å; K272-D291 WeakPolarHBondContact CE-OD1 3.47Å; K272-D291 IonicContact NZ-OD1 3.7Å; K272-D291 PolarHBondContact NZ-OD1 3.32Å; K272-D291 IonicContact NZ-OD2 3.76Å; K272-D291 PolarHBondContact NZ-OD2 2.79Å; K272-D303 WeakPolarHBondContact CB-OD1 3.13Å; K272-D303 PolarHBondContact N-OD1 3.38Å
273R84Confident76.6Confident232 Ų232126.9 Ų126.988%0.87561%0.614SS**  trans-69.796.2175.8-77.6-175158.6-160-5.7109.7K271 P275K271-R273 PolarHBondContact O-N 3.31Å; R273-P275 WeakPolarHBondContact O-CD 3.38Å
274R74.5Confident74.4Confident177 Ų177127.2 Ų127.267%0.66862%0.622SS**PPolyproline II helixtrans-64.3123.8167.8-57.1-63.8171.3156.2-4.9108.4K272 Q276 D303K272-R274 PolarHBondContact O-N 2.98Å; R274-Q276 PolarHBondContact O-N 3.39Å; R274-D303 IonicContact CZ-OD2 2.74Å; R274-D303 IonicContact NE-OD2 3.46Å; R274-D303 IonicContact NH2-OD2 3.2Å; R274-D303 PolarHBondContact NH2-OD2 2.9Å
275P71.1Confident72Confident122 Ų122127.5 Ų127.579%0.79265%0.645SS**PPolyproline II helixtrans-59124.9170.6-21.933.5000109.2R273R273-P275 WeakPolarHBondContact O-CD 3.38Å
276Q64.2Low69.9Low188 Ų188136 Ų13688%0.87968%0.683SS**PPolyproline II helixtrans-67.8143.6171.9-85.1-174.8-29.800110.1R274 G278R274-Q276 PolarHBondContact O-N 3.39Å; Q276-G278 VanDerWaalsContact C-N 3.35Å; Q276-G278 PolarHBondContact O-N 2.88Å
277D57Low67.5Low169 Ų169137.1 Ų137.190%0.90469%0.691SS**  trans-48.680.1-166.7-60.1-93.1000116.5K279D277-K279 PolarHBondContact O-N 3.05Å
278G55.8Low65Low69 Ų69137.2 Ų137.271%0.71169%0.693SS**  trans-83.9102.4161.400000109.6Q276 G280Q276-G278 VanDerWaalsContact C-N 3.35Å; Q276-G278 PolarHBondContact O-N 2.88Å; G278-G280 VanDerWaalsContact C-N 3.28Å; G278-G280 PolarHBondContact O-N 3.09Å
279K51.3Low62.8Low224 Ų224142.4 Ų142.497%0.97472%0.722SS**  trans-56.280177.9-177.1179174.5177.90112.7D277D277-K279 PolarHBondContact O-N 3.05Å
280G52.4Low60.9Low67 Ų67141.8 Ų141.869%0.69173%0.728SS**  trans-122.3143.6176.300000110.5G278G278-G280 VanDerWaalsContact C-N 3.28Å; G278-G280 PolarHBondContact O-N 3.09Å
281K53.5Low59.5Low207 Ų207143.2 Ų143.290%0.974%0.737SS**  trans-66.9147.3-175.2-69.3174.9175.5177.90111.1D283K281-D283 PolarHBondContact O-N 2.96Å
282K47.6Very low59.2Low190 Ų190138.8 Ų138.883%0.82672%0.719SS**  trans-53.5123.3159.9-70.2-179.5171.2-171.10108.9
283D53.1Low59.4Low165 Ų165142.3 Ų142.388%0.88273%0.734SS**  trans-120142.5147.2-133.1-32.5000106.7K281K281-D283 PolarHBondContact O-N 2.96Å
284E47.5Very low60Low176 Ų176131.2 Ų131.282%0.82269%0.692SS**SBendtrans-102107.1-165.7-60.7178.6155.900109.1
285G45.5Very low61Low76 Ų76125.8 Ų125.878%0.78468%0.679SS**  trans158.2-0.7171.400000121.7
286E49.3Very low62.2Low193 Ų193122.8 Ų122.890%0.90266%0.655SS**  trans-113.7104.7171.6-82.1-174.9151.900111.2S288E286-S288 PolarHBondContact O-N 3.33Å
287E45Very low63.7Low160 Ų160116.3 Ų116.375%0.74863%0.63SS**  trans-59.6115.3161.1-177.6174.1-165.700107.5D289E287-D289 PolarHBondContact O-N 2.86Å
288S45.2Very low65.5Low57 Ų57115 Ų11540%0.39962%0.622SS.*  trans-66.8111.1-164.256.40000111.8E286 T290 D291E286-S288 PolarHBondContact O-N 3.33Å; S288-T290 WeakPolarHBondContact CB-OG1 3.03Å; S288-T290 PolarHBondContact O-N 3.42Å; S288-T290 PolarHBondContact OG-OG1 2.84Å; S288-D291 PolarHBondContact O-N 3.29Å; S288-D291 PolarHBondContact OG-OD1 2.95Å
289D49.9Very low67.4Low161 Ų161114.7 Ų114.786%0.86161%0.609SS**THydrogen-bonded Turntrans-62.714.5173.4-158.831000113.6E287 D291E287-D289 PolarHBondContact O-N 2.86Å; D289-D291 VanDerWaalsContact C-N 3.33Å
290T57.1Low69.4Low103 Ų103108.5 Ų108.563%0.63259%0.585SS**THydrogen-bonded Turntrans-85.9-2.8170.657.90000113.5S288 E292S288-T290 WeakPolarHBondContact CB-OG1 3.03Å; S288-T290 PolarHBondContact O-N 3.42Å; S288-T290 PolarHBondContact OG-OG1 2.84Å; T290-E292 PolarHBondContact O-N 3.41Å
291D65.9Low71.3Confident43 Ų43105.8 Ų105.823%0.2356%0.555CS.*  trans-83.1102.1-173.3-75.317.5000110.5K272 S288 D289 K293K272-D291 WeakPolarHBondContact CE-OD1 3.47Å; K272-D291 IonicContact NZ-OD1 3.7Å; K272-D291 PolarHBondContact NZ-OD1 3.32Å; K272-D291 IonicContact NZ-OD2 3.76Å; K272-D291 PolarHBondContact NZ-OD2 2.79Å; S288-D291 PolarHBondContact O-N 3.29Å; S288-D291 PolarHBondContact OG-OD1 2.95Å; D289-D291 VanDerWaalsContact C-N 3.33Å; D291-K293 PolarHBondContact O-N 3.39Å
292E84.8Confident73.2Confident79 Ų79102.2 Ų102.237%0.36954%0.541SS..  trans-57.6127.4175.4-59.4-175-158.500109.5Y270 T290 L301 R309 L315Y270-E292 HydrophobicContact CE2-CB 4.26Å; Y270-E292 HydrophobicContact CE2-CG 4.47Å; T290-E292 PolarHBondContact O-N 3.41Å; E292-L301 HydrophobicContact CB-CD1 3.92Å; E292-L301 VanDerWaalsContact O-CB 3.26Å; E292-L301 WeakPolarHBondContact O-CB 3.37Å; E292-L301 VanDerWaalsContact O-CG 3.32Å; E292-L301 WeakPolarHBondContact O-CG 3.2Å; E292-L301 PolarHBondContact O-N 2.99Å; E292-R309 IonicContact OE2-NH2 3.21Å; E292-L315 WeakPolarHBondContact OE2-CD2 3.24Å
293K93.3Very high75.3Confident130 Ų13096.9 Ų96.957%0.56552%0.522SS*.BIsolated β-bridgetrans-119.6142.2-179.768.9-167.4170.9-149.40111.4D291 T295 S299D291-K293 PolarHBondContact O-N 3.39Å; K293-T295 PolarHBondContact O-N 2.98Å; K293-S299 CarbonylContact C-O 3.32Å; K293-S299 WeakPolarHBondContact CA-O 3.42Å; K293-S299 WeakPolarHBondContact CB-O 3.27Å
294C96.3Very high77.3Confident0 Ų091 Ų910%050%0.5CS..  trans-75.2111.7175.8-179.40000109.8I296 C297 L298 S299 L301 H317C294-I296 PolarHBondContact O-N 3.33Å; C294-C297 VanDerWaalsContact CB-SG 3.53Å; C294-C297 VanDerWaalsContact SG-SG 3.6Å; C294-L298 VanDerWaalsContact O-CA 3.23Å; C294-L298 WeakPolarHBondContact O-CA 3.37Å; C294-L298 PolarHBondContact O-N 2.89Å; C294-S299 PolarHBondContact N-O 3.04Å; C294-L301 HydrophobicContact CB-CD2 3.86Å; C294-H317 WeakPolarHBondContact CB-ND1 3.47Å; C294-H317 PolarHBondContact SG-N 3.47Å; C294-H317 PolarHBondContact SG-ND1 2.76Å
295T94.9Very high79.6Confident62 Ų6285.5 Ų85.538%0.3847%0.474SS..THydrogen-bonded Turntrans-73.64.3-176.675.40000114.4K293 F316 I333K293-T295 PolarHBondContact O-N 2.98Å; T295-F316 WeakPolarHBondContact OG1-CE1 3.37Å; T295-I333 HydrophobicContact CG2-CD1 3.92Å; T295-I333 HydrophobicContact CG2-CG1 4.48Å
296I96Very high82Confident59 Ų5985.6 Ų85.630%0.30346%0.457SS..THydrogen-bonded Turntrans-96-49.3178.9-57.5172.1000110.3C294 F316 C320 V321 W324 P332C294-I296 PolarHBondContact O-N 3.33Å; I296-F316 HydrophobicContact CD1-CB 4.24Å; I296-F316 HydrophobicContact CD1-CD1 3.74Å; I296-F316 HydrophobicContact CD1-CE1 4.37Å; I296-F316 HydrophobicContact CD1-CG 4.08Å; I296-F316 HydrophobicContact CG1-CD1 3.86Å; I296-F316 HydrophobicContact CG1-CE1 4.3Å; I296-C320 HydrophobicContact CB-CB 3.89Å; I296-C320 HydrophobicContact CD1-CB 4.03Å; I296-C320 HydrophobicContact CG2-CB 3.84Å; I296-V321 HydrophobicContact CD1-CB 3.88Å; I296-V321 HydrophobicContact CD1-CG2 4.26Å; I296-W324 HydrophobicContact CD1-CB 4.44Å; I296-P332 HydrophobicContact CD1-CG 4.07Å; I296-P332 HydrophobicContact CG1-CG 4.25Å
297C96.6Very high84.3Confident52 Ų5276.4 Ų76.435%0.35141%0.414SS..THydrogen-bonded Turntrans-94.5-7.8174.862.10000113.7C294 S299 H317C294-C297 VanDerWaalsContact CB-SG 3.53Å; C294-C297 VanDerWaalsContact SG-SG 3.6Å; C297-S299 PolarHBondContact O-N 3.06Å; C297-H317 PolarHBondContact SG-ND1 3.27Å
298L94.7Very high86.8Confident141 Ų14168.8 Ų68.874%0.73838%0.378SS*.  trans62.912.3-176.6-51.3178.3000115C294C294-L298 VanDerWaalsContact O-CA 3.23Å; C294-L298 WeakPolarHBondContact O-CA 3.37Å; C294-L298 PolarHBondContact O-N 2.89Å
299S94.6Very high89.2Confident63 Ų6369 Ų6944%0.44137%0.371SS..PPolyproline II helixtrans-87.9153.5175.3-48.20000112.2K293 C294 C297K293-S299 CarbonylContact C-O 3.32Å; K293-S299 WeakPolarHBondContact CA-O 3.42Å; K293-S299 WeakPolarHBondContact CB-O 3.27Å; C294-S299 PolarHBondContact N-O 3.04Å; C297-S299 PolarHBondContact O-N 3.06Å
300M93.5Very high91.4Very high94 Ų9461.6 Ų61.646%0.46333%0.331SS..BIsolated β-bridgetrans-65.1154.8170.9-62.8179.6-17800110.7
301L94.1Very high93.2Very high10 Ų1058.6 Ų58.65%0.05231%0.313CS..PPolyproline II helixtrans-91.4126.4171.5-60177.9000110.1Y270 E292 C294 E305 V307 L315 H317Y270-L301 HydrophobicContact CD1-CB 3.83Å; Y270-L301 HydrophobicContact CD2-CB 4.35Å; Y270-L301 HydrophobicContact CD2-CD1 4.36Å; Y270-L301 HydrophobicContact CE1-CB 3.75Å; Y270-L301 WeakPolarHBondContact CE1-O 3.32Å; Y270-L301 HydrophobicContact CE2-CB 4.29Å; Y270-L301 HydrophobicContact CE2-CD1 4.29Å; Y270-L301 HydrophobicContact CG-CB 4.12Å; E292-L301 HydrophobicContact CB-CD1 3.92Å; E292-L301 VanDerWaalsContact O-CB 3.26Å; E292-L301 WeakPolarHBondContact O-CB 3.37Å; E292-L301 VanDerWaalsContact O-CG 3.32Å; E292-L301 WeakPolarHBondContact O-CG 3.2Å; E292-L301 PolarHBondContact O-N 2.99Å; C294-L301 HydrophobicContact CB-CD2 3.86Å; L301-E305 WeakPolarHBondContact CA-OE2 3.49Å; L301-V307 HydrophobicContact CD1-CG1 4.23Å; L301-V307 HydrophobicContact CD2-CG1 3.84Å; L301-L315 HydrophobicContact CD1-CD2 3.52Å; L301-L315 HydrophobicContact CD1-CG 4Å; L301-H317 WeakPolarHBondContact CD2-NE2 3.47Å
302E92.4Very high94.6Very high133 Ų13357.5 Ų57.562%0.62131%0.309SS*.  trans-105149.5-176.8-63.2-169.5-175.200113.4Y270 G304 E305Y270-E302 WeakPolarHBondContact CD1-O 3.28Å; E302-G304 PolarHBondContact O-N 3.49Å; E302-G304 VanDerWaalsContact O-N 3.11Å; E302-E305 HydrophobicContact CB-CG 3.96Å; E302-E305 PolarHBondContact N-OE2 2.95Å; E302-E305 WeakPolarHBondContact O-CB 3.43Å; E302-E305 WeakPolarHBondContact O-CG 3.42Å; E302-E305 PolarHBondContact O-N 3.14Å; E302-E305 VanDerWaalsContact O-N 3.08Å
303D92.7Very high95Very high77 Ų7759.8 Ų59.841%0.41232%0.321SS..THydrogen-bonded Turntrans-55.4115-179.9-87.5-47.8000111.4K271 K272 R274K271-D303 WeakPolarHBondContact CA-OD1 3.49Å; K272-D303 WeakPolarHBondContact CB-OD1 3.13Å; K272-D303 PolarHBondContact N-OD1 3.38Å; R274-D303 IonicContact CZ-OD2 2.74Å; R274-D303 IonicContact NE-OD2 3.46Å; R274-D303 IonicContact NH2-OD2 3.2Å; R274-D303 PolarHBondContact NH2-OD2 2.9Å
304G93.2Very high95.1Very high42 Ų4256.3 Ų56.343%0.43331%0.307SS..THydrogen-bonded Turntrans96.20.9-18000000116.1K269 Y270 E302K269-G304 VanDerWaalsContact CD-O 3.24Å; K269-G304 WeakPolarHBondContact CD-O 3.37Å; K269-G304 PolarHBondContact NZ-O 3.35Å; K269-G304 VanDerWaalsContact NZ-O 3.13Å; Y270-G304 PolarHBondContact O-N 3.35Å; E302-G304 PolarHBondContact O-N 3.49Å; E302-G304 VanDerWaalsContact O-N 3.11Å
305E96.1Very high95.1Very high60 Ų6057 Ų5728%0.2831%0.311SS..  trans-69152.5170.2-69.3-171.2127.400112.6K269 Y270 L301 E302 V307 H317K269-E305 WeakPolarHBondContact CA-O 3.39Å; Y270-E305 PolarHBondContact N-O 2.96Å; L301-E305 WeakPolarHBondContact CA-OE2 3.49Å; E302-E305 HydrophobicContact CB-CG 3.96Å; E302-E305 PolarHBondContact N-OE2 2.95Å; E302-E305 WeakPolarHBondContact O-CB 3.43Å; E302-E305 WeakPolarHBondContact O-CG 3.42Å; E302-E305 PolarHBondContact O-N 3.14Å; E302-E305 VanDerWaalsContact O-N 3.08Å; E305-V307 PolarHBondContact O-N 3.39Å; E305-H317 IonicContact OE1-CD2 2.8Å; E305-H317 IonicContact OE1-NE2 3.88Å; E305-H317 PolarHBondContact OE1-NE2 3.26Å; E305-H317 IonicContact OE2-CD2 2.6Å; E305-H317 PolarHBondContact OE2-CD2 3.02Å; E305-H317 IonicContact OE2-CE1 3.91Å; E305-H317 IonicContact OE2-NE2 2.76Å; E305-H317 PolarHBondContact OE2-NE2 2.85Å
306D97.5Very high95.2Very high78 Ų7854.1 Ų54.142%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-79.5114172.9-68.1-61.1000110.4K269 Q318K269-D306 WeakPolarHBondContact CD-OD1 3.46Å; K269-D306 WeakPolarHBondContact CE-OD1 3.29Å; K269-D306 IonicContact NZ-OD1 3.63Å; K269-D306 PolarHBondContact NZ-OD1 3.19Å; K269-D306 IonicContact NZ-OD2 2.62Å; K269-D306 PolarHBondContact NZ-OD2 2.81Å; D306-Q318 HydrophobicContact CB-CB 4.11Å; D306-Q318 PolarHBondContact O-N 3.31Å
307V97.2Very high95.3Very high0 Ų052.3 Ų52.30%028%0.283CS..EExtended strand (participates in β ladder)trans-124.3149.8-178.9-670000110.9P267 H268 Y270 L301 E305 L315 F316P267-V307 CarbonylContact C-O 3.5Å; P267-V307 WeakPolarHBondContact CA-O 3.47Å; H268-V307 PolarHBondContact N-O 2.75Å; H268-V307 VanDerWaalsContact O-CG2 3.27Å; H268-V307 WeakPolarHBondContact O-CG2 3.21Å; H268-V307 PolarHBondContact O-N 3.48Å; Y270-V307 HydrophobicContact CD2-CG2 4.43Å; Y270-V307 HydrophobicContact CG-CG1 4.49Å; L301-V307 HydrophobicContact CD1-CG1 4.23Å; L301-V307 HydrophobicContact CD2-CG1 3.84Å; E305-V307 PolarHBondContact O-N 3.39Å; V307-L315 HydrophobicContact CB-CD1 3.88Å; V307-L315 HydrophobicContact CB-CD2 4.34Å; V307-L315 HydrophobicContact CB-CG 4.13Å; V307-L315 HydrophobicContact CG2-CD1 3.89Å; V307-L315 HydrophobicContact CG2-CD2 4.24Å; V307-L315 HydrophobicContact CG2-CG 4.4Å; V307-F316 CarbonylContact C-O 3.59Å; V307-F316 WeakPolarHBondContact CA-O 3.36Å; V307-F316 WeakPolarHBondContact CB-O 3.46Å
308R97.1Very high95.3Very high0 Ų052.1 Ų52.10%028%0.277CS..EExtended strand (participates in β ladder)trans-124.2125.6178.3-177.9-172.8-66.3-77.89.7109.8T265 F266 L310 F316 Q318 V321 D322T265-R308 WeakPolarHBondContact OG1-CD 3.34Å; T265-R308 WeakPolarHBondContact OG1-CG 3.11Å; T265-R308 PolarHBondContact OG1-NH1 3.43Å; F266-R308 WeakPolarHBondContact O-CA 3.49Å; R308-L310 HydrophobicContact CG-CD1 4.46Å; R308-F316 PolarHBondContact N-O 3.11Å; R308-F316 PolarHBondContact O-N 2.95Å; R308-Q318 HydrophobicContact CB-CB 4.35Å; R308-Q318 HydrophobicContact CB-CG 4.47Å; R308-V321 HydrophobicContact CB-CG1 3.81Å; R308-V321 HydrophobicContact CG-CG1 4.25Å; R308-D322 WeakPolarHBondContact CD-OD1 3.43Å; R308-D322 IonicContact CZ-OD1 2.79Å; R308-D322 IonicContact CZ-OD2 2.71Å; R308-D322 IonicContact NE-OD1 3.09Å; R308-D322 PolarHBondContact NE-OD1 2.88Å; R308-D322 IonicContact NE-OD2 3.85Å; R308-D322 IonicContact NH2-OD1 2.68Å; R308-D322 PolarHBondContact NH2-OD1 3.08Å; R308-D322 VanDerWaalsContact NH2-OD1 3.09Å; R308-D322 IonicContact NH2-OD2 3.11Å; R308-D322 PolarHBondContact NH2-OD2 3.13Å
309R96.3Very high95.4Very high62 Ų6252.3 Ų52.323%0.23428%0.278CS..EExtended strand (participates in β ladder)trans-94.3130.8173.4-162170.2-65.8-90.81.3109.3F266 E292 M313 H314 L315F266-R309 PolarHBondContact N-O 3.45Å; F266-R309 PolarHBondContact O-N 2.74Å; E292-R309 IonicContact OE2-NH2 3.21Å; R309-M313 WeakPolarHBondContact CG-O 3.27Å; R309-M313 PolarHBondContact NH1-O 2.71Å; R309-H314 WeakPolarHBondContact CA-O 3.21Å; R309-L315 HydrophobicContact CB-CD1 3.87Å; R309-L315 HydrophobicContact CG-CD1 4.39Å
310L96Very high95.6Very high6 Ų650.5 Ų50.53%0.03127%0.265CS..  trans-85.1164.8174.6-88.460000110.3T265 R308 C312 M313 H314 F316 V321 L325 C331 I338T265-L310 HydrophobicContact CG2-CD1 4.15Å; T265-L310 HydrophobicContact CG2-CG 4.12Å; R308-L310 HydrophobicContact CG-CD1 4.46Å; L310-C312 PolarHBondContact O-N 2.78Å; L310-C312 VanDerWaalsContact O-N 3.11Å; L310-M313 WeakPolarHBondContact O-CA 3.31Å; L310-M313 PolarHBondContact O-N 2.74Å; L310-H314 PolarHBondContact N-O 3.46Å; L310-F316 HydrophobicContact CD1-CD2 4.17Å; L310-F316 HydrophobicContact CD1-CE2 4.29Å; L310-F316 HydrophobicContact CD2-CE2 4.32Å; L310-V321 HydrophobicContact CD1-CG2 3.83Å; L310-V321 HydrophobicContact CD2-CG2 4.5Å; L310-L325 HydrophobicContact CD1-CD1 4.37Å; L310-C331 HydrophobicContact CD2-CB 3.77Å; L310-I338 HydrophobicContact CD2-CG2 3.82Å; L310-I338 HydrophobicContact CG-CG2 3.87Å
311P94.3Very high95.8Very high40 Ų4046 Ų4626%0.2624%0.243SC..THydrogen-bonded Turntrans-53.9-32175.6-27.635.9000113.1F264 M313 L342F264-P311 VanDerWaalsContact O-CD 3.28Å; F264-P311 WeakPolarHBondContact O-CD 3.17Å; F264-P311 WeakPolarHBondContact O-CG 3.44Å; P311-M313 PolarHBondContact O-N 2.87Å; P311-M313 VanDerWaalsContact O-N 3.08Å; P311-L342 HydrophobicContact CB-CD1 4.38Å
312C95.2Very high95.9Very high20 Ų2046.4 Ų46.414%0.13525%0.245CC..THydrogen-bonded Turntrans-76.819.7175.562.20000114.4L310 H314 C331 C334 V336 L342L310-C312 PolarHBondContact O-N 2.78Å; L310-C312 VanDerWaalsContact O-N 3.11Å; C312-H314 PolarHBondContact O-N 3.46Å; C312-H314 PolarHBondContact O-ND1 3.2Å; C312-H314 PolarHBondContact SG-ND1 3.29Å; C312-H314 VanDerWaalsContact SG-ND1 3.38Å; C312-C331 PolarHBondContact SG-SG 2.9Å; C312-C334 WeakPolarHBondContact CB-SG 3.36Å; C312-V336 HydrophobicContact CB-CB 4.33Å; C312-L342 HydrophobicContact CB-CD1 3.69Å
313M93.6Very high96Very high127 Ų12747 Ų4763%0.62625%0.247SC*.SBendtrans60.2-6.6178.1-61.4-60.9-72.900117.2R309 L310 P311R309-M313 WeakPolarHBondContact CG-O 3.27Å; R309-M313 PolarHBondContact NH1-O 2.71Å; L310-M313 WeakPolarHBondContact O-CA 3.31Å; L310-M313 PolarHBondContact O-N 2.74Å; P311-M313 PolarHBondContact O-N 2.87Å; P311-M313 VanDerWaalsContact O-N 3.08Å
314H95.5Very high96.2Very high57 Ų5748.2 Ų48.226%0.26425%0.247SC..  trans-63.5142.1172.4-6597.2000112.1R309 L310 C312 F316 I333R309-H314 WeakPolarHBondContact CA-O 3.21Å; L310-H314 PolarHBondContact N-O 3.46Å; C312-H314 PolarHBondContact O-N 3.46Å; C312-H314 PolarHBondContact O-ND1 3.2Å; C312-H314 PolarHBondContact SG-ND1 3.29Å; C312-H314 VanDerWaalsContact SG-ND1 3.38Å; H314-F316 HydrophobicContact CB-CE2 3.68Å; H314-F316 HydrophobicContact CB-CZ 3.84Å; H314-I333 HydrophobicContact CB-CD1 4.21Å; H314-I333 VanDerWaalsContact CD2-CD1 3.44Å; H314-I333 WeakPolarHBondContact CD2-CD1 3.4Å; H314-I333 WeakPolarHBondContact NE2-CG2 3.41Å
315L95.5Very high96.3Very high15 Ų1546.2 Ų46.28%0.07923%0.226CC..EExtended strand (participates in β ladder)trans-117.7141.1-176.4-168.672.1000111.3H268 Y270 E292 L301 V307 R309H268-L315 VanDerWaalsContact CE1-CD1 3.5Å; H268-L315 WeakPolarHBondContact CE1-CD1 3.49Å; Y270-L315 HydrophobicContact CD2-CD2 3.73Å; Y270-L315 HydrophobicContact CE2-CD2 3.92Å; E292-L315 WeakPolarHBondContact OE2-CD2 3.24Å; L301-L315 HydrophobicContact CD1-CD2 3.52Å; L301-L315 HydrophobicContact CD1-CG 4Å; V307-L315 HydrophobicContact CB-CD1 3.88Å; V307-L315 HydrophobicContact CB-CD2 4.34Å; V307-L315 HydrophobicContact CB-CG 4.13Å; V307-L315 HydrophobicContact CG2-CD1 3.89Å; V307-L315 HydrophobicContact CG2-CD2 4.24Å; V307-L315 HydrophobicContact CG2-CG 4.4Å; R309-L315 HydrophobicContact CB-CD1 3.87Å; R309-L315 HydrophobicContact CG-CD1 4.39Å
316F97.7Very high96.2Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-147.2162.8178.3-49.5-88.8000109.7T295 I296 V307 R308 L310 H314 Q318 V321 P332 I333T295-F316 WeakPolarHBondContact OG1-CE1 3.37Å; I296-F316 HydrophobicContact CD1-CB 4.24Å; I296-F316 HydrophobicContact CD1-CD1 3.74Å; I296-F316 HydrophobicContact CD1-CE1 4.37Å; I296-F316 HydrophobicContact CD1-CG 4.08Å; I296-F316 HydrophobicContact CG1-CD1 3.86Å; I296-F316 HydrophobicContact CG1-CE1 4.3Å; V307-F316 CarbonylContact C-O 3.59Å; V307-F316 WeakPolarHBondContact CA-O 3.36Å; V307-F316 WeakPolarHBondContact CB-O 3.46Å; R308-F316 PolarHBondContact N-O 3.11Å; R308-F316 PolarHBondContact O-N 2.95Å; L310-F316 HydrophobicContact CD1-CD2 4.17Å; L310-F316 HydrophobicContact CD1-CE2 4.29Å; L310-F316 HydrophobicContact CD2-CE2 4.32Å; H314-F316 HydrophobicContact CB-CE2 3.68Å; H314-F316 HydrophobicContact CB-CZ 3.84Å; F316-Q318 PolarHBondContact O-N 3.28Å; F316-V321 HydrophobicContact CB-CB 3.76Å; F316-V321 HydrophobicContact CB-CG1 4.07Å; F316-V321 HydrophobicContact CB-CG2 4.38Å; F316-V321 HydrophobicContact CD2-CB 4.13Å; F316-V321 HydrophobicContact CD2-CG2 3.81Å; F316-V321 HydrophobicContact CE2-CG2 4.36Å; F316-V321 HydrophobicContact CG-CB 4.07Å; F316-V321 HydrophobicContact CG-CG2 4.16Å; F316-P332 HydrophobicContact CE1-CB 4.29Å; F316-P332 HydrophobicContact CE1-CG 4.06Å; F316-P332 HydrophobicContact CZ-CB 4.39Å; F316-P332 HydrophobicContact CZ-CG 4.04Å; F316-I333 HydrophobicContact CE1-CD1 3.69Å; F316-I333 HydrophobicContact CE1-CG1 4.02Å; F316-I333 HydrophobicContact CZ-CD1 3.64Å; F316-I333 HydrophobicContact CZ-CG1 3.93Å
317H97.9Very high96Very high22 Ų2248.7 Ų48.710%0.10225%0.246CC..EExtended strand (participates in β ladder)trans-56136.1161.8-69.2116.2000110.3C294 C297 L301 E305 L319 C320 V321C294-H317 WeakPolarHBondContact CB-ND1 3.47Å; C294-H317 PolarHBondContact SG-N 3.47Å; C294-H317 PolarHBondContact SG-ND1 2.76Å; C297-H317 PolarHBondContact SG-ND1 3.27Å; L301-H317 WeakPolarHBondContact CD2-NE2 3.47Å; E305-H317 IonicContact OE1-CD2 2.8Å; E305-H317 IonicContact OE1-NE2 3.88Å; E305-H317 PolarHBondContact OE1-NE2 3.26Å; E305-H317 IonicContact OE2-CD2 2.6Å; E305-H317 PolarHBondContact OE2-CD2 3.02Å; E305-H317 IonicContact OE2-CE1 3.91Å; E305-H317 IonicContact OE2-NE2 2.76Å; E305-H317 PolarHBondContact OE2-NE2 2.85Å; H317-L319 PolarHBondContact O-N 2.73Å; H317-C320 HydrophobicContact CB-CB 4.07Å; H317-C320 PolarHBondContact O-N 3.35Å; H317-V321 PolarHBondContact O-N 3.31Å; H317-V321 VanDerWaalsContact O-N 3.09Å
318Q97.2Very high95.8Very high47 Ų4750.2 Ų50.222%0.2226%0.257CS..Hα-helixtrans-56.3-48.6-176.9179.7176.9-29.200111.5D306 R308 F316 C320 V321 D322D306-Q318 HydrophobicContact CB-CB 4.11Å; D306-Q318 PolarHBondContact O-N 3.31Å; R308-Q318 HydrophobicContact CB-CB 4.35Å; R308-Q318 HydrophobicContact CB-CG 4.47Å; F316-Q318 PolarHBondContact O-N 3.28Å; Q318-C320 PolarHBondContact O-N 3.03Å; Q318-V321 PolarHBondContact O-N 2.86Å; Q318-D322 VanDerWaalsContact O-CB 3.28Å; Q318-D322 WeakPolarHBondContact O-CB 3.39Å; Q318-D322 PolarHBondContact O-N 3.39Å
319L96.9Very high95.6Very high145 Ų14552.7 Ų52.776%0.75927%0.267SS*.Hα-helixtrans-60.3-44.3179.6-64.4176.7000112.5H317 Q323H317-L319 PolarHBondContact O-N 2.73Å; L319-Q323 PolarHBondContact O-N 3.13Å; L319-Q323 VanDerWaalsContact O-N 3.13Å
320C97.8Very high95.5Very high26 Ų2654.6 Ų54.618%0.17628%0.277CS..Hα-helixtrans-65.3-42-177.6-61.80000112.1I296 H317 Q318 W324I296-C320 HydrophobicContact CB-CB 3.89Å; I296-C320 HydrophobicContact CD1-CB 4.03Å; I296-C320 HydrophobicContact CG2-CB 3.84Å; H317-C320 HydrophobicContact CB-CB 4.07Å; H317-C320 PolarHBondContact O-N 3.35Å; Q318-C320 PolarHBondContact O-N 3.03Å; C320-W324 PolarHBondContact O-N 2.91Å
321V97.1Very high95.5Very high0 Ų054.3 Ų54.30%028%0.276CS..Hα-helixtrans-82-27.8-179.8740000112.9I296 R308 L310 F316 H317 Q318 W324 L325I296-V321 HydrophobicContact CD1-CB 3.88Å; I296-V321 HydrophobicContact CD1-CG2 4.26Å; R308-V321 HydrophobicContact CB-CG1 3.81Å; R308-V321 HydrophobicContact CG-CG1 4.25Å; L310-V321 HydrophobicContact CD1-CG2 3.83Å; L310-V321 HydrophobicContact CD2-CG2 4.5Å; F316-V321 HydrophobicContact CB-CB 3.76Å; F316-V321 HydrophobicContact CB-CG1 4.07Å; F316-V321 HydrophobicContact CB-CG2 4.38Å; F316-V321 HydrophobicContact CD2-CB 4.13Å; F316-V321 HydrophobicContact CD2-CG2 3.81Å; F316-V321 HydrophobicContact CE2-CG2 4.36Å; F316-V321 HydrophobicContact CG-CB 4.07Å; F316-V321 HydrophobicContact CG-CG2 4.16Å; H317-V321 PolarHBondContact O-N 3.31Å; H317-V321 VanDerWaalsContact O-N 3.09Å; Q318-V321 PolarHBondContact O-N 2.86Å; V321-W324 PolarHBondContact O-N 3.04Å; V321-L325 HydrophobicContact CG2-CD1 3.97Å; V321-L325 HydrophobicContact CG2-CG 4.05Å; V321-L325 VanDerWaalsContact O-CB 3.31Å; V321-L325 WeakPolarHBondContact O-CB 2.96Å; V321-L325 VanDerWaalsContact O-CG 3.23Å; V321-L325 WeakPolarHBondContact O-CG 3.32Å; V321-L325 PolarHBondContact O-N 2.98Å
322D96.4Very high95.5Very high17 Ų1754 Ų549%0.09127%0.274CS..Hα-helixtrans-64.7-42.5172.8-74.95.7000110.6Q258 R308 Q318 W324 L325 A326Q258-D322 PolarHBondContact NE2-OD2 3.38Å; R308-D322 WeakPolarHBondContact CD-OD1 3.43Å; R308-D322 IonicContact CZ-OD1 2.79Å; R308-D322 IonicContact CZ-OD2 2.71Å; R308-D322 IonicContact NE-OD1 3.09Å; R308-D322 PolarHBondContact NE-OD1 2.88Å; R308-D322 IonicContact NE-OD2 3.85Å; R308-D322 IonicContact NH2-OD1 2.68Å; R308-D322 PolarHBondContact NH2-OD1 3.08Å; R308-D322 VanDerWaalsContact NH2-OD1 3.09Å; R308-D322 IonicContact NH2-OD2 3.11Å; R308-D322 PolarHBondContact NH2-OD2 3.13Å; Q318-D322 VanDerWaalsContact O-CB 3.28Å; Q318-D322 WeakPolarHBondContact O-CB 3.39Å; Q318-D322 PolarHBondContact O-N 3.39Å; D322-W324 VanDerWaalsContact C-N 3.34Å; D322-W324 PolarHBondContact O-N 3.03Å; D322-L325 PolarHBondContact O-N 2.92Å; D322-A326 WeakPolarHBondContact O-CB 3.46Å; D322-A326 PolarHBondContact O-N 3.46Å
323Q95.8Very high95.5Very high145 Ų14556.9 Ų56.968%0.67829%0.287SS*.Hα-helixtrans-60.9-41.8173.7-171.7177.625.200112.3L319L319-Q323 PolarHBondContact O-N 3.13Å; L319-Q323 VanDerWaalsContact O-N 3.13Å
324W96.1Very high95.5Very high104 Ų10453.2 Ų53.239%0.39427%0.273SS..Hα-helixtrans-65.8-46.2175.5175.4-87.1000112.3I296 C320 V321 D322 A326 M327 S328 K330 P332I296-W324 HydrophobicContact CD1-CB 4.44Å; C320-W324 PolarHBondContact O-N 2.91Å; V321-W324 PolarHBondContact O-N 3.04Å; D322-W324 VanDerWaalsContact C-N 3.34Å; D322-W324 PolarHBondContact O-N 3.03Å; W324-A326 VanDerWaalsContact C-N 3.28Å; W324-A326 PolarHBondContact O-N 3.06Å; W324-M327 PolarHBondContact O-N 3.09Å; W324-S328 PolarHBondContact O-N 2.6Å; W324-K330 PolarHBondContact NE1-O 3.21Å; W324-P332 HydrophobicContact CD2-CG 4Å; W324-P332 HydrophobicContact CG-CG 3.94Å; W324-P332 HydrophobicContact CZ2-CB 4.44Å; W324-P332 HydrophobicContact CZ2-CG 4.48Å
325L96.2Very high95.4Very high0 Ų059.9 Ų59.90%030%0.296CS..Hα-helixtrans-69-25.8-177.4-70.7175.5000112.8G255 A256 I261 T265 L310 V321 D322 M327 S328 I338G255-L325 CarbonylContact C-O 3.58Å; G255-L325 WeakPolarHBondContact CA-O 3.16Å; A256-L325 PolarHBondContact N-O 3.17Å; I261-L325 HydrophobicContact CD1-CB 3.64Å; I261-L325 HydrophobicContact CG1-CB 3.95Å; I261-L325 HydrophobicContact CG1-CD1 4.45Å; I261-L325 HydrophobicContact CG2-CD1 3.75Å; T265-L325 HydrophobicContact CG2-CD1 4.25Å; L310-L325 HydrophobicContact CD1-CD1 4.37Å; V321-L325 HydrophobicContact CG2-CD1 3.97Å; V321-L325 HydrophobicContact CG2-CG 4.05Å; V321-L325 VanDerWaalsContact O-CB 3.31Å; V321-L325 WeakPolarHBondContact O-CB 2.96Å; V321-L325 VanDerWaalsContact O-CG 3.23Å; V321-L325 WeakPolarHBondContact O-CG 3.32Å; V321-L325 PolarHBondContact O-N 2.98Å; D322-L325 PolarHBondContact O-N 2.92Å; L325-M327 PolarHBondContact O-N 3.15Å; L325-S328 WeakPolarHBondContact CA-O 3.26Å; L325-S328 WeakPolarHBondContact CD2-O 3.15Å; L325-I338 HydrophobicContact CD1-CD1 4.26Å; L325-I338 HydrophobicContact CD1-CG2 4.17Å; L325-I338 HydrophobicContact CD2-CD1 4.25Å; L325-I338 HydrophobicContact CD2-CG2 3.71Å
326A93.8Very high95.3Very high55 Ų5561.4 Ų61.446%0.45531%0.306SS..THydrogen-bonded Turntrans-64-21.9168.700000113.3D322 W324D322-A326 WeakPolarHBondContact O-CB 3.46Å; D322-A326 PolarHBondContact O-N 3.46Å; W324-A326 VanDerWaalsContact C-N 3.28Å; W324-A326 PolarHBondContact O-N 3.06Å
327M92.1Very high95.1Very high134 Ų13463.3 Ų63.366%0.6632%0.316SS*.THydrogen-bonded Turntrans-99.6-35.6175.5-61.3176.566.500112.9R254 G255 W324 L325R254-M327 CarbonylContact C-O 3.51Å; R254-M327 PolarHBondContact N-O 3Å; G255-M327 PolarHBondContact N-O 2.76Å; W324-M327 PolarHBondContact O-N 3.09Å; L325-M327 PolarHBondContact O-N 3.15Å
328S92.9Very high94.9Very high33 Ų3362.4 Ų62.423%0.23131%0.312CS..BIsolated β-bridgetrans-149.9120.3-173.5175.30000111.8R254 W324 L325 K330R254-S328 WeakPolarHBondContact O-CA 3.13Å; W324-S328 PolarHBondContact O-N 2.6Å; L325-S328 WeakPolarHBondContact CA-O 3.26Å; L325-S328 WeakPolarHBondContact CD2-O 3.15Å; S328-K330 PolarHBondContact O-N 3.26Å
329K93.4Very high94.6Very high51 Ų5163.7 Ų63.722%0.22232%0.318CS..SBendtrans-61.90.3176.6-65.3-173.8-174-1740115.9R254 G255 A256 D337 I338 E339R254-K329 WeakPolarHBondContact O-CG 3.23Å; R254-K329 PolarHBondContact O-N 3.24Å; G255-K329 WeakPolarHBondContact O-CE 3.37Å; A256-K329 HydrophobicContact CB-CG 3.95Å; K329-D337 WeakPolarHBondContact CB-OD1 3.44Å; K329-D337 WeakPolarHBondContact O-CA 3.37Å; K329-I338 HydrophobicContact CB-CG1 4.34Å; K329-I338 PolarHBondContact O-N 2.96Å; K329-E339 HydrophobicContact CD-CG 4.43Å; K329-E339 WeakPolarHBondContact CE-OE1 3.38Å; K329-E339 IonicContact NZ-OE1 3.58Å; K329-E339 PolarHBondContact NZ-OE1 2.59Å; K329-E339 IonicContact NZ-OE2 2.74Å; K329-E339 PolarHBondContact NZ-OE2 3.04Å; K329-E339 VanDerWaalsContact NZ-OE2 3.11Å
330K94.2Very high94Very high102 Ų10259.8 Ų59.844%0.44330%0.301SS..BIsolated β-bridgetrans-102.1138.9-171.2-62.9-173.1172.9-1550112.3W324 S328 R335 V336 D337W324-K330 PolarHBondContact NE1-O 3.21Å; S328-K330 PolarHBondContact O-N 3.26Å; K330-R335 WeakPolarHBondContact CD-O 3.22Å; K330-V336 CarbonylContact C-O 3.57Å; K330-V336 WeakPolarHBondContact CA-O 3.5Å; K330-D337 HydrophobicContact CG-CB 4.46Å
331C95.6Very high92.4Very high1 Ų167.1 Ų67.11%0.00733%0.332CS..  trans-55.1132.4174.7179.10000111.7L310 C312 I333 C334 R335 V336L310-C331 HydrophobicContact CD2-CB 3.77Å; C312-C331 PolarHBondContact SG-SG 2.9Å; C331-I333 PolarHBondContact O-N 3.37Å; C331-I333 PolarHBondContact SG-N 2.91Å; C331-C334 VanDerWaalsContact SG-SG 3.68Å; C331-R335 WeakPolarHBondContact O-CA 3.41Å; C331-R335 PolarHBondContact O-N 3.35Å; C331-V336 PolarHBondContact N-O 3.45Å
332P95Very high90.6Very high34 Ų3471.5 Ų71.522%0.22136%0.355CS..THydrogen-bonded Turntrans-55.8-33.1176.6-24.830.8000114.4I296 F316 W324I296-P332 HydrophobicContact CD1-CG 4.07Å; I296-P332 HydrophobicContact CG1-CG 4.25Å; F316-P332 HydrophobicContact CE1-CB 4.29Å; F316-P332 HydrophobicContact CE1-CG 4.06Å; F316-P332 HydrophobicContact CZ-CB 4.39Å; F316-P332 HydrophobicContact CZ-CG 4.04Å; W324-P332 HydrophobicContact CD2-CG 4Å; W324-P332 HydrophobicContact CG-CG 3.94Å; W324-P332 HydrophobicContact CZ2-CB 4.44Å; W324-P332 HydrophobicContact CZ2-CG 4.48Å
333I94.3Very high88.5Confident79 Ų7972.7 Ų72.741%0.40537%0.372SS..THydrogen-bonded Turntrans-88.4-60.5-173-60.4170.4000111T295 H314 F316 C331T295-I333 HydrophobicContact CG2-CD1 3.92Å; T295-I333 HydrophobicContact CG2-CG1 4.48Å; H314-I333 HydrophobicContact CB-CD1 4.21Å; H314-I333 VanDerWaalsContact CD2-CD1 3.44Å; H314-I333 WeakPolarHBondContact CD2-CD1 3.4Å; H314-I333 WeakPolarHBondContact NE2-CG2 3.41Å; F316-I333 HydrophobicContact CE1-CD1 3.69Å; F316-I333 HydrophobicContact CE1-CG1 4.02Å; F316-I333 HydrophobicContact CZ-CD1 3.64Å; F316-I333 HydrophobicContact CZ-CG1 3.93Å; C331-I333 PolarHBondContact O-N 3.37Å; C331-I333 PolarHBondContact SG-N 2.91Å
334C95Very high86.5Confident50 Ų5071.1 Ų71.134%0.33838%0.383SS..THydrogen-bonded Turntrans-98.6-3.7-173.7660000115.3C312 C331 V336C312-C334 WeakPolarHBondContact CB-SG 3.36Å; C331-C334 VanDerWaalsContact SG-SG 3.68Å; C334-V336 HydrophobicContact CB-CG2 4.23Å; C334-V336 PolarHBondContact O-N 3.04Å; C334-V336 VanDerWaalsContact SG-CG2 3.58Å
335R93.2Very high84.1Confident198 Ų19872.8 Ų72.875%0.74740%0.4SS*.  trans5910.1-178.8-54.6179179.6-120.4-2.4116K330 C331K330-R335 WeakPolarHBondContact CD-O 3.22Å; C331-R335 WeakPolarHBondContact O-CA 3.41Å; C331-R335 PolarHBondContact O-N 3.35Å
336V92.9Very high81.4Confident47 Ų4781.6 Ų81.629%0.28546%0.461SS..  trans-66.8139.6169.4178.70000109.5C312 K330 C331 C334 T340 L342C312-V336 HydrophobicContact CB-CB 4.33Å; K330-V336 CarbonylContact C-O 3.57Å; K330-V336 WeakPolarHBondContact CA-O 3.5Å; C331-V336 PolarHBondContact N-O 3.45Å; C334-V336 HydrophobicContact CB-CG2 4.23Å; C334-V336 PolarHBondContact O-N 3.04Å; C334-V336 VanDerWaalsContact SG-CG2 3.58Å; V336-T340 WeakPolarHBondContact CG1-OG1 3.29Å; V336-L342 HydrophobicContact CG1-CD1 4.05Å; V336-L342 HydrophobicContact CG1-CG 4.38Å
337D93.1Very high80.8Confident40 Ų4083 Ų8321%0.21446%0.462CS..BIsolated β-bridgetrans-78.7138.5-179.1-160.4-61.3000111K329 K330 E339 T340K329-D337 WeakPolarHBondContact CB-OD1 3.44Å; K329-D337 WeakPolarHBondContact O-CA 3.37Å; K330-D337 HydrophobicContact CG-CB 4.46Å; D337-E339 PolarHBondContact O-N 2.95Å; D337-E339 PolarHBondContact OD1-N 3.11Å; D337-T340 HydrophobicContact CB-CG2 4.14Å; D337-T340 PolarHBondContact O-N 2.89Å; D337-T340 PolarHBondContact O-OG1 2.89Å
338I94.1Very high80.2Confident2 Ų280.3 Ų80.31%0.0145%0.451CS..THydrogen-bonded Turntrans-62.6-25.8178.364.6173.5000112.7A256 I261 F264 T265 L310 L325 K329 T340A256-I338 HydrophobicContact CB-CD1 3.91Å; I261-I338 HydrophobicContact CG1-CD1 4.44Å; F264-I338 HydrophobicContact CB-CB 4.27Å; F264-I338 HydrophobicContact CB-CD1 4.45Å; F264-I338 HydrophobicContact CB-CG1 4.35Å; F264-I338 WeakPolarHBondContact CB-O 3.4Å; F264-I338 WeakPolarHBondContact CD1-O 3.22Å; T265-I338 HydrophobicContact CG2-CB 4.36Å; T265-I338 HydrophobicContact CG2-CG2 4.1Å; L310-I338 HydrophobicContact CD2-CG2 3.82Å; L310-I338 HydrophobicContact CG-CG2 3.87Å; L325-I338 HydrophobicContact CD1-CD1 4.26Å; L325-I338 HydrophobicContact CD1-CG2 4.17Å; L325-I338 HydrophobicContact CD2-CD1 4.25Å; L325-I338 HydrophobicContact CD2-CG2 3.71Å; K329-I338 HydrophobicContact CB-CG1 4.34Å; K329-I338 PolarHBondContact O-N 2.96Å; I338-T340 VanDerWaalsContact C-N 3.25Å; I338-T340 PolarHBondContact O-N 3.25Å
339E90.9Very high79.5Confident75 Ų7582.9 Ų82.935%0.3546%0.464SS..THydrogen-bonded Turntrans-78.1-11177.2-64.7-178.918000112.5T260 F264 K329 D337 Q341T260-E339 HydrophobicContact CG2-CG 4.27Å; T260-E339 WeakPolarHBondContact CG2-OE1 3.23Å; F264-E339 HydrophobicContact CD2-CG 4Å; F264-E339 HydrophobicContact CE1-CB 4.48Å; F264-E339 HydrophobicContact CE2-CG 3.93Å; F264-E339 HydrophobicContact CG-CG 4.36Å; F264-E339 HydrophobicContact CZ-CB 4.46Å; F264-E339 HydrophobicContact CZ-CG 4.22Å; K329-E339 HydrophobicContact CD-CG 4.43Å; K329-E339 WeakPolarHBondContact CE-OE1 3.38Å; K329-E339 IonicContact NZ-OE1 3.58Å; K329-E339 PolarHBondContact NZ-OE1 2.59Å; K329-E339 IonicContact NZ-OE2 2.74Å; K329-E339 PolarHBondContact NZ-OE2 3.04Å; K329-E339 VanDerWaalsContact NZ-OE2 3.11Å; D337-E339 PolarHBondContact O-N 2.95Å; D337-E339 PolarHBondContact OD1-N 3.11Å; E339-Q341 PolarHBondContact O-N 2.88Å
340T83.6Confident78.6Confident63 Ų6384.8 Ų84.839%0.38748%0.478SS..SBendtrans-74.3115.4171.457.90000110.5V336 D337 I338 L342V336-T340 WeakPolarHBondContact CG1-OG1 3.29Å; D337-T340 HydrophobicContact CB-CG2 4.14Å; D337-T340 PolarHBondContact O-N 2.89Å; D337-T340 PolarHBondContact O-OG1 2.89Å; I338-T340 VanDerWaalsContact C-N 3.25Å; I338-T340 PolarHBondContact O-N 3.25Å; T340-L342 VanDerWaalsContact C-N 3.35Å; T340-L342 PolarHBondContact O-N 3.05Å
341Q65Low77.7Confident180 Ų18083.7 Ų83.784%0.84148%0.48SS*.  trans-67.896.1168.8-63.2-178.91800108.1E339 G343E339-Q341 PolarHBondContact O-N 2.88Å; Q341-G343 PolarHBondContact O-N 3.07Å
342L60.1Low76.5Confident92 Ų9289.2 Ų89.248%0.48251%0.512SS..  trans-71.186.4164.8-74.7172.3000108P311 C312 V336 T340P311-L342 HydrophobicContact CB-CD1 4.38Å; C312-L342 HydrophobicContact CB-CD1 3.69Å; V336-L342 HydrophobicContact CG1-CD1 4.05Å; V336-L342 HydrophobicContact CG1-CG 4.38Å; T340-L342 VanDerWaalsContact C-N 3.35Å; T340-L342 PolarHBondContact O-N 3.05Å
343G50.6Low75.1Confident42 Ų4293.1 Ų93.143%0.43353%0.532SS..  trans-55.3140.1162.400000109.4Q341 D345Q341-G343 PolarHBondContact O-N 3.07Å; G343-D345 WeakPolarHBondContact CA-OD1 3.39Å; G343-D345 PolarHBondContact O-N 3.45Å
344A54.8Low73.7Confident111 Ų11194.2 Ų94.292%0.91754%0.542SS*.SBendtrans-79.929.2-178.100000112.5
345D45.8Very low71.9Confident139 Ų13997.9 Ų97.974%0.74356%0.559SS**  trans-131.829.5-16456.5-60.1000113.3G343G343-D345 WeakPolarHBondContact CA-OD1 3.39Å; G343-D345 PolarHBondContact O-N 3.45Å
346S38.8Very low70Confident186 Ų18688.8 Ų88.8100%1.30154%0.542SS*.  trans-132.80162.7-67.20000111.1

Retrieved 346 of 346 residues in 292.5 ms (Link to these results)