A0A3Q0KDG7_SCHMA Loading...

Ccr4 not-related

AlphaFold DB , UniProt , Accession A0A3Q0KDG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 749 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.2Very low33.2Very low231 Ų231130.8 Ų130.8100%1.13877%0.773SS**  01210-68.561.6172.400105.9
2A33.3Very low33.3Very low101 Ų101132.4 Ų132.484%0.83578%0.775SS**  cis71.9129.349.400000111.8
3G36.1Very low33.1Very low64 Ų64135.8 Ų135.866%0.6678%0.778SS**  cis-140.9161.2-1.300000111.1
4I32.8Very low33.3Very low175 Ų175134.6 Ų134.690%0.89778%0.782SS**  72.6121.667.8-64.2171.7000113
5G36.5Very low33.5Very low65 Ų65134.6 Ų134.667%0.6779%0.785SS**  trans152.282.917800000110.7
6Q35.9Very low33.6Very low151 Ų151133.3 Ų133.371%0.70678%0.782SS**  65.4107.793.8-61.8-81.1-15.800111.4
7R28.6Very low33Very low185 Ų185139.6 Ų139.670%0.69879%0.79SS**  68.9141.179.3-76.7174.3169.5-153.84.3111.9
8F31Very low33Very low145 Ų145140.1 Ų140.164%0.63679%0.79SS**  cis-165159.814.1-115.8-38.9000109.4
9T31.3Very low32.8Very low125 Ų125138.5 Ų138.577%0.76778%0.783SS**  trans55.8154.4148540000120.2
10S30.5Very low32.5Very low104 Ų104140.3 Ų140.373%0.72779%0.785SS**  cis-171.7161.5-4.638.70000109.2
11A32Very low32.5Very low93 Ų93140 Ų14077%0.76979%0.787SS**  trans67.5150.2169.500000115.9
12D34.8Very low32.1Very low150 Ų150137.2 Ų137.280%0.80277%0.771SS**  cis-144.8170.6-2-132.8-35.9000112.5
13H30.5Very low32Very low176 Ų176142.6 Ų142.682%0.81577%0.771SS**  trans-73.9148.5178.4-74.4-94.5000113.3
14S35.1Very low31.9Very low119 Ų119146.4 Ų146.483%0.83278%0.776SS**  trans-157.5107.2154.4-830000112.4
15V36.3Very low31.8Very low135 Ų135146.2 Ų146.282%0.81877%0.774SS**  trans-102.2134.2154.5173.50000106.9
16P35.8Very low31.6Very low114 Ų114146.5 Ų146.574%0.7478%0.777SS**  trans-121.3115.115832.2-19.3000111.5
17W23.1Very low31.5Very low241 Ų241151.1 Ų151.191%0.91379%0.788SS**  trans-62.8138.5133.6-77.734.6000107.1
18N32.9Very low31.6Very low148 Ų148146.8 Ų146.879%0.79179%0.792SS**  -154.6139.1127-147-6.5000114.2
19T30.5Very low31.8Very low109 Ų109148.4 Ų148.467%0.66980%0.803SS**  trans-60.9167.6157.615.60000113.7
20Q25Very low32.1Very low174 Ų174147.5 Ų147.581%0.81380%0.797SS**  trans73.9101.7145.2-171.6173.2-1.800119.2
21T33.5Very low32.2Very low134 Ų134149.8 Ų149.882%0.82280%0.796SS**  trans-143.2115139.92.90000110.3
22Q28.2Very low32.3Very low174 Ų174151.2 Ų151.281%0.81379%0.791SS**  trans-76.4119.7162.9-74.1-177.4-10.600108.9
23Y31.4Very low32.2Very low213 Ų213153.6 Ų153.684%0.83579%0.79SS**  trans-164.8129.6145.3-70.4-61.9000104.1
24N35Very low32.3Very low144 Ų144152.1 Ų152.177%0.7779%0.788SS**  -151.8158.751.3-161.818.9000114
25M30.8Very low32.1Very low171 Ų171156.3 Ų156.384%0.84279%0.791SS**  trans-57154.2-169.1-54164.6-170.100118.5
26G31.9Very low32Very low71 Ų71155.5 Ų155.573%0.73279%0.789SS**  trans139.4115.9133.100000119.4
27R34Very low31.9Very low249 Ų249156.5 Ų156.594%0.9479%0.793SS**  trans60.3108.9169.2-60.5-177.6175.8-168-2.3115.6
28A31Very low32.3Very low94 Ų94150.6 Ų150.678%0.77778%0.783SS**  cis70.9114.318.400000116.6
29M34.4Very low32.1Very low179 Ų179148.6 Ų148.688%0.88278%0.776SS**  trans141.4133.5155.7-76.9-92.1-76.500110.8
30V36.5Very low32.1Very low105 Ų105154.3 Ų154.364%0.63679%0.787SS**  cis-168.6146.9-25107.50000108.8
31H33.4Very low32.3Very low152 Ų152149.3 Ų149.370%0.70478%0.782SS**  trans30154.6157.6-58.4-57.3000123.3
32D33.6Very low32.2Very low123 Ų123148.4 Ų148.466%0.65878%0.782SS**  cis-164.2161.6-16.7-104.8-8.6000111.8
33Y33.4Very low32.3Very low201 Ų201146.6 Ų146.679%0.78878%0.778SS**  trans6.1118.8156.1-74.5-95000122.8
34N32.4Very low32.3Very low144 Ų144146.1 Ų146.177%0.7778%0.78SS**  33114.8122.1-79.9-47000120.7
35K32.1Very low32.2Very low207 Ų207144.1 Ų144.190%0.977%0.774SS**  trans-166.4133.7133.7-108.9163-171.8176.10111.9
36P33Very low32.3Very low119 Ų119144.9 Ų144.977%0.77377%0.772SS**  trans-98.7134.8-178.135.5-32.4000114.3
37V33Very low32.2Very low135 Ų135152.3 Ų152.382%0.81878%0.778SS**  trans-147.5101.5164.7-1790000106.1
38T32.1Very low32.4Very low116 Ų116145.8 Ų145.871%0.71277%0.768SS**  70.210387.4-53.60000114.4
39T29.4Very low32.4Very low106 Ų106148.7 Ų148.765%0.6577%0.769SS**  trans63.4114.6151.1-50.90000119.2
40Y29.4Very low32.4Very low229 Ų229149.1 Ų149.190%0.89877%0.767SS**  -172.1139105.7-103.8-70.6000111.3
41G29.6Very low32.1Very low69 Ų69149.9 Ų149.971%0.71178%0.777SS**  trans-132.1154.2168.100000110.5
42S32.2Very low32Very low115 Ų115147.5 Ų147.580%0.80478%0.784SS**  trans-157.1158172.159.30000111.2
43N29.7Very low32Very low137 Ų137145.5 Ų145.573%0.73379%0.792SS**  trans-118.5153.3-164.1-58.1-70.2000113.5T45N43-T45 WeakPolarHBondContact CB-OG1 3.45Å
44F32Very low32.1Very low202 Ų202144 Ų14489%0.88680%0.798SS**  trans-135.6116.9149.8-68.5-86.5000106.3
45T32.6Very low32.6Very low103 Ų103142.3 Ų142.363%0.63279%0.794SS**  cis76.391.314.6-42.10000116.2N43N43-T45 WeakPolarHBondContact CB-OG1 3.45Å
46K32.6Very low32.7Very low187 Ų187139.2 Ų139.281%0.81379%0.792SS**  trans174.4147.3143.9-95.7156.1-175.8179.90109.4
47R30.2Very low32.6Very low226 Ų226140.2 Ų140.285%0.85379%0.791SS**  cis-165.9149-29.5-122.4-176.3-167.8-142.62.7107.6
48P37.9Very low32.7Very low112 Ų112139.9 Ų139.973%0.72779%0.79SS**  trans-97.7169.8-179.838.6-35.3000113.4
49L31.7Very low32.7Very low155 Ų155138.3 Ų138.381%0.81280%0.796SS**  trans-139.4136.9156-85.2101.1000112.3
50F33.1Very low32.8Very low188 Ų188137.8 Ų137.883%0.82580%0.803SS**  trans-11.7164156.7-42.6-86.2000119.6
51S31.3Very low33.3Very low121 Ų121133.3 Ų133.385%0.84680%0.802SS**  cis-152.3174.721.4-159.40000113.6
52A30.9Very low33.5Very low103 Ų103134.4 Ų134.485%0.85180%0.799SS**  trans-94.8157.8-178.500000114.2
53G34Very low33.6Very low80 Ų80138.3 Ų138.383%0.82580%0.802SS**  trans-170.6129.8169.700000110.6
54N35.6Very low33.7Very low171 Ų171135.8 Ų135.891%0.91479%0.794SS**  trans-101.7165.8-170.8-119.816.4000113
55P41.5Very low33.8Very low107 Ų107132.7 Ų132.770%0.69579%0.787SS**  trans-105166.3-153.740-38.7000116.6
56V34.1Very low33.9Very low142 Ų142135.2 Ų135.286%0.86180%0.795SS**  trans-143.1106159.4-177.70000112.2
57N31.9Very low33.7Very low140 Ų140130.3 Ų130.375%0.74979%0.79SS**  trans46.6153.6131.9-1498.8000124.7
58T34.7Very low33.9Very low128 Ų128125.5 Ų125.579%0.78579%0.785SS**  trans84.9138.4158.272.30000121.6
59G32.8Very low33.6Very low83 Ų83127.4 Ų127.486%0.85679%0.789SS**  trans119113.1151.600000117.8
60A31.6Very low33.4Very low96 Ų96124.7 Ų124.779%0.79378%0.783SS**  trans-137154.416600000110.4
61P39Very low33.4Very low134 Ų134122.3 Ų122.387%0.8778%0.784SS**  -142.4-160.512738.8-23.7000113.6
62S34.8Very low33.3Very low92 Ų92122.4 Ų122.464%0.64378%0.784SS**  trans-154.2-178.1-147.451.20000114.5
63F32.5Very low33.3Very low198 Ų198121.2 Ų121.287%0.86878%0.783SS**  trans72.8152.6170.8-66.4-69.1000116.6
64S33.4Very low33.1Very low83 Ų83128.4 Ų128.458%0.5879%0.786SS**  cis-158.6179.4-7.443.20000111.5
65D33.3Very low32.9Very low137 Ų137128.2 Ų128.273%0.73379%0.785SS**  trans71.1157.2155.4-51.1-47.9000119.9
66I34.5Very low32.4Very low157 Ų157128.8 Ų128.881%0.80579%0.792SS**  -154.9162.1-54.3-117.6167.5000107.7
67A29.4Very low32.4Very low84 Ų84133.8 Ų133.869%0.69480%0.795SS**  trans-55.9162-171.800000117.2
68T34.3Very low32.5Very low124 Ų124132.9 Ų132.976%0.76180%0.797SS**  175.4129.7112-730000114.7
69L30.5Very low32.3Very low152 Ų152130.5 Ų130.580%0.79680%0.798SS**  trans40116.9155.7-67.4167.3000123.4
70S27.8Very low32.4Very low98 Ų98132 Ų13269%0.68580%0.795SS**  trans29121.8133.563.70000121.8
71T32.8Very low32.5Very low138 Ų138132.6 Ų132.685%0.84779%0.794SS**  -168.7162111.515.80000113.2
72S30Very low32.2Very low123 Ų123133.9 Ų133.986%0.8679%0.788SS**  trans-9124.3162.7-47.50000119
73G30.9Very low32Very low79 Ų79140 Ų14081%0.81480%0.797SS**  trans-175.9109.2165.400000114.4
74Y29.1Very low31.8Very low231 Ų231138.4 Ų138.491%0.90680%0.797SS**  trans-66.7135.6160.8-82.9-98.2000109.2
75N32.9Very low31.7Very low166 Ų166138.1 Ų138.189%0.88881%0.808SS**  trans-153126.4154.7-108.5-42.2000111.7
76S30.3Very low31.6Very low120 Ų120140.2 Ų140.284%0.83981%0.813SS**  trans-75.6145.4-176.8-52.10000111.9
77R33Very low31.3Very low247 Ų247140.6 Ų140.693%0.93282%0.816SS**  trans-103.4141.1168.9-136.7-179.6175.6-160.8-3.8110.4
78P34.8Very low31.5Very low121 Ų121144.9 Ų144.979%0.78683%0.825SS**  trans-107.8153.1-15639.2-34000116.2
79G30.5Very low31.2Very low78 Ų78143.8 Ų143.880%0.80482%0.823SS**  8279.9112.700000121.2
80S34.1Very low31.3Very low114 Ų114141.2 Ų141.280%0.79782%0.818SS**  trans-169.9119.9146.144.70000107.6
81S33.8Very low31.5Very low108 Ų108144.1 Ų144.176%0.75582%0.824SS**  cis66.8121.331.9-138.40000111.6
82Q34.4Very low31.7Very low161 Ų161142.1 Ų142.175%0.75281%0.813SS**  cis-140161.621.8-73.2-178.1-13.100114.6
83R29.1Very low31.8Very low222 Ų222143.6 Ų143.684%0.83881%0.811SS**  trans36.9133.2143.5-66.2177.5174.1-161.9-2.2120.7
84N28.4Very low32Very low163 Ų163143.9 Ų143.987%0.87281%0.807SS**  -138.2148.1123.3-104.1-22.7000109.6
85G31.6Very low32.2Very low78 Ų78142.5 Ų142.580%0.80481%0.805SS**  trans160.571.8-168.200000110.6
86E30.6Very low32.2Very low181 Ų181139.7 Ų139.785%0.84680%0.799SS**  trans-82.4147.7-173.4-63.1-178.4123.200112.7
87L29.4Very low32.5Very low165 Ų165137.5 Ų137.586%0.86480%0.795SS**  trans-141.8166165.7-87.5172.9000107.9
88I32.9Very low32.4Very low173 Ų173137 Ų13789%0.88779%0.793SS**  trans86.1156.2-178.4-51.1158.7000112.7
89S28.2Very low32.4Very low101 Ų101136.2 Ų136.271%0.70679%0.787SS**  trans-146.3170.3-142.8530000115.2
90S32.4Very low32.6Very low99 Ų99138.1 Ų138.169%0.69278%0.783SS**  trans82.699.3155.8-530000120.5
91I32.8Very low32.4Very low158 Ų158142.9 Ų142.981%0.8179%0.785SS**  45.3134.899.9-66.2171.9000117.5
92P37.7Very low32.7Very low97 Ų97142.6 Ų142.663%0.6378%0.78SS**  cis-149.8-169.9-17.743.3-22.5000117.5
93N31.9Very low32.7Very low153 Ų153141.2 Ų141.282%0.81878%0.783SS**  trans68.6124.1147.6-68.3-12.2000123.9
94A33.9Very low33Very low86 Ų86134.5 Ų134.571%0.71178%0.775SS**  149.9128.3104.400000117.6
95F33.2Very low33.3Very low201 Ų201134.7 Ų134.788%0.88278%0.775SS**  trans53.6158.8144-78.3-114.8000122.5
96S34Very low33.3Very low107 Ų107137.5 Ų137.575%0.74877%0.772SS**  cis-177.1154.1-30.5-94.90000112.7
97G35.6Very low33.4Very low74 Ų74133.1 Ų133.176%0.76376%0.761SS**  trans124.3116.5161.400000116.2
98R32.3Very low33.6Very low237 Ų237130 Ų13089%0.89475%0.752SS**  70.5137.272.7-110.9-165178.9-158.2-0.3114.5
99T33.8Very low33.7Very low105 Ų105129 Ų12964%0.64475%0.748SS**  cis-153.6-172.79.4-27.20000107.5
100T34.7Very low34.1Very low118 Ų118131 Ų13172%0.72475%0.747SS**  cis-153.4-13714.9-33.40000113.3
101Y30.3Very low34.2Very low214 Ų214133 Ų13384%0.83975%0.75SS**  trans-166.5-175.1-157.3-82.7-72.1000110.5
102P40.8Very low34.3Very low101 Ų101128.9 Ų128.966%0.65675%0.745SS**  cis-140.1-160.1-37.637.6-16.3000114.8
103T34.2Very low34.3Very low133 Ų133129.7 Ų129.782%0.81675%0.751SS**  trans70151.6153.3470000120.7
104A34.5Very low34.4Very low80 Ų80127.7 Ų127.766%0.66175%0.749SS**  cis-172.3174-18.900000111.3
105L35.8Very low34.4Very low167 Ų167132.8 Ų132.887%0.87475%0.751SS**  trans69156.6160.1-71.9165000117.5
106D31.6Very low34.3Very low138 Ų138131.6 Ų131.674%0.73875%0.746SS**  cis-151.3-179.6-10.1-17037.1000112.4
107S31Very low34.2Very low89 Ų89132.8 Ų132.862%0.62274%0.744SS**  trans-38.7160.817570.20000122.6
108S33.9Very low33.8Very low98 Ų98133.9 Ų133.969%0.68575%0.745SS**  171.6130.3115.465.50000116.2
109L35.7Very low33.8Very low152 Ų152131 Ų13180%0.79675%0.747SS**  trans56.8154145.6-80.173.3000120.7
110E35.6Very low33.4Very low145 Ų145132 Ų13268%0.67875%0.748SS**  cis-156.3158-3.4-134-175.8144.500113
111N34.4Very low33Very low141 Ų141136.1 Ų136.175%0.75475%0.752SS**  trans42.5141155.2-57.1-29.9000122.5
112G36Very low32.9Very low70 Ų70133.4 Ų133.472%0.72275%0.752SS**  cis-166.21773.600000113.3
113P36.9Very low32.4Very low115 Ų115136.3 Ų136.375%0.74776%0.762SS**  trans-121.5160.5-148.841.2-32.2000117.9
114S35Very low32.2Very low110 Ų110134.9 Ų134.977%0.76976%0.757SS**  trans-175.9148.1151-76.60000110.3
115Y32.7Very low31.9Very low194 Ų194140.4 Ų140.476%0.76177%0.769SS**  cis-174.3120.6-26.9-112.4-69000106
116F31.6Very low31.7Very low175 Ų175137.4 Ų137.477%0.76877%0.769SS**  trans77123156.1-89.9-130000124.4
117N31.8Very low31.6Very low133 Ų133134 Ų13471%0.71177%0.766SS**  trans31.3113.8136.4-56.4-11.3000119.4
118A27.1Very low31.5Very low96 Ų96135.6 Ų135.679%0.79378%0.775SS**  75.4109.153.500000115.6
119L31.7Very low31.4Very low178 Ų178135.2 Ų135.293%0.93278%0.778SS**  trans-148.9134.5141.4-110.2174.3000110.5
120N26.1Very low31.2Very low125 Ų125136.4 Ų136.467%0.66877%0.771SS**  trans-52.4136-175.2177.532.6000116.1
121Y27.1Very low30.9Very low205 Ų205135.9 Ų135.980%0.80477%0.773SS**  trans166.899.1135.4-98.8-69.7000112.4
122N28Very low30.8Very low156 Ų156136.2 Ų136.283%0.83477%0.768SS**  trans159116.1140.7-92.2-39.4000114.3
123N29.8Very low30.5Very low162 Ų162137 Ų13787%0.86676%0.763SS**  trans-176.1149.6143.3-114.1-29.8000107.2
124S29.5Very low30.1Very low103 Ų103140.5 Ų140.572%0.7277%0.769SS**  cis-159.2133.82.552.40000109.8
125Q29.2Very low30Very low196 Ų196139.8 Ų139.892%0.91676%0.762SS**  trans-152.3120.6156.9-155.6165.915.200110.5
126A30.1Very low29.9Very low104 Ų104135 Ų13586%0.8676%0.757SS**PPolyproline II helixtrans-79.7126.4178.600000110.3
127G29.4Very low29.8Very low66 Ų66134 Ų13468%0.6876%0.759SS**PPolyproline II helixtrans-89149169.300000111.6
128P30.5Very low29.7Very low124 Ų124136.8 Ų136.881%0.80577%0.765SS**PPolyproline II helixtrans-70.6166175.331-35.5000112.2
129A30.5Very low29.6Very low90 Ų90137.1 Ų137.174%0.74476%0.761SS**PPolyproline II helixtrans-61.8144.2179.200000112.5N131A129-N131 PolarHBondContact O-N 3.15Å
130R32.4Very low29.6Very low176 Ų176133.6 Ų133.666%0.66475%0.752SS**  trans-91.591.6-176.7-65.7-175.9-178.4179.41.8111.7
131N29.5Very low29.7Very low134 Ų134134.8 Ų134.872%0.71776%0.757SS**  trans-75.5136.8169.2-73.45.9000111.1A129 S133A129-N131 PolarHBondContact O-N 3.15Å; N131-S133 VanDerWaalsContact C-N 3.26Å; N131-S133 PolarHBondContact O-N 3.45Å
132F31.6Very low29.8Very low149 Ų149130.6 Ų130.665%0.65476%0.758SS**SBendtrans-8760.7167.3-80.8-79000110.2
133S30.6Very low29.9Very low86 Ų86128.5 Ų128.560%0.60175%0.751SS**  trans-16161.1-176.943.80000113.9N131N131-S133 VanDerWaalsContact C-N 3.26Å; N131-S133 PolarHBondContact O-N 3.45Å
134E28.2Very low29.9Very low188 Ų188128.6 Ų128.688%0.87975%0.75SS**  trans-13593.2161-150.9174-14600110.7S136E134-S136 PolarHBondContact O-N 3.42Å
135P33Very low29.9Very low95 Ų95130.4 Ų130.462%0.61775%0.751SS**  trans-68.8119.3169.628.5-32000108.6L137P135-L137 PolarHBondContact O-N 2.86Å
136S30.3Very low29.8Very low94 Ų94132 Ų13266%0.65775%0.749SS**  trans-56.9112.6-177.554.40000111.2E134 F138E134-S136 PolarHBondContact O-N 3.42Å; S136-F138 PolarHBondContact O-N 3.17Å
137L29.8Very low29.9Very low154 Ų154133.9 Ų133.981%0.80675%0.749SS**  trans-65.596-172.6-68.7173.7000112.1P135 S139P135-L137 PolarHBondContact O-N 2.86Å; L137-S139 PolarHBondContact O-N 3.25Å; L137-S139 PolarHBondContact O-OG 3.41Å
138F29.3Very low29.9Very low192 Ų192135.8 Ų135.884%0.84276%0.759SS**  trans-61.999.7168.3-96.4-80.1000110.3S136 S140S136-F138 PolarHBondContact O-N 3.17Å; F138-S140 VanDerWaalsContact C-N 3.34Å; F138-S140 PolarHBondContact O-N 2.81Å
139S25.6Very low29.9Very low103 Ų103133.6 Ų133.672%0.7276%0.759SS**  trans-81.176.8-177-65.70000111.7L137L137-S139 PolarHBondContact O-N 3.25Å; L137-S139 PolarHBondContact O-OG 3.41Å
140S30.4Very low30Very low104 Ų104136 Ų13673%0.72776%0.76SS**  trans-98.496.3154.254.50000107.7F138F138-S140 VanDerWaalsContact C-N 3.34Å; F138-S140 PolarHBondContact O-N 2.81Å
141L28Very low30Very low149 Ų149133.7 Ų133.778%0.7876%0.76SS**  47.4114.880.1-58.6170.7000110.4
142S30.9Very low30.1Very low117 Ų117133.8 Ų133.882%0.81876%0.76SS**  cis-129146.744.551.30000116.6
143T29.7Very low30.1Very low112 Ų112132.1 Ų132.169%0.68776%0.762SS**  trans-73.4124.7175.4-48.60000111.7N145T143-N145 VanDerWaalsContact C-N 3.28Å; T143-N145 HydrophobicContact CG2-CB 4.14Å; T143-N145 PolarHBondContact O-N 3.32Å
144I29.5Very low30.1Very low165 Ų165134.3 Ų134.385%0.84677%0.767SS**  trans-76.582164.9-56.6178000108.7
145N30.5Very low30.3Very low141 Ų141132.1 Ų132.175%0.75476%0.761SS**  trans-92.7141.5174.8-150.6-5.2000111.2T143T143-N145 VanDerWaalsContact C-N 3.28Å; T143-N145 HydrophobicContact CG2-CB 4.14Å; T143-N145 PolarHBondContact O-N 3.32Å
146R26.2Very low30Very low230 Ų230137.1 Ų137.187%0.86877%0.768SS**  trans-99.1106.6-166.1-61.3176.3-178.3179.40.6112.2
147T32.1Very low30.1Very low142 Ų142139.9 Ų139.987%0.87177%0.774SS**  trans-142.3138.7163.129.60000111.2
148A29Very low30.1Very low107 Ų107135.7 Ų135.788%0.88477%0.768SS**  trans-89.6145.817000000109.9
149G31.2Very low30.2Very low78 Ų78133 Ų13380%0.80477%0.769SS**  trans-174.5103-176.400000111.3
150N32.3Very low30.5Very low141 Ų141131.5 Ų131.575%0.75477%0.771SS**  trans-49.4152-178.9-98.245.9000117.5
151D31.9Very low30.5Very low127 Ų127132.1 Ų132.168%0.67978%0.775SS**  trans95.9129.9130-80-35.4000124.6
152L32.4Very low30.6Very low136 Ų136133 Ų13371%0.71278%0.778SS**  trans77.591.4142.7-63.5167.9000122.7
153T30.8Very low30.6Very low114 Ų114132.9 Ų132.970%0.69977%0.773SS**  88.4141.4120.9590000123.6
154N30.9Very low30.6Very low131 Ų131133.2 Ų133.270%0.70178%0.777SS**  trans80.7105.3148.5-65.3-23.9000121.1
155N31.8Very low30.6Very low142 Ų142131 Ų13176%0.75978%0.776SS**  trans74.5148.6140-67.9-32.3000119.6
156R28.3Very low30.7Very low201 Ų201130.2 Ų130.276%0.75878%0.777SS**  cis-172128.6-18.3176.2175.3-142.1-118.25.4110.9
157I31.4Very low31Very low151 Ų151123.3 Ų123.377%0.77476%0.761SS**  trans67.6134.8163.2-67.6165.6000117.6
158G30.7Very low31.1Very low66 Ų66119.6 Ų119.668%0.6874%0.735SS**  trans139.99215400000116.1
159P30.7Very low31.5Very low135 Ų135118.9 Ų118.988%0.87772%0.716SS**PPolyproline II helixtrans-83.8124.7171.232.6-31000111.6
160G31.7Very low31.8Very low73 Ų73118.1 Ų118.175%0.75370%0.696SS**PPolyproline II helixtrans-98140.5170.100000111.5
161S30.3Very low31.7Very low116 Ų116114.7 Ų114.781%0.81169%0.688SS**PPolyproline II helixtrans-76.9128.2-178.954.20000112.4
162I30.5Very low31.8Very low167 Ų167113.2 Ų113.286%0.85668%0.678SS**PPolyproline II helixtrans-89.8121166.2-59.7173.9000107.9
163T30.9Very low31.6Very low116 Ų116111.3 Ų111.371%0.71268%0.682SS**PPolyproline II helixtrans-85.8135.1170.8480000110.2S165T163-S165 PolarHBondContact O-N 3.12Å
164P29.8Very low31.6Very low119 Ų119113 Ų11377%0.77369%0.685SS**PPolyproline II helixtrans-69.6128.5177.529-33.9000111V166P164-V166 PolarHBondContact O-N 3.34Å
165S29.4Very low31.5Very low117 Ų117111.1 Ų111.182%0.81869%0.688SS**PPolyproline II helixtrans-75.4118.216838.90000109.8T163T163-S165 PolarHBondContact O-N 3.12Å
166V32.7Very low31.4Very low126 Ų126110 Ų11076%0.76469%0.691SS**PPolyproline II helixtrans-76.6125.2175.6-177.30000109.2P164 M168P164-V166 PolarHBondContact O-N 3.34Å; V166-M168 PolarHBondContact O-N 2.83Å
167P31.8Very low31.4Very low84 Ų84111.9 Ų111.955%0.54570%0.698SS.*PPolyproline II helixtrans-70.6127.9176.627.9-33.2000111N169P167-N169 PolarHBondContact O-N 3.12Å; P167-N169 VanDerWaalsContact O-N 3.1Å
168M35.6Very low31.3Very low64 Ų64111.5 Ų111.532%0.31570%0.698SS.*  trans-79.188.4179.6-177.8176.1-179.600110.9V166 Y480 Q507V166-M168 PolarHBondContact O-N 2.83Å; M168-Y480 HydrophobicContact CE-CD1 4.34Å; M168-Y480 HydrophobicContact CE-CE1 4.33Å; M168-Q507 HydrophobicContact CE-CB 4.33Å
169N36.4Very low31.6Very low92 Ų92113.8 Ų113.849%0.49270%0.701SS.*  trans-115.487.8171.9-81.2-13.5000110.2P167 A171P167-N169 PolarHBondContact O-N 3.12Å; P167-N169 VanDerWaalsContact O-N 3.1Å; N169-A171 PolarHBondContact O-N 2.64Å
170T37.4Very low31.6Very low62 Ų62110.6 Ų110.638%0.3869%0.692SS.*  trans-75117.5175.2-48.10000110.2M172 P534 V535T170-M172 PolarHBondContact O-N 2.98Å; T170-P534 HydrophobicContact CG2-CG 4.46Å; T170-V535 HydrophobicContact CG2-CG2 4.45Å
171A31.2Very low31.4Very low70 Ų70114.9 Ų114.958%0.57970%0.698SS**  trans-75.887-175.500000113N169 A173N169-A171 PolarHBondContact O-N 2.64Å; A171-A173 VanDerWaalsContact C-N 3.3Å; A171-A173 PolarHBondContact O-N 2.81Å
172M33.1Very low31.6Very low96 Ų96115.9 Ų115.947%0.47369%0.694SS.*  trans-78.775.9166.6-89.1-70.2-109.700111.2T170 L174 P534T170-M172 PolarHBondContact O-N 2.98Å; M172-L174 VanDerWaalsContact C-N 3.33Å; M172-L174 PolarHBondContact O-N 3.34Å; M172-P534 VanDerWaalsContact CE-O 3.25Å; M172-P534 WeakPolarHBondContact CE-O 3.47Å; M172-P534 VanDerWaalsContact SD-O 3.37Å
173A29Very low31.7Very low96 Ų96117.4 Ų117.479%0.79369%0.69SS**  trans-73.883.3173.600000110.8A171 A175A171-A173 VanDerWaalsContact C-N 3.3Å; A171-A173 PolarHBondContact O-N 2.81Å; A173-A175 PolarHBondContact O-N 3.48Å
174L31.1Very low31.7Very low149 Ų149116.1 Ų116.178%0.7869%0.686SS**  trans-58.7117.5175.3-86.6165.8000110.9M172 S176M172-L174 VanDerWaalsContact C-N 3.33Å; M172-L174 PolarHBondContact O-N 3.34Å; L174-S176 PolarHBondContact O-N 2.89Å
175A28.6Very low31.8Very low91 Ų91118.4 Ų118.475%0.75269%0.691SS**  trans-68105.5179.200000110.7A173 R177A173-A175 PolarHBondContact O-N 3.48Å; A175-R177 PolarHBondContact O-N 3.36Å
176S28.1Very low32Very low119 Ų119117.4 Ų117.483%0.83269%0.685SS**  trans-65.192.2178-173.20000111.5L174 N178L174-S176 PolarHBondContact O-N 2.89Å; S176-N178 PolarHBondContact O-N 3.26Å
177R30.1Very low32Very low240 Ų240119.6 Ų119.691%0.90669%0.69SS**  trans-78.194.1168.7-84.1-168.8169.3-157.5-1.2109.5A175 P179A175-R177 PolarHBondContact O-N 3.36Å; R177-P179 VanDerWaalsContact O-CD 3.29Å; R177-P179 WeakPolarHBondContact O-CD 3.39Å
178N29.1Very low32.1Very low143 Ų143119.1 Ų119.177%0.76570%0.7SS**PPolyproline II helixtrans-56.9117.6174.3-172.523.1000112.8S176S176-N178 PolarHBondContact O-N 3.26Å
179P35.8Very low31.9Very low114 Ų114120.9 Ų120.974%0.7472%0.719SS**PPolyproline II helixtrans-95.1121.5165.332.8-21.7000110R177R177-P179 VanDerWaalsContact O-CD 3.29Å; R177-P179 WeakPolarHBondContact O-CD 3.39Å
180G31.6Very low31.7Very low68 Ų68125.8 Ų125.870%0.70174%0.739SS**PPolyproline II helixtrans-74.3156-17200000115.5
181N28Very low31.5Very low163 Ų163129.3 Ų129.387%0.87276%0.755SS**PPolyproline II helixtrans-50.3134.3171.6-64.2-7.7000112.7
182L34.2Very low31.6Very low138 Ų138132.9 Ų132.972%0.72377%0.77SS**  trans-148.9133.2151.8-75.3-173.9000110.9
183Y33Very low31.5Very low199 Ų199133.3 Ų133.378%0.7878%0.783SS**  trans43.9109.9159-49.6-55.2000119.3
184S29.8Very low31.7Very low89 Ų89133.7 Ų133.762%0.62278%0.779SS**  69.9102.863.580.20000116
185N32.6Very low31.7Very low166 Ų166133.8 Ų133.889%0.88878%0.781SS**  -171173.2112.4-94.7-14000111.7
186S32.9Very low31.8Very low97 Ų97134.7 Ų134.768%0.67878%0.782SS**  trans-134.5172.1-163.558.50000113.2
187I33.6Very low32.2Very low172 Ų172135 Ų13588%0.88278%0.779SS**  trans75.8138.6172.1-52.9157.2000112.8
188G32.4Very low32.1Very low73 Ų73130.8 Ų130.875%0.75377%0.774SS**  cis-146.3-177.16.500000113.7
189S32.5Very low32.3Very low101 Ų101131.5 Ų131.571%0.70678%0.777SS**  trans-109.4142.7-170.3168.80000112.5
190E32.1Very low31.9Very low195 Ų195130.8 Ų130.891%0.91178%0.775SS**  trans-121.2152.1147-69-160.3134.400109.7
191N32.9Very low31.8Very low136 Ų136135.5 Ų135.573%0.72778%0.783SS**  trans-97.1139.6-174.7-77.7-64000111.7
192T34Very low31.8Very low145 Ų145132 Ų13289%0.8977%0.772SS**  trans-136.7118.4154.4-46.40000108.6
193S31Very low31.6Very low106 Ų106131.3 Ų131.374%0.74178%0.778SS**  trans-125.1110.9-168.6-50.60000111.7
194S32.8Very low31.6Very low103 Ų103126.7 Ų126.772%0.7278%0.775SS**  trans-160.4134.4166.657.90000113.4
195N31.3Very low31.9Very low152 Ų152128 Ų12881%0.81378%0.784SS**  trans62.166.3159.4-61.6-6.1000118.7T197N195-T197 PolarHBondContact O-N 3.4Å
196S30.2Very low31.9Very low109 Ų109131.4 Ų131.476%0.76279%0.785SS**  trans-77.489.115440.60000111.4N198S196-N198 PolarHBondContact O-N 3.4Å
197T35.7Very low31.8Very low127 Ų127130 Ų13078%0.77979%0.785SS**  trans-76.4101166.748.60000110N195 L199N195-T197 PolarHBondContact O-N 3.4Å; T197-L199 PolarHBondContact O-N 3.06Å; T197-L199 VanDerWaalsContact O-N 3.1Å
198N29.4Very low32.3Very low150 Ų150127.9 Ų127.980%0.80278%0.78SS**  trans-64108.7179.7-69-51.7000112.1S196S196-N198 PolarHBondContact O-N 3.4Å
199L31.8Very low32.6Very low158 Ų158131 Ų13183%0.82779%0.785SS**  trans-99.9100.3155.3-79.4170000107.9T197 L201T197-L199 PolarHBondContact O-N 3.06Å; T197-L199 VanDerWaalsContact O-N 3.1Å; L199-L201 PolarHBondContact O-N 3.23Å
200S27.9Very low33Very low99 Ų99132.6 Ų132.669%0.69279%0.785SS**  trans-75.492.8-177.954.20000111.4S202S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.19Å
201L29.4Very low34.1Very low168 Ų168127.1 Ų127.188%0.8876%0.762SS**  trans-70.187.6160.1-7787.8000108.5L199L199-L201 PolarHBondContact O-N 3.23Å
202S28.6Very low35.4Very low90 Ų90125.9 Ų125.963%0.62976%0.761SS**  trans-122.962.6179.767.10000111.3S200 S204S200-S202 VanDerWaalsContact C-N 3.25Å; S200-S202 PolarHBondContact O-N 3.19Å; S202-S204 PolarHBondContact O-N 3.05Å
203S30.6Very low37Very low123 Ų123123.6 Ų123.686%0.8675%0.751SS**  trans-8533.8167.758.70000112.3S205S203-S205 PolarHBondContact O-N 3.1Å; S203-S205 VanDerWaalsContact O-N 3.13Å
204S32Very low39.1Very low101 Ų101125.1 Ų125.171%0.70675%0.751SS**  trans-64.2111.5166.1-52.40000108.3S202 R206S202-S204 PolarHBondContact O-N 3.05Å; S204-R206 PolarHBondContact O-N 2.9Å
205S35.8Very low40.3Very low118 Ų118126.8 Ų126.883%0.82575%0.746SS**  trans-56.8109170.635.30000108.8S203 G207S203-S205 PolarHBondContact O-N 3.1Å; S203-S205 VanDerWaalsContact O-N 3.13Å; S205-G207 PolarHBondContact O-N 3.4Å; S205-G207 VanDerWaalsContact O-N 3.1Å
206R32.4Very low41.8Very low236 Ų236124.7 Ų124.789%0.89174%0.74SS**  trans-59.7118.1179.7-72-179.2176.1172.8-1.5108.6S204 V208S204-R206 PolarHBondContact O-N 2.9Å; R206-V208 PolarHBondContact O-N 2.96Å
207G32.4Very low43.2Very low67 Ų67124.9 Ų124.969%0.69174%0.739SS**  trans-56.3124.7175.200000110.1S205 T209S205-G207 PolarHBondContact O-N 3.4Å; S205-G207 VanDerWaalsContact O-N 3.1Å; G207-T209 PolarHBondContact O-N 3.21Å
208V43.2Very low43.6Very low129 Ų129126.4 Ų126.478%0.78274%0.741SS**  trans-71.895.1173.8-79.20000109.1R206 L210R206-V208 PolarHBondContact O-N 2.96Å; V208-L210 PolarHBondContact O-N 2.76Å
209T39.2Very low44.1Very low139 Ų139126.6 Ų126.685%0.85374%0.741SS**  trans-67.995.6167.952.70000108.8G207 D211G207-T209 PolarHBondContact O-N 3.21Å; T209-D211 PolarHBondContact O-N 3.34Å
210L41.3Very low44.3Very low133 Ų133124.5 Ų124.570%0.69673%0.734SS**  trans-68.1121.7174.1-61.3174.1000109.1V208 P212V208-L210 PolarHBondContact O-N 2.76Å; L210-P212 WeakPolarHBondContact O-CD 3.47Å
211D53.8Low44.6Very low80 Ų80125.8 Ų125.843%0.42874%0.744SS.*  trans-78.4123.1169.2-168.3-27000108.5T209 S213 D214T209-D211 PolarHBondContact O-N 3.34Å; D211-S213 PolarHBondContact O-N 2.78Å; D211-S213 WeakPolarHBondContact OD1-CB 3.43Å; D211-S213 PolarHBondContact OD1-N 3Å; D211-S213 PolarHBondContact OD1-OG 3.37Å; D211-D214 PolarHBondContact O-N 3.39Å; D211-D214 VanDerWaalsContact O-N 3.15Å
212P61.4Low45Very low110 Ų110123.8 Ų123.871%0.71474%0.738SS**G310 helixtrans-56.2-20.5172.9-25.235.9000113.8L210 D214 F215L210-P212 WeakPolarHBondContact O-CD 3.47Å; P212-D214 VanDerWaalsContact C-N 3.32Å; P212-D214 PolarHBondContact O-N 3.31Å; P212-F215 PolarHBondContact O-N 3.08Å
213S67.9Low45.2Very low97 Ų97123.4 Ų123.468%0.67875%0.749SS**G310 helixtrans-71.1-20179-44.20000114.1D211 F215D211-S213 PolarHBondContact O-N 2.78Å; D211-S213 WeakPolarHBondContact OD1-CB 3.43Å; D211-S213 PolarHBondContact OD1-N 3Å; D211-S213 PolarHBondContact OD1-OG 3.37Å; S213-F215 PolarHBondContact O-N 2.96Å
214D73.9Confident45.3Very low138 Ų138129.3 Ų129.374%0.73875%0.752SS**G310 helixtrans-74.1-10.9177.7-82-30.1000112.9D211 P212D211-D214 PolarHBondContact O-N 3.39Å; D211-D214 VanDerWaalsContact O-N 3.15Å; P212-D214 VanDerWaalsContact C-N 3.32Å; P212-D214 PolarHBondContact O-N 3.31Å
215F57.4Low45.4Very low139 Ų139130.5 Ų130.561%0.6176%0.761SS**SBendtrans-90.5123.8178.1-68.3-86000111.3P212 S213P212-F215 PolarHBondContact O-N 3.08Å; S213-F215 PolarHBondContact O-N 2.96Å
216P63.4Low45.4Very low107 Ų107127.8 Ų127.870%0.69575%0.751SS**PPolyproline II helixtrans-64.8138.917627.3-34000110.4I218P216-I218 PolarHBondContact O-N 3.45Å
217P59.2Low45.5Very low114 Ų114124.7 Ų124.774%0.7475%0.752SS**PPolyproline II helixtrans-63.7127.2-175.925.1-34.1000111.2L219P217-L219 PolarHBondContact O-N 3.23Å
218I45.7Very low45.8Very low159 Ų159126.8 Ų126.882%0.81576%0.756SS**  trans-7098.6176.8-59176.8000108.5P216 T220P216-I218 PolarHBondContact O-N 3.45Å; I218-T220 PolarHBondContact O-N 3.25Å
219L39.4Very low45.2Very low154 Ų154126.2 Ų126.281%0.80676%0.759SS**  trans-69.596.2173.8-72173.4000110.2P217 S221P217-L219 PolarHBondContact O-N 3.23Å; L219-S221 PolarHBondContact O-N 3.42Å
220T35.8Very low45.1Very low113 Ų113125.5 Ų125.569%0.69375%0.754SS**  trans-63.8101.1170.6510000110I218 T222I218-T220 PolarHBondContact O-N 3.25Å; T220-T222 PolarHBondContact O-N 3.44Å
221S34.8Very low44.8Very low127 Ų127125 Ų12589%0.88876%0.759SS**  trans-80.854.1-173.950.60000113.6L219L219-S221 PolarHBondContact O-N 3.42Å
222T37Very low43.8Very low125 Ų125131 Ų13177%0.76778%0.781SS**  trans-106.2118.317637.90000111.8T220T220-T222 PolarHBondContact O-N 3.44Å
223G32.9Very low42.5Very low83 Ų83134.6 Ų134.686%0.85679%0.788SS**  trans83.686.2161.400000117.3
224R33.6Very low40.8Very low246 Ų246135.8 Ų135.893%0.92880%0.796SS**  trans-137.377.9147.8-161.9171.6-176178.40.4112.2
225S34Very low38.9Very low127 Ų127134.8 Ų134.889%0.88880%0.801SS**  trans-70.8136.6154.5-174.80000108.5
226G35.7Very low37.6Very low60 Ų60132.5 Ų132.562%0.61981%0.807SS**  trans173.1117.8-179.200000111.9S228G226-S228 PolarHBondContact O-N 3.22Å
227N33.1Very low36.1Very low171 Ų171135 Ų13591%0.91482%0.815SS**  trans-67.2126.6-174.7-68.8-14.2000112.8
228S38.3Very low34.8Very low111 Ų111137.8 Ų137.878%0.77682%0.818SS**  trans-153.5123.5149.359.70000110G226G226-S228 PolarHBondContact O-N 3.22Å
229S31.3Very low34.3Very low118 Ų118135.3 Ų135.383%0.82581%0.812SS**  trans-91.9116.4-172.453.20000113.1
230T37.3Very low34.1Very low123 Ų123134.1 Ų134.176%0.75581%0.813SS**  trans-141109.9163.552.60000110.3
231P34.1Very low34.1Very low123 Ų123135.9 Ų135.980%0.79982%0.818SS**  trans-79.7133.3171.432-31.5000110.1
232F33.6Very low34.1Very low205 Ų205138.8 Ų138.890%0.89981%0.809SS**  trans-125.7148.7166.5-110.7-89.1000111
233H34.9Very low33.9Very low186 Ų186140.2 Ų140.286%0.86181%0.812SS**  trans-67.1136.9-157.8-93.3-142.2000115.2
234S30.5Very low34Very low122 Ų122143.8 Ų143.885%0.85380%0.801SS**  trans-83.7110.2162.554.80000111
235S34.4Very low34.1Very low118 Ų118135.5 Ų135.583%0.82578%0.777SS**  trans-94.4121162.9560000109.8
236A30.7Very low34.2Very low90 Ų90133.7 Ų133.774%0.74477%0.765SS**  trans-75.6172.8-17900000113.2
237N31Very low34.2Very low161 Ų161134.6 Ų134.686%0.86176%0.755SS**  trans80.366.3174.4-57.2-17.9000118.1
238Q33.6Very low34.4Very low172 Ų172134.4 Ų134.480%0.80475%0.751SS**  trans-139.2145.7139.6-92.6-172.12.100110.8
239P33.9Very low34.3Very low106 Ų106135 Ų13569%0.68876%0.755SS**PPolyproline II helixtrans-73.5158.9178.331.8-35.3000111.8L241P239-L241 PolarHBondContact O-N 3.43Å; P239-L241 VanDerWaalsContact O-N 3.16Å
240P36.6Very low34.4Very low129 Ų129138.4 Ų138.484%0.83876%0.755SS**PPolyproline II helixtrans-64.7117.4-173.425.6-34.7000112.2
241L35.8Very low34.1Very low150 Ų150136.5 Ų136.579%0.78576%0.76SS**PPolyproline II helixtrans-62.7135174.2-69.9170.8000110.6P239 N243P239-L241 PolarHBondContact O-N 3.43Å; P239-L241 VanDerWaalsContact O-N 3.16Å; L241-N243 PolarHBondContact O-N 3.45Å
242R34.5Very low33.9Very low189 Ų189136 Ų13671%0.71376%0.759SS**PPolyproline II helixtrans-69.1128.6174.4-76.7-178.5165.4-152.6-3110.3Y244R242-Y244 VanDerWaalsContact C-N 3.31Å; R242-Y244 HydrophobicContact CB-CD2 3.74Å; R242-Y244 HydrophobicContact CB-CE2 3.8Å; R242-Y244 HydrophobicContact CG-CE2 4.35Å; R242-Y244 PolarHBondContact NH1-OH 3.22Å; R242-Y244 PolarHBondContact O-N 3.39Å
243N33Very low33.7Very low155 Ų155131.7 Ų131.783%0.82976%0.755SS**  trans-68.884.3168.5-74.9-7.5000111.2L241 V245L241-N243 PolarHBondContact O-N 3.45Å; N243-V245 PolarHBondContact O-N 2.98Å
244Y33.3Very low33.5Very low158 Ų158129.1 Ų129.162%0.6275%0.752SS**  trans-86.298.6166.9-85.6-82.3000110.3R242 S246R242-Y244 VanDerWaalsContact C-N 3.31Å; R242-Y244 HydrophobicContact CB-CD2 3.74Å; R242-Y244 HydrophobicContact CB-CE2 3.8Å; R242-Y244 HydrophobicContact CG-CE2 4.35Å; R242-Y244 PolarHBondContact NH1-OH 3.22Å; R242-Y244 PolarHBondContact O-N 3.39Å; Y244-S246 VanDerWaalsContact C-N 3.32Å; Y244-S246 PolarHBondContact O-N 3.06Å
245V36.7Very low33.5Very low71 Ų71130.4 Ų130.443%0.4375%0.748SS.*  trans-80.483.9168.6-177.20000109.1N243 I247 K392N243-V245 PolarHBondContact O-N 2.98Å; V245-I247 PolarHBondContact O-N 3.23Å; V245-K392 PolarHBondContact O-NZ 2.73Å
246S36.2Very low33.4Very low90 Ų90132.6 Ų132.663%0.62975%0.75SS**  trans-83.398177.3-65.80000111.2Y244 M248Y244-S246 VanDerWaalsContact C-N 3.32Å; Y244-S246 PolarHBondContact O-N 3.06Å; S246-M248 PolarHBondContact O-N 2.96Å
247I34.5Very low33.5Very low78 Ų78136.3 Ų136.340%0.475%0.752SS.*SBendtrans-77.167.2174.244.3170000111.8V245V245-I247 PolarHBondContact O-N 3.23Å
248M38.4Very low33.5Very low168 Ų168134.1 Ų134.183%0.82875%0.749SS**  trans-179.179.8158.8-107.1172.5-8300112.1S246S246-M248 PolarHBondContact O-N 2.96Å
249S35.3Very low33.4Very low124 Ų124133 Ų13387%0.86775%0.748SS**  trans-90.6104.6160.7-70.80000109G251S249-G251 PolarHBondContact O-N 3.35Å
250K35.1Very low33.3Very low188 Ų188133.8 Ų133.882%0.81775%0.747SS**  trans-67130.8173.4-68.9175.5-179.5171.40109.2S252K250-S252 PolarHBondContact O-N 3.36Å
251G29.3Very low33.1Very low84 Ų84135.4 Ų135.487%0.86674%0.743SS**  trans-61.6133.9172.700000111.2S249S249-G251 PolarHBondContact O-N 3.35Å
252S31.3Very low32.8Very low111 Ų111137.6 Ų137.678%0.77675%0.746SS**  trans-124.5125.3167.8-173.10000107.7K250K250-S252 PolarHBondContact O-N 3.36Å
253S28.4Very low32.5Very low116 Ų116134.9 Ų134.981%0.81175%0.746SS**  trans-86.5114.7-176.852.50000111.1
254T32.2Very low32.6Very low132 Ų132135.9 Ų135.981%0.8175%0.745SS**  trans-124.6119.1159.847.70000109.2
255I30.1Very low32.4Very low149 Ų149133.6 Ų133.676%0.76475%0.753SS**  trans-71.5136171.9-63.9159.3000107.8Q257I255-Q257 HydrophobicContact CG2-CG 4.47Å
256D32.4Very low32.3Very low164 Ų164135.8 Ų135.888%0.87777%0.771SS**  trans-146.8150.8151.7-126.7-34.7000111.1
257Q31.7Very low32Very low168 Ų168139 Ų13979%0.78578%0.781SS**  trans-118.4126.6-169.2-61.6177.8-0.100111.4I255I255-Q257 HydrophobicContact CG2-CG 4.47Å
258S32.4Very low32.1Very low114 Ų114143.3 Ų143.380%0.79781%0.805SS**  trans-165.7128.6151.818.90000115.6
259L31.1Very low31.9Very low148 Ų148144.7 Ų144.778%0.77581%0.809SS**  trans51.5109.7144.4-81.372.7000121.7
260N31.8Very low32.1Very low124 Ų124143.7 Ų143.766%0.66381%0.809SS**  79.5115.9119.2-67.5-8.4000122.1
261Q30.9Very low32.5Very low162 Ų162138.7 Ų138.776%0.75780%0.802SS**  51.9109.3126-55.7-179.62500118.4
262F30.9Very low32.9Very low196 Ų196141.1 Ų141.186%0.8680%0.803SS**  -145.2146.4102.5-116.3-80.7000109.9
263N28.5Very low33.6Very low132 Ų132143.6 Ų143.671%0.70681%0.807SS**  trans-134.2113.5-172.3-175.315.8000109.9
264H34.8Very low34.1Very low176 Ų176147 Ų14782%0.81581%0.81SS**  trans-144.3109.4171.6-93.3-65.5000111
265S28.9Very low35Very low111 Ų111148.9 Ų148.978%0.77681%0.807SS**  trans-87.8137.6170-40.90000110.3
266S33.3Very low35.6Very low116 Ų116145.1 Ų145.181%0.81179%0.794SS**  trans-152.4111.5160.957.70000110.2
267N31.5Very low36.8Very low157 Ų157147.1 Ų147.184%0.8480%0.795SS**  trans-64.3145.8167.9-74.8-22.9000110.2
268N36.7Very low37.8Very low169 Ų169147.2 Ų147.290%0.90480%0.795SS**  trans-158.3149.8133.9-103.8-28.5000111.4
269Q33.3Very low38.9Very low197 Ų197146.7 Ų146.792%0.92178%0.784SS**  trans-79.9144.8179.3-65.3168.8-26.900110.8
270A40.5Very low40.3Very low103 Ų103147.8 Ų147.885%0.85178%0.782SS**  trans-141.7146.3163.600000109.4
271A42Very low41.6Very low83 Ų83147.8 Ų147.869%0.68679%0.789SS**PPolyproline II helixtrans-80.9166.3-173.200000112.9L273A271-L273 PolarHBondContact O-N 2.93Å
272P38.9Very low42.6Very low135 Ų135144.5 Ų144.588%0.87779%0.789SS**PPolyproline II helixtrans-59.3134.7175.1-21.633.7000111.8
273L44.8Very low43.3Very low164 Ų164143 Ų14386%0.85979%0.79SS**PPolyproline II helixtrans-83.4128.2180-81.7158.3000111.6A271A271-L273 PolarHBondContact O-N 2.93Å
274E40.3Very low43.9Very low188 Ų188143 Ų14388%0.87980%0.797SS**PPolyproline II helixtrans-83.6125.5177.8-173.6177.3-164.900110.7S276E274-S276 PolarHBondContact O-N 3.01Å
275F49.6Very low44.2Very low171 Ų171137.5 Ų137.575%0.7579%0.788SS**  trans-78.4101.4-176.7-84.6-89.3000112.5
276S43.8Very low44.6Very low69 Ų69137.9 Ų137.948%0.48379%0.79SS.*  trans-70147169.6177.70000112.1E274 Q278 D279E274-S276 PolarHBondContact O-N 3.01Å; S276-Q278 PolarHBondContact O-N 3.48Å; S276-Q278 PolarHBondContact OG-OE1 3.16Å; S276-Q278 VanDerWaalsContact OG-OE1 3.06Å; S276-D279 PolarHBondContact O-N 3.12Å
277K56.9Low45Very low206 Ų206141.1 Ų141.190%0.89679%0.792SS**THydrogen-bonded Turntrans-66.46.8-179.9-66.8-176.9177.41780115.3
278Q52.5Low45.5Very low170 Ų170142.7 Ų142.779%0.79479%0.794SS**THydrogen-bonded Turntrans-86.3-12.7178.1-71.2160.8-46.200113.1S276 F280S276-Q278 PolarHBondContact O-N 3.48Å; S276-Q278 PolarHBondContact OG-OE1 3.16Å; S276-Q278 VanDerWaalsContact OG-OE1 3.06Å; Q278-F280 PolarHBondContact O-N 2.74Å
279D55.2Low45.6Very low104 Ų104141 Ų14156%0.55679%0.793SS**SBendtrans-77.83.1-175.3-152.931.8000114.6S276S276-D279 PolarHBondContact O-N 3.12Å
280F61.7Low45.8Very low171 Ų171136.5 Ų136.575%0.7579%0.79SS**  trans-12580.8179.7-70.4-82.6000112.1Q278 A282Q278-F280 PolarHBondContact O-N 2.74Å; F280-A282 VanDerWaalsContact C-N 3.29Å; F280-A282 PolarHBondContact O-N 2.6Å
281P59.6Low45.7Very low124 Ų124138.1 Ų138.181%0.80579%0.789SS**  trans-71.783.4172.130.4-34.5000110.5
282A50.5Low45.3Very low92 Ų92138.9 Ų138.976%0.7679%0.789SS**  trans-63.9147179.400000112.5F280F280-A282 VanDerWaalsContact C-N 3.29Å; F280-A282 PolarHBondContact O-N 2.6Å
283L46.2Very low45.3Very low165 Ų165138.8 Ų138.886%0.86479%0.786SS**  trans-27.7136.4179.8-65160.5000115.8G285L283-G285 PolarHBondContact O-N 3.4Å
284P41.6Very low44.8Very low132 Ų132136.8 Ų136.886%0.85778%0.781SS**  trans-68.695.7-179.428.8-35.1000112
285G40.2Very low44.7Very low61 Ų61133.2 Ų133.263%0.62977%0.772SS**  trans-65.5129.5168.600000111.1L283 H287L283-G285 PolarHBondContact O-N 3.4Å; G285-H287 PolarHBondContact O-N 2.96Å
286S37.8Very low44.1Very low118 Ų118130.8 Ų130.883%0.82577%0.771SS**  trans-75.1105.2-175.455.80000112.4
287H42.5Very low43.8Very low184 Ų184133.8 Ų133.885%0.85279%0.787SS**  trans-128.3126.2167.4-75.4-72.2000111.6G285G285-H287 PolarHBondContact O-N 2.96Å
288Q40.5Very low42.9Very low190 Ų190128.7 Ų128.789%0.88878%0.777SS**  trans-77.1145.3169.5-65.9171.2-65.500109.8
289P38.3Very low42.2Very low135 Ų135126.5 Ų126.588%0.87778%0.775SS**  trans-77.9129.6177.831.1-33.5000111.6
290A39.2Very low41.1Very low102 Ų102127.5 Ų127.584%0.84379%0.786SS**  trans-132.1144.9164.900000109.1
291T37.7Very low39.9Very low136 Ų136125.6 Ų125.683%0.83479%0.793SS**  trans-93.5123.6-16146.30000114.3
292S33.2Very low38.6Very low99 Ų99124.9 Ų124.969%0.69279%0.791SS**  trans33.1116.1142.160.70000120.4
293T38.3Very low37.7Very low133 Ų133128.8 Ų128.882%0.81680%0.798SS**  -166.4119.511026.30000112.8
294T35.7Very low36.9Very low123 Ų123127.7 Ų127.776%0.75580%0.799SS**  trans52.6150.9131.2-31.80000123.1
295T38.1Very low36.5Very low113 Ų113127.9 Ų127.969%0.69380%0.797SS**  trans88.982.5153.417.60000121.5
296T36.6Very low36Very low119 Ų119131.5 Ų131.573%0.7380%0.802SS**  71.8117.1117.156.30000124.9
297V37.3Very low35.9Very low132 Ų132131 Ų13180%0.880%0.798SS**  trans63.5142.9144.9-107.20000124.5
298S37.5Very low35.4Very low100 Ų100127.8 Ų127.870%0.69979%0.792SS**  trans74.2141.3150.7-62.80000118.1
299T37.6Very low34.9Very low123 Ų123123.7 Ų123.776%0.75578%0.784SS**  cis-148.3165.51.2-8.10000112.6
300T33.6Very low34.8Very low126 Ų126122 Ų12277%0.77378%0.782SS**  trans-44.3137.6175.948.50000117.1
301S36.8Very low34.5Very low130 Ų130125.2 Ų125.291%0.90978%0.779SS**  trans-139114.1155.4-79.40000109.7
302S31.6Very low34.4Very low110 Ų110130.3 Ų130.377%0.76978%0.783SS**  trans-113.1128-175.854.30000111.9
303L31.6Very low34.5Very low173 Ų173130.7 Ų130.791%0.90679%0.786SS**  trans-139.9116167.3-75.8178.8000111.9
304T28.7Very low34.5Very low142 Ų142132.7 Ų132.787%0.87179%0.79SS**  trans-84.8139.3165.944.30000111
305V33.4Very low34.4Very low137 Ų137131.9 Ų131.983%0.8379%0.79SS**  trans-143.8136.9166.8-160.70000111
306N29.7Very low34.5Very low136 Ų136131.6 Ų131.673%0.72780%0.799SS**  trans-78.9144.8170.7-72.1-13.7000111.6
307S35.6Very low34.4Very low107 Ų107131.1 Ų131.175%0.74880%0.801SS**  trans-156.9109.4153.2-76.40000108.1
308T31.5Very low34.4Very low117 Ų117129.8 Ų129.872%0.71880%0.797SS**  43.9114.672.7660000115.3
309S31.3Very low34.2Very low104 Ų104132.1 Ų132.173%0.72780%0.8SS**  trans42.892.9152.659.10000118.1
310A35.5Very low34.2Very low99 Ų99132.9 Ų132.982%0.81881%0.805SS**  trans-123.697.1165.500000110.6
311H34.1Very low34.5Very low170 Ų170135.4 Ų135.479%0.78781%0.808SS**  trans-67.1130.7178.3-60.4-105.1000110.4S313H311-S313 PolarHBondContact O-N 3.09Å
312R34.6Very low34.6Very low243 Ų243135.2 Ų135.292%0.91780%0.801SS**  trans-85.289.5173.9-76.1-165.3177.6-149.91.2111.3L314R312-L314 PolarHBondContact O-N 2.82Å
313S35.8Very low34.7Very low108 Ų108136.4 Ų136.476%0.75581%0.807SS**  trans-60.8112.7170.6-52.10000111.5H311 S315H311-S313 PolarHBondContact O-N 3.09Å; S313-S315 PolarHBondContact O-N 3.46Å
314L38.5Very low35.1Very low174 Ų174132.8 Ų132.891%0.91180%0.802SS**  trans-92.582.5165.2-83.3168.7000109.6R312 A316R312-L314 PolarHBondContact O-N 2.82Å; L314-A316 PolarHBondContact O-N 3.41Å
315S34Very low35.5Very low107 Ų107131.3 Ų131.375%0.74880%0.797SS**  trans-73.190.7177.655.70000111.6S313 S317S313-S315 PolarHBondContact O-N 3.46Å; S315-S317 PolarHBondContact O-N 2.81Å
316A38.3Very low35.8Very low106 Ų106130.8 Ų130.888%0.87679%0.794SS**  trans-82.996.7171.100000110.6L314L314-A316 PolarHBondContact O-N 3.41Å
317S36.6Very low36Very low110 Ų110131.1 Ų131.177%0.76980%0.796SS**  trans-105.294.5-173.255.50000113.5S315S315-S317 PolarHBondContact O-N 2.81Å
318S37Very low36.1Very low103 Ų103130.7 Ų130.772%0.7279%0.793SS**  trans-160.7106158.357.90000115.2
319I33.6Very low36.2Very low150 Ų150135.1 Ų135.177%0.76980%0.797SS**  trans56.5101138.2-49.2166.2000117.9Q321I319-Q321 HydrophobicContact CG2-CG 4.4Å
320T36.9Very low36.4Very low139 Ų139140.3 Ų140.385%0.85380%0.8SS**  trans-123.3120.5147.345.20000109.3
321Q40Very low36.4Very low179 Ų179142.2 Ų142.284%0.83680%0.796SS**  trans-85.3129.8176.3-67.5-1790.200110.7I319I319-Q321 HydrophobicContact CG2-CG 4.4Å
322T38.4Very low36.4Very low125 Ų125142.7 Ų142.777%0.76780%0.796SS**  trans-99.6123176500000111.3A324T322-A324 PolarHBondContact O-N 3.3Å
323P34.4Very low36.6Very low136 Ų136136.1 Ų136.188%0.88379%0.788SS**  trans-86.9102.2169.332.5-29.8000110.4
324A39.3Very low36.8Very low97 Ų97137.9 Ų137.980%0.80278%0.784SS**  trans-101.4134.4167.500000110.2T322T322-A324 PolarHBondContact O-N 3.3Å
325S37.6Very low36.7Very low111 Ų111135.8 Ų135.878%0.77678%0.778SS**  trans-75.2145.1179.953.40000112.9
326T39.1Very low37.1Very low125 Ų125134.8 Ų134.877%0.76777%0.771SS**  -171.7143.5117.8-74.50000112.1
327N34.6Very low37.1Very low143 Ų143136.7 Ų136.777%0.76577%0.766SS**  trans-34.1134.6175.9-53.4-61.8000118.2
328S37.7Very low37.4Very low98 Ų98139.3 Ų139.369%0.68577%0.766SS**  174.2114.1100.1-79.20000117.2
329R33Very low37.5Very low211 Ų211139.5 Ų139.580%0.79676%0.763SS**  47.3129.7124.9-93.6-170.6-67.9-152.3-0.9122.5
330R36.2Very low37.7Very low212 Ų212140 Ų14080%0.877%0.766SS**  trans82.5147.6156.5-55.9180-163.2-102.29.6116.3
331L35.7Very low37.6Very low139 Ų139136.7 Ų136.773%0.72876%0.759SS**  cis-150177.1-8.7-144.372000112
332F34.2Very low37.9Very low180 Ų180134 Ų13479%0.78976%0.757SS**  trans-71.2157179.5-48.7-85000115.8
333S38.4Very low37.8Very low106 Ų106133.1 Ų133.174%0.74176%0.756SS**  trans175.6147.8142.4175.40000111
334H39.6Very low38.1Very low145 Ų145131.8 Ų131.867%0.67175%0.75SS**  cis-168.9146.1-34.6-87.5-49.1000108.7
335T37Very low38.1Very low130 Ų130133.5 Ų133.580%0.79875%0.75SS**  trans60.9154151520000120.3
336S41.3Very low38Very low85 Ų85138.4 Ų138.459%0.59475%0.752SS**  cis-165.6150.2-8.3-104.90000111.4
337N39.5Very low37.8Very low146 Ų146139.3 Ų139.378%0.78175%0.752SS**  trans53.8155.1145.6-53.2-12.3000119
338H41.1Very low37.9Very low166 Ų166141.4 Ų141.477%0.76976%0.757SS**  cis-168.6150.323.8-148.1-132.6000106.5
339V39.5Very low37.8Very low106 Ų106142.5 Ų142.564%0.64276%0.762SS**  cis-162.1-139.7-7.871.10000110.8
340L37.4Very low37.9Very low162 Ų162135.8 Ų135.885%0.84876%0.758SS**  trans-75.5169.9179.5-55.3135.5000112.8
341G35.1Very low37.8Very low68 Ų68137 Ų13770%0.70176%0.764SS**  cis-172.1-176.76.900000112.5
342P46.2Very low37.9Very low123 Ų123135.4 Ų135.480%0.79977%0.765SS**  trans-113177-151.741.5-36.9000118.9
343S37.1Very low38Very low107 Ų107135 Ų13575%0.74877%0.771SS**  trans79.2114.9162.6-54.90000117.7
344S40.4Very low38.1Very low108 Ų108136.1 Ų136.176%0.75577%0.773SS**  -177.4143.277-73.80000115.7
345V38.5Very low38.1Very low133 Ų133134.3 Ų134.381%0.80677%0.774SS**  trans68.4112.2135.7178.70000121.9
346R35.2Very low38.5Very low214 Ų214134.1 Ų134.181%0.80878%0.776SS**  trans83.3111.1137.2-173.5170-79.8-167.6-4.9122.2
347N34.9Very low38.6Very low143 Ų143139.7 Ų139.777%0.76579%0.789SS**  trans34.1120.7137-49.18.8000120.8
348Q38.4Very low38.4Very low187 Ų187138.5 Ų138.587%0.87479%0.792SS**  -158.6154.298.9-101.2-168.829.100111.3G350Q348-G350 PolarHBondContact O-N 3.05Å
349P35.6Very low38.6Very low122 Ų122136.9 Ų136.979%0.79279%0.793SS**  trans-86.9104.4178.733.2-31.1000111.8
350G34.1Very low38.7Very low69 Ų69134.5 Ų134.571%0.71179%0.791SS**  trans-103.1127.3173.800000112.3Q348Q348-G350 PolarHBondContact O-N 3.05Å
351Y34.8Very low39Very low237 Ų237131.7 Ų131.793%0.92979%0.785SS**  trans-65.5130176.8-65.9-97.8000111.6
352S37.9Very low39.8Very low107 Ų107131.5 Ų131.575%0.74877%0.772SS**  trans-144.4136.4162.859.90000110.9
353N34.9Very low40.1Very low171 Ų171133 Ų13391%0.91477%0.774SS**  trans-78.5127.6-174.1-71.9-36.2000111.2
354V42Very low41.3Very low130 Ų130129.8 Ų129.879%0.78876%0.757SS**  trans-111.2120.3161.8-175.40000107.3
355P39Very low42.7Very low106 Ų106128 Ų12869%0.68874%0.739SS**PPolyproline II helixtrans-69.8136.5-174.327.4-34000111.1K357P355-K357 PolarHBondContact O-N 3.12Å
356P46.2Very low44.3Very low127 Ų127125 Ų12583%0.82572%0.716SS**PPolyproline II helixtrans-65.9124.1172.827.5-32.7000109.3S358P356-S358 PolarHBondContact O-N 3.46Å
357K42.6Very low45.9Very low201 Ų201118.6 Ų118.687%0.87470%0.697SS**PPolyproline II helixtrans-58134.4173.2-66.9179.9179.2178.10109.1P355 V359P355-K357 PolarHBondContact O-N 3.12Å; K357-V359 PolarHBondContact O-N 3.23Å
358S36Very low47.7Very low121 Ų121114.8 Ų114.885%0.84668%0.676SS**  trans-62.896.8-177.155.60000111.8P356 G360P356-S358 PolarHBondContact O-N 3.46Å; S358-G360 PolarHBondContact O-N 3.04Å
359V44.3Very low49Very low132 Ų132112.3 Ų112.380%0.868%0.677SS**  trans-63.8119.6161.31790000106.5K357 S361K357-V359 PolarHBondContact O-N 3.23Å; V359-S361 PolarHBondContact O-N 2.76Å
360G40.8Very low50.6Low57 Ų57110.7 Ų110.759%0.58866%0.661SS**  trans-58.8133.5-175.900000111.7S358 S362S358-G360 PolarHBondContact O-N 3.04Å; G360-S362 VanDerWaalsContact C-N 3.29Å; G360-S362 PolarHBondContact O-N 3.27Å
361S45.5Very low52.1Low103 Ų103111.1 Ų111.172%0.7265%0.645SS**  trans-6585.3-177.4-57.70000111.8V359 N363V359-S361 PolarHBondContact O-N 2.76Å; S361-N363 WeakPolarHBondContact CB-OD1 3.41Å; S361-N363 PolarHBondContact O-N 3.34Å
362S50.1Low53.7Low63 Ų63104.5 Ų104.544%0.44163%0.625SS.*  trans-7371.8170.342.40000109.3G360 G364 Q366G360-S362 VanDerWaalsContact C-N 3.29Å; G360-S362 PolarHBondContact O-N 3.27Å; S362-G364 PolarHBondContact O-N 3.01Å; S362-Q366 VanDerWaalsContact CB-NE2 3.26Å; S362-Q366 PolarHBondContact O-NE2 2.87Å; S362-Q366 VanDerWaalsContact O-NE2 3.1Å; S362-Q366 PolarHBondContact OG-NE2 2.8Å
363N52.6Low55.3Low156 Ų156100.8 Ų100.883%0.83460%0.597SS**  trans-66.424.2-179.3-68.5-14.2000114S361S361-N363 WeakPolarHBondContact CB-OD1 3.41Å; S361-N363 PolarHBondContact O-N 3.34Å
364G64.2Low57.2Low38 Ų3895 Ų9539%0.39257%0.569SS.*SBendtrans-119.8152.7178.200000111.3S362 Q366S362-G364 PolarHBondContact O-N 3.01Å; G364-Q366 PolarHBondContact O-N 3.36Å; G364-Q366 PolarHBondContact O-NE2 2.78Å
365I69.7Low58.8Low72 Ų7293.3 Ų93.337%0.36956%0.555SS.*  trans-55.5124.9176.9-59.3168.4000109.3V373 M380 L388I365-V373 HydrophobicContact CG2-CG1 3.27Å; I365-M380 HydrophobicContact CD1-CE 3.95Å; I365-M380 HydrophobicContact CD1-SD 3.5Å; I365-M380 WeakPolarHBondContact CD1-SD 3.3Å; I365-M380 HydrophobicContact CG1-SD 4.46Å; I365-L388 HydrophobicContact CG2-CD1 4.21Å
366Q70.7Confident60.5Low70 Ų7090.8 Ų90.833%0.32754%0.535SS..EExtended strand (participates in β ladder)trans-117.5122.5-174.9-90164.277.100111.4S362 G364 L368 V373 T374 N375S362-Q366 VanDerWaalsContact CB-NE2 3.26Å; S362-Q366 PolarHBondContact O-NE2 2.87Å; S362-Q366 VanDerWaalsContact O-NE2 3.1Å; S362-Q366 PolarHBondContact OG-NE2 2.8Å; G364-Q366 PolarHBondContact O-N 3.36Å; G364-Q366 PolarHBondContact O-NE2 2.78Å; Q366-L368 HydrophobicContact CB-CD1 4.41Å; Q366-V373 CarbonylContact O-C 3.54Å; Q366-V373 VanDerWaalsContact O-CA 3.31Å; Q366-V373 WeakPolarHBondContact O-CA 3.41Å; Q366-V373 WeakPolarHBondContact O-CG1 3.41Å; Q366-T374 WeakPolarHBondContact CB-OG1 3.5Å; Q366-T374 PolarHBondContact N-O 3.08Å; Q366-T374 PolarHBondContact O-N 3.27Å; Q366-T374 PolarHBondContact O-OG1 3.28Å; Q366-N375 PolarHBondContact NE2-ND2 3.16Å
367L68.7Low62Low78 Ų7887.4 Ų87.441%0.40851%0.513SS..EExtended strand (participates in β ladder)trans-92.5120.5174.9-70.388.9000109.1V373 L391 R395L367-V373 HydrophobicContact CD1-CG1 4.29Å; L367-V373 HydrophobicContact CD2-CG2 4.36Å; L367-V373 HydrophobicContact CG-CG1 4.07Å; L367-V373 HydrophobicContact CG-CG2 4.07Å; L367-L391 HydrophobicContact CD1-CD2 3.59Å; L367-L391 HydrophobicContact CD2-CD2 3.75Å; L367-L391 HydrophobicContact CD2-CG 3.78Å; L367-L391 HydrophobicContact CG-CD2 4.28Å; L367-R395 HydrophobicContact CD2-CG 4.25Å
368L72.5Confident63.5Low64 Ų6488.4 Ų88.434%0.33552%0.517SS..  trans-87.9153.9176.5-81.358.4000109.6Q366 N370 H371 L372 T374Q366-L368 HydrophobicContact CB-CD1 4.41Å; L368-N370 WeakPolarHBondContact CB-OD1 3.17Å; L368-N370 PolarHBondContact O-N 3.04Å; L368-H371 PolarHBondContact O-N 3.3Å; L368-H371 VanDerWaalsContact O-N 3.11Å; L368-L372 PolarHBondContact N-O 3.3Å; L368-T374 HydrophobicContact CD1-CG2 3.79Å; L368-T374 WeakPolarHBondContact CD1-OG1 3.36Å; L368-T374 HydrophobicContact CD2-CG2 4.09Å
369P66.6Low65.7Low135 Ų13589.8 Ų89.888%0.87752%0.516SS*.THydrogen-bonded Turntrans-61.72.1178.5-24.935.3000116.3
370N69.8Low67.3Low88 Ų8885.8 Ų85.847%0.47149%0.488SS..THydrogen-bonded Turntrans-107.819.5177.162.53.2000112.7L368 L372L368-N370 WeakPolarHBondContact CB-OD1 3.17Å; L368-N370 PolarHBondContact O-N 3.04Å; N370-L372 PolarHBondContact O-N 3.15Å; N370-L372 VanDerWaalsContact OD1-CB 3.3Å; N370-L372 WeakPolarHBondContact OD1-CB 3.5Å; N370-L372 WeakPolarHBondContact OD1-CG 3.32Å; N370-L372 PolarHBondContact OD1-N 3.16Å; N370-L372 VanDerWaalsContact OD1-N 3.17Å
371H65.6Low69.2Low78 Ų7887.8 Ų87.836%0.36149%0.485SS..SBendtrans58.911.6-176-44.3-94.9000115.3L368 Y399L368-H371 PolarHBondContact O-N 3.3Å; L368-H371 VanDerWaalsContact O-N 3.11Å; H371-Y399 AromaticContact CE1-CD2 3.63Å; H371-Y399 AromaticContact CE1-CE2 3.5Å; H371-Y399 VanDerWaalsContact CE1-CE2 3.5Å; H371-Y399 WeakPolarHBondContact CE1-CE2 3.07Å
372L68.5Low70.7Confident98 Ų9885.7 Ų85.751%0.51347%0.469SS..  trans-84.5145.8167.9-56.2-176.6000109.6L368 N370L368-L372 PolarHBondContact N-O 3.3Å; N370-L372 PolarHBondContact O-N 3.15Å; N370-L372 VanDerWaalsContact OD1-CB 3.3Å; N370-L372 WeakPolarHBondContact OD1-CB 3.5Å; N370-L372 WeakPolarHBondContact OD1-CG 3.32Å; N370-L372 PolarHBondContact OD1-N 3.16Å; N370-L372 VanDerWaalsContact OD1-N 3.17Å
373V71.3Confident72.1Confident29 Ų2986.1 Ų86.118%0.17647%0.467CS..EExtended strand (participates in β ladder)trans-116.7130.8177.1-161.40000109.2I365 Q366 L367 I376 L388I365-V373 HydrophobicContact CG2-CG1 3.27Å; Q366-V373 CarbonylContact O-C 3.54Å; Q366-V373 VanDerWaalsContact O-CA 3.31Å; Q366-V373 WeakPolarHBondContact O-CA 3.41Å; Q366-V373 WeakPolarHBondContact O-CG1 3.41Å; L367-V373 HydrophobicContact CD1-CG1 4.29Å; L367-V373 HydrophobicContact CD2-CG2 4.36Å; L367-V373 HydrophobicContact CG-CG1 4.07Å; L367-V373 HydrophobicContact CG-CG2 4.07Å; V373-I376 HydrophobicContact CB-CD1 4.4Å; V373-I376 HydrophobicContact CB-CG1 4.45Å; V373-I376 HydrophobicContact CG1-CG1 4.38Å; V373-I376 WeakPolarHBondContact O-CD1 3.38Å; V373-L388 HydrophobicContact CB-CD1 3.83Å; V373-L388 HydrophobicContact CB-CG 4.41Å; V373-L388 HydrophobicContact CG1-CD1 3.67Å; V373-L388 HydrophobicContact CG2-CD1 3.98Å; V373-L388 HydrophobicContact CG2-CG 4.25Å
374T73.5Confident73.3Confident50 Ų5083.7 Ų83.731%0.30745%0.45SS..EExtended strand (participates in β ladder)trans-114167.6-179.560.90000110.9Q366 L368 I376Q366-T374 WeakPolarHBondContact CB-OG1 3.5Å; Q366-T374 PolarHBondContact N-O 3.08Å; Q366-T374 PolarHBondContact O-N 3.27Å; Q366-T374 PolarHBondContact O-OG1 3.28Å; L368-T374 HydrophobicContact CD1-CG2 3.79Å; L368-T374 WeakPolarHBondContact CD1-OG1 3.36Å; L368-T374 HydrophobicContact CD2-CG2 4.09Å; T374-I376 VanDerWaalsContact C-N 3.25Å; T374-I376 PolarHBondContact O-N 3.09Å
375N77.1Confident74.4Confident93 Ų9390 Ų9050%0.49747%0.468SS..SBendtrans56.537.2-178.2-59.4-38.2000113.7Q366 P377Q366-N375 PolarHBondContact NE2-ND2 3.16Å; N375-P377 WeakPolarHBondContact O-CD 3.36Å
376I74.4Confident75.2Confident53 Ų5386.9 Ų86.927%0.27245%0.453SS..  trans-74.7123.3173.1-50.1157.2000108.8V373 T374 M380 C382 L388V373-I376 HydrophobicContact CB-CD1 4.4Å; V373-I376 HydrophobicContact CB-CG1 4.45Å; V373-I376 HydrophobicContact CG1-CG1 4.38Å; V373-I376 WeakPolarHBondContact O-CD1 3.38Å; T374-I376 VanDerWaalsContact C-N 3.25Å; T374-I376 PolarHBondContact O-N 3.09Å; I376-M380 HydrophobicContact CG2-CB 4.1Å; I376-M380 HydrophobicContact CG2-CG 4.26Å; I376-M380 HydrophobicContact CG2-SD 3.86Å; I376-C382 VanDerWaalsContact CG2-SG 3.53Å; I376-L388 HydrophobicContact CD1-CD1 4.33Å; I376-L388 HydrophobicContact CD1-CD2 3.54Å; I376-L388 HydrophobicContact CG1-CD1 4.09Å; I376-L388 HydrophobicContact CG1-CD2 4.17Å
377P76.9Confident75.8Confident57 Ų5790 Ų9037%0.3747%0.469SS..  trans-63.2143.1177-24.936.4000112.9N375 N379 M380N375-P377 WeakPolarHBondContact O-CD 3.36Å; P377-N379 WeakPolarHBondContact CB-OD1 3.43Å; P377-N379 PolarHBondContact O-N 3.07Å; P377-N379 VanDerWaalsContact O-N 3.09Å; P377-M380 HydrophobicContact CB-CB 4.38Å; P377-M380 VanDerWaalsContact O-CB 3.31Å; P377-M380 WeakPolarHBondContact O-CB 3.41Å; P377-M380 PolarHBondContact O-N 3.39Å
378K75.8Confident76.5Confident221 Ų22187.2 Ų87.296%0.96145%0.454SS*.THydrogen-bonded Turntrans-63.9-15.8-178.2-68.6-174178.7-178.50114.8
379N80.9Confident77Confident151 Ų15184.8 Ų84.881%0.80745%0.445SS*.THydrogen-bonded Turntrans-95.72.9175.764.9-43.4000113.3P377P377-N379 WeakPolarHBondContact CB-OD1 3.43Å; P377-N379 PolarHBondContact O-N 3.07Å; P377-N379 VanDerWaalsContact O-N 3.09Å
380M78.1Confident77.9Confident47 Ų4782.1 Ų82.123%0.23242%0.423CS..SBendtrans-93.2145.3178-175.5176.2173.100110.9I365 I376 P377 C382 M387 L388I365-M380 HydrophobicContact CD1-CE 3.95Å; I365-M380 HydrophobicContact CD1-SD 3.5Å; I365-M380 WeakPolarHBondContact CD1-SD 3.3Å; I365-M380 HydrophobicContact CG1-SD 4.46Å; I376-M380 HydrophobicContact CG2-CB 4.1Å; I376-M380 HydrophobicContact CG2-CG 4.26Å; I376-M380 HydrophobicContact CG2-SD 3.86Å; P377-M380 HydrophobicContact CB-CB 4.38Å; P377-M380 VanDerWaalsContact O-CB 3.31Å; P377-M380 WeakPolarHBondContact O-CB 3.41Å; P377-M380 PolarHBondContact O-N 3.39Å; M380-C382 PolarHBondContact O-N 2.9Å; M380-C382 PolarHBondContact O-SG 3.38Å; M380-C382 VanDerWaalsContact O-SG 3.38Å; M380-M387 HydrophobicContact CE-CB 4.02Å; M380-L388 HydrophobicContact CE-CB 4.06Å; M380-L388 HydrophobicContact CE-CD1 4.14Å
381I81.1Confident78.5Confident100 Ų10080.8 Ų80.851%0.51342%0.415SS..  trans-68.8111.7171.3-58.3176.3000108.9D383I381-D383 VanDerWaalsContact CG2-CG 3.43Å; I381-D383 VanDerWaalsContact CG2-OD1 3.23Å; I381-D383 WeakPolarHBondContact CG2-OD1 3.5Å; I381-D383 WeakPolarHBondContact CG2-OD2 3.14Å
382C76.6Confident79.1Confident58 Ų5879.8 Ų79.839%0.39241%0.41SS..  trans-91.9-2.3-176.2-650000114.3I376 M380I376-C382 VanDerWaalsContact CG2-SG 3.53Å; M380-C382 PolarHBondContact O-N 2.9Å; M380-C382 PolarHBondContact O-SG 3.38Å; M380-C382 VanDerWaalsContact O-SG 3.38Å
383D79.5Confident79.6Confident72 Ų7278.3 Ų78.339%0.38540%0.402SS..SBendtrans-88.7-170.2-178.565.345.3000112.8I381 F385 G386I381-D383 VanDerWaalsContact CG2-CG 3.43Å; I381-D383 VanDerWaalsContact CG2-OD1 3.23Å; I381-D383 WeakPolarHBondContact CG2-OD1 3.5Å; I381-D383 WeakPolarHBondContact CG2-OD2 3.14Å; D383-F385 VanDerWaalsContact C-N 3.32Å; D383-F385 PolarHBondContact O-N 3.06Å; D383-F385 WeakPolarHBondContact OD1-CA 3.39Å; D383-F385 WeakPolarHBondContact OD1-CB 3.35Å; D383-F385 PolarHBondContact OD1-N 3.2Å; D383-G386 PolarHBondContact OD1-N 3.38Å
384Q78.7Confident80.1Confident105 Ų10579.4 Ų79.449%0.49141%0.407SS..SBendtrans-72.5-17.5-178.468.9-175.228.100114.9
385F85.6Confident80.3Confident172 Ų17282.6 Ų82.675%0.75441%0.413SS*.SBendtrans-93.7-18.2180-52-72.6000112.2D383D383-F385 VanDerWaalsContact C-N 3.32Å; D383-F385 PolarHBondContact O-N 3.06Å; D383-F385 WeakPolarHBondContact OD1-CA 3.39Å; D383-F385 WeakPolarHBondContact OD1-CB 3.35Å; D383-F385 PolarHBondContact OD1-N 3.2Å
386G86.3Confident80Confident6 Ų679.6 Ų79.66%0.06240%0.398CS..SBendtrans-70.1166.2170.500000113.6D383 L388 G389 L390D383-G386 PolarHBondContact OD1-N 3.38Å; G386-L388 PolarHBondContact O-N 3.2Å; G386-G389 WeakPolarHBondContact O-CA 3.29Å; G386-G389 PolarHBondContact O-N 2.9Å; G386-L390 PolarHBondContact O-N 3.08Å
387M84Confident79.6Confident134 Ų13477.2 Ų77.266%0.6639%0.386SS*.Hα-helixtrans-54.7-22.7173.3-70.6-63-6400113.4M380 L390 L391M380-M387 HydrophobicContact CE-CB 4.02Å; M387-L390 HydrophobicContact CE-CD2 4.12Å; M387-L390 HydrophobicContact SD-CD2 4.11Å; M387-L391 WeakPolarHBondContact O-CB 3.38Å; M387-L391 PolarHBondContact O-N 3.04Å
388L83.5Confident79.2Confident20 Ų2078.6 Ų78.611%0.10539%0.391CS..Hα-helixtrans-66.6-42.8173.2-152.976000112.1I365 V373 I376 M380 G386 K392I365-L388 HydrophobicContact CG2-CD1 4.21Å; V373-L388 HydrophobicContact CB-CD1 3.83Å; V373-L388 HydrophobicContact CB-CG 4.41Å; V373-L388 HydrophobicContact CG1-CD1 3.67Å; V373-L388 HydrophobicContact CG2-CD1 3.98Å; V373-L388 HydrophobicContact CG2-CG 4.25Å; I376-L388 HydrophobicContact CD1-CD1 4.33Å; I376-L388 HydrophobicContact CD1-CD2 3.54Å; I376-L388 HydrophobicContact CG1-CD1 4.09Å; I376-L388 HydrophobicContact CG1-CD2 4.17Å; M380-L388 HydrophobicContact CE-CB 4.06Å; M380-L388 HydrophobicContact CE-CD1 4.14Å; G386-L388 PolarHBondContact O-N 3.2Å; L388-K392 VanDerWaalsContact O-CB 3.32Å; L388-K392 WeakPolarHBondContact O-CB 3.32Å; L388-K392 PolarHBondContact O-N 3.42Å
389G83.4Confident79Confident13 Ų1376.4 Ų76.413%0.13438%0.377CS..Hα-helixtrans-64.9-45.9175.100000112G386 L391 K392 L393G386-G389 WeakPolarHBondContact O-CA 3.29Å; G386-G389 PolarHBondContact O-N 2.9Å; G389-L391 PolarHBondContact O-N 3.31Å; G389-K392 PolarHBondContact O-N 2.92Å; G389-L393 WeakPolarHBondContact O-CB 3.15Å; G389-L393 PolarHBondContact O-N 2.72Å
390L84.6Confident78.4Confident80 Ų8072.1 Ų72.142%0.41936%0.355SS..Hα-helixtrans-57.3-48.617417660.6000111.9G386 M387 K392 L393 I394G386-L390 PolarHBondContact O-N 3.08Å; M387-L390 HydrophobicContact CE-CD2 4.12Å; M387-L390 HydrophobicContact SD-CD2 4.11Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-K392 PolarHBondContact O-N 3.13Å; L390-L393 WeakPolarHBondContact O-CB 3.29Å; L390-L393 PolarHBondContact O-N 3Å; L390-I394 HydrophobicContact CD1-CD1 4.07Å; L390-I394 HydrophobicContact CD1-CG1 4.39Å; L390-I394 HydrophobicContact CG-CD1 4.08Å; L390-I394 WeakPolarHBondContact O-CG1 3.35Å; L390-I394 PolarHBondContact O-N 2.86Å
391L82.3Confident78.1Confident60 Ų6073.5 Ų73.531%0.31437%0.374SS..Hα-helixtrans-68.8-33.3-179.4-173.758.1000112.4L367 M387 G389 R395L367-L391 HydrophobicContact CD1-CD2 3.59Å; L367-L391 HydrophobicContact CD2-CD2 3.75Å; L367-L391 HydrophobicContact CD2-CG 3.78Å; L367-L391 HydrophobicContact CG-CD2 4.28Å; M387-L391 WeakPolarHBondContact O-CB 3.38Å; M387-L391 PolarHBondContact O-N 3.04Å; G389-L391 PolarHBondContact O-N 3.31Å; L391-R395 HydrophobicContact CD1-CG 4.43Å; L391-R395 VanDerWaalsContact O-CB 3.32Å; L391-R395 WeakPolarHBondContact O-CB 3.44Å; L391-R395 VanDerWaalsContact O-CG 3.28Å; L391-R395 WeakPolarHBondContact O-CG 3.4Å; L391-R395 PolarHBondContact O-N 2.83Å
392K78.2Confident77.6Confident57 Ų5773.5 Ų73.525%0.24838%0.378CS..Hα-helixtrans-64.2-42169.9-174.6179.4179.8-1770111.2V245 L388 G389 L390 R395 V396V245-K392 PolarHBondContact O-NZ 2.73Å; L388-K392 VanDerWaalsContact O-CB 3.32Å; L388-K392 WeakPolarHBondContact O-CB 3.32Å; L388-K392 PolarHBondContact O-N 3.42Å; G389-K392 PolarHBondContact O-N 2.92Å; L390-K392 VanDerWaalsContact C-N 3.34Å; L390-K392 PolarHBondContact O-N 3.13Å; K392-R395 CarbonylContact O-C 3.57Å; K392-R395 PolarHBondContact O-N 3.46Å; K392-V396 HydrophobicContact CG-CG2 4.31Å; K392-V396 WeakPolarHBondContact O-CB 3.46Å; K392-V396 WeakPolarHBondContact O-CG2 3.42Å; K392-V396 PolarHBondContact O-N 2.76Å
393L79.8Confident77.1Confident66 Ų6672.9 Ų72.935%0.34637%0.371SS..Hα-helixtrans-63.6-46.5178.5-174.863.4000111.5G389 L390 R395 V396 G397 L403 A407G389-L393 WeakPolarHBondContact O-CB 3.15Å; G389-L393 PolarHBondContact O-N 2.72Å; L390-L393 WeakPolarHBondContact O-CB 3.29Å; L390-L393 PolarHBondContact O-N 3Å; L393-R395 VanDerWaalsContact C-N 3.34Å; L393-R395 PolarHBondContact O-N 3.44Å; L393-V396 PolarHBondContact O-N 2.76Å; L393-G397 PolarHBondContact O-N 3.37Å; L393-L403 HydrophobicContact CD1-CB 4.43Å; L393-L403 HydrophobicContact CD1-CD1 4.41Å; L393-L403 HydrophobicContact CD1-CD2 4.28Å; L393-A407 HydrophobicContact CB-CB 4.47Å; L393-A407 HydrophobicContact CD2-CB 3.77Å; L393-A407 HydrophobicContact CG-CB 3.68Å
394I81.7Confident76.6Confident53 Ų5372.6 Ų72.627%0.27237%0.369SS..Hα-helixtrans-57.4-46.6173.3-66.1164.9000110.7L390 V396 G397 A407L390-I394 HydrophobicContact CD1-CD1 4.07Å; L390-I394 HydrophobicContact CD1-CG1 4.39Å; L390-I394 HydrophobicContact CG-CD1 4.08Å; L390-I394 WeakPolarHBondContact O-CG1 3.35Å; L390-I394 PolarHBondContact O-N 2.86Å; I394-V396 VanDerWaalsContact C-N 3.27Å; I394-V396 PolarHBondContact O-N 2.89Å; I394-G397 PolarHBondContact O-N 3.4Å; I394-A407 HydrophobicContact CG1-CB 4.2Å
395R77.5Confident76.3Confident116 Ų11673.3 Ų73.344%0.43837%0.374SS..Hα-helixtrans-76.7-5.8179.9-70-77.9164.4-111-3.4115.1L367 L391 K392 L393 D398 Y399L367-R395 HydrophobicContact CD2-CG 4.25Å; L391-R395 HydrophobicContact CD1-CG 4.43Å; L391-R395 VanDerWaalsContact O-CB 3.32Å; L391-R395 WeakPolarHBondContact O-CB 3.44Å; L391-R395 VanDerWaalsContact O-CG 3.28Å; L391-R395 WeakPolarHBondContact O-CG 3.4Å; L391-R395 PolarHBondContact O-N 2.83Å; K392-R395 CarbonylContact O-C 3.57Å; K392-R395 PolarHBondContact O-N 3.46Å; L393-R395 VanDerWaalsContact C-N 3.34Å; L393-R395 PolarHBondContact O-N 3.44Å; R395-D398 WeakPolarHBondContact CD-OD2 3.45Å; R395-D398 IonicContact CZ-OD2 3.75Å; R395-D398 IonicContact NH1-OD1 3.75Å; R395-D398 IonicContact NH1-OD2 2.75Å; R395-D398 PolarHBondContact NH1-OD2 3.44Å; R395-Y399 WeakPolarHBondContact O-CD2 3.49Å
396V70.3Confident75.9Confident31 Ų3171.4 Ų71.419%0.18837%0.371CS..Hα-helixtrans-97.4-27.7169.4167.60000110.1K392 L393 I394 D398 Y399 D400 L403K392-V396 HydrophobicContact CG-CG2 4.31Å; K392-V396 WeakPolarHBondContact O-CB 3.46Å; K392-V396 WeakPolarHBondContact O-CG2 3.42Å; K392-V396 PolarHBondContact O-N 2.76Å; L393-V396 PolarHBondContact O-N 2.76Å; I394-V396 VanDerWaalsContact C-N 3.27Å; I394-V396 PolarHBondContact O-N 2.89Å; V396-D398 PolarHBondContact O-N 3.02Å; V396-Y399 PolarHBondContact O-N 2.69Å; V396-D400 HydrophobicContact CG1-CB 4.38Å; V396-D400 PolarHBondContact O-N 2.95Å; V396-L403 HydrophobicContact CG1-CD1 3.59Å
397G66.5Low75.2Confident2 Ų272.8 Ų72.82%0.02138%0.382CS..Hα-helixtrans-56.1-33.5167.500000113.2L393 I394 Y399 N404L393-G397 PolarHBondContact O-N 3.37Å; I394-G397 PolarHBondContact O-N 3.4Å; G397-Y399 PolarHBondContact O-N 3.33Å; G397-N404 WeakPolarHBondContact O-CB 3.46Å; G397-N404 PolarHBondContact O-OD1 3.41Å
398D69.7Low75Confident87 Ų8769.7 Ų69.747%0.46537%0.372SS..THydrogen-bonded Turntrans-57.1-11.6170.9-64.1-40.5000114R395 V396R395-D398 WeakPolarHBondContact CD-OD2 3.45Å; R395-D398 IonicContact CZ-OD2 3.75Å; R395-D398 IonicContact NH1-OD1 3.75Å; R395-D398 IonicContact NH1-OD2 2.75Å; R395-D398 PolarHBondContact NH1-OD2 3.44Å; V396-D398 PolarHBondContact O-N 3.02Å
399Y70.2Confident74.8Confident174 Ų17470.4 Ų70.468%0.68238%0.384SS*.THydrogen-bonded Turntrans-133.5-29-174.7-61.9-93.9000115.2H371 R395 V396 G397H371-Y399 AromaticContact CE1-CD2 3.63Å; H371-Y399 AromaticContact CE1-CE2 3.5Å; H371-Y399 VanDerWaalsContact CE1-CE2 3.5Å; H371-Y399 WeakPolarHBondContact CE1-CE2 3.07Å; R395-Y399 WeakPolarHBondContact O-CD2 3.49Å; V396-Y399 PolarHBondContact O-N 2.69Å; G397-Y399 PolarHBondContact O-N 3.33Å
400D69.7Low74.5Confident62 Ų6273.9 Ų73.933%0.33240%0.399SS..  trans-110.7108.3174.6-178.8-12.6000109.4V396 T402 L403 N404V396-D400 HydrophobicContact CG1-CB 4.38Å; V396-D400 PolarHBondContact O-N 2.95Å; D400-T402 PolarHBondContact O-N 2.81Å; D400-T402 VanDerWaalsContact O-N 3.13Å; D400-T402 WeakPolarHBondContact OD1-CA 3.48Å; D400-T402 WeakPolarHBondContact OD1-CB 3.17Å; D400-T402 PolarHBondContact OD1-N 3.04Å; D400-T402 PolarHBondContact OD1-OG1 3.48Å; D400-L403 HydrophobicContact CB-CB 4.22Å; D400-L403 HydrophobicContact CB-CD1 4.23Å; D400-L403 HydrophobicContact CB-CG 4.24Å; D400-L403 PolarHBondContact O-N 3.47Å; D400-N404 PolarHBondContact O-N 3.48Å
401A70.9Confident74.3Confident76 Ų7674.5 Ų74.563%0.62840%0.403SS*.Hα-helixtrans-54.6-31.918000000113.2N404 M405A401-N404 WeakPolarHBondContact O-CB 3.48Å; A401-M405 PolarHBondContact O-N 2.87Å
402T69.7Low73.9Confident99 Ų9976.6 Ų76.661%0.60741%0.414SS*.Hα-helixtrans-66.5-42.1177.6-25.70000111.4D400D400-T402 PolarHBondContact O-N 2.81Å; D400-T402 VanDerWaalsContact O-N 3.13Å; D400-T402 WeakPolarHBondContact OD1-CA 3.48Å; D400-T402 WeakPolarHBondContact OD1-CB 3.17Å; D400-T402 PolarHBondContact OD1-N 3.04Å; D400-T402 PolarHBondContact OD1-OG1 3.48Å
403L66.8Low73.8Confident46 Ų4677.8 Ų77.824%0.24143%0.429CS..Hα-helixtrans-82.5-24.1-179.7-61.3179000112L393 V396 D400 M405 L406 A407L393-L403 HydrophobicContact CD1-CB 4.43Å; L393-L403 HydrophobicContact CD1-CD1 4.41Å; L393-L403 HydrophobicContact CD1-CD2 4.28Å; V396-L403 HydrophobicContact CG1-CD1 3.59Å; D400-L403 HydrophobicContact CB-CB 4.22Å; D400-L403 HydrophobicContact CB-CD1 4.23Å; D400-L403 HydrophobicContact CB-CG 4.24Å; D400-L403 PolarHBondContact O-N 3.47Å; L403-M405 VanDerWaalsContact C-N 3.28Å; L403-M405 PolarHBondContact O-N 3.05Å; L403-L406 HydrophobicContact CD2-CD1 4.08Å; L403-L406 PolarHBondContact O-N 3.17Å; L403-L406 VanDerWaalsContact O-N 3.07Å; L403-A407 PolarHBondContact O-N 2.85Å
404N69.4Low73.2Confident66 Ų6678.2 Ų78.235%0.35344%0.438SS..Hα-helixtrans-58.1-42.3171.2-152.719000111.2G397 D400 A401 L406 P408 G409G397-N404 WeakPolarHBondContact O-CB 3.46Å; G397-N404 PolarHBondContact O-OD1 3.41Å; D400-N404 PolarHBondContact O-N 3.48Å; A401-N404 WeakPolarHBondContact O-CB 3.48Å; N404-L406 PolarHBondContact O-N 3.29Å; N404-P408 WeakPolarHBondContact O-CB 3.45Å; N404-P408 VanDerWaalsContact O-CD 3.24Å; N404-P408 WeakPolarHBondContact O-CD 3.33Å; N404-P408 WeakPolarHBondContact OD1-CG 3.24Å; N404-G409 PolarHBondContact O-N 2.86Å
405M71.9Confident72.4Confident120 Ų12079.4 Ų79.459%0.59144%0.444SS*.THydrogen-bonded Turntrans-69-16.7176.1-66.3-175.171.100114.3A401 L403 G409 L410A401-M405 PolarHBondContact O-N 2.87Å; L403-M405 VanDerWaalsContact C-N 3.28Å; L403-M405 PolarHBondContact O-N 3.05Å; M405-G409 WeakPolarHBondContact O-CA 3.29Å; M405-L410 HydrophobicContact CE-CD2 4.32Å
406L77.1Confident71.6Confident132 Ų13274.4 Ų74.469%0.69143%0.426SS*.THydrogen-bonded Turntrans-99.5-27.9-173.3-67.2-178.6000115L403 N404L403-L406 HydrophobicContact CD2-CD1 4.08Å; L403-L406 PolarHBondContact O-N 3.17Å; L403-L406 VanDerWaalsContact O-N 3.07Å; N404-L406 PolarHBondContact O-N 3.29Å
407A72.8Confident71Confident35 Ų3576.2 Ų76.229%0.28944%0.44SS..THydrogen-bonded Turntrans-117.9-50.7-177.200000114L393 I394 L403 G409L393-A407 HydrophobicContact CB-CB 4.47Å; L393-A407 HydrophobicContact CD2-CB 3.77Å; L393-A407 HydrophobicContact CG-CB 3.68Å; I394-A407 HydrophobicContact CG1-CB 4.2Å; L403-A407 PolarHBondContact O-N 2.85Å; A407-G409 VanDerWaalsContact C-N 3.32Å
408P78.2Confident70.5Confident68 Ų6879 Ų7944%0.44245%0.454SS..THydrogen-bonded Turntrans-63.4-36.4160.9-27.936.4000113.3N404N404-P408 WeakPolarHBondContact O-CB 3.45Å; N404-P408 VanDerWaalsContact O-CD 3.24Å; N404-P408 WeakPolarHBondContact O-CD 3.33Å; N404-P408 WeakPolarHBondContact OD1-CG 3.24Å
409G79.6Confident70.1Confident35 Ų3581.2 Ų81.236%0.36146%0.456SS..  trans86.4-165.5-178.800000113.1N404 M405 A407N404-G409 PolarHBondContact O-N 2.86Å; M405-G409 WeakPolarHBondContact O-CA 3.29Å; A407-G409 VanDerWaalsContact C-N 3.32Å
410L78.8Confident69.5Low86 Ų8681.3 Ų81.345%0.4546%0.463SS..  trans-129.5141.6173.5179.663.7000109M405 L412 L415M405-L410 HydrophobicContact CE-CD2 4.32Å; L410-L412 PolarHBondContact O-N 2.73Å; L410-L415 HydrophobicContact CD2-CD1 4.16Å; L410-L415 HydrophobicContact CD2-CD2 3.96Å; L410-L415 HydrophobicContact CD2-CG 4.12Å
411D79.1Confident69.1Low94 Ų9482.1 Ų82.150%0.50347%0.47SS..  trans-70.8101.1170.5176.524000109.9S413 S414D411-S413 PolarHBondContact O-N 3.12Å; D411-S413 WeakPolarHBondContact OD1-CB 3.41Å; D411-S413 PolarHBondContact OD1-N 3.45Å; D411-S413 PolarHBondContact OD1-OG 3.02Å; D411-S414 WeakPolarHBondContact O-CB 3.16Å; D411-S414 PolarHBondContact O-N 2.76Å; D411-S414 PolarHBondContact O-OG 3.04Å
412L75.3Confident68.9Low104 Ų10484.9 Ų84.955%0.54548%0.482SS..Hα-helixtrans-61.7-22.9179-54.8-178.8000112.4L410 S414 L415 W419L410-L412 PolarHBondContact O-N 2.73Å; L412-S414 PolarHBondContact O-N 3.46Å; L412-L415 HydrophobicContact CD2-CD1 3.78Å; L412-L415 WeakPolarHBondContact O-CB 3.07Å; L412-L415 PolarHBondContact O-N 3.26Å; L412-W419 VanDerWaalsContact O-CD1 3.3Å; L412-W419 PolarHBondContact O-NE1 3.31Å
413S74.3Confident69Low81 Ų8183 Ų8357%0.56648%0.482SS*.Hα-helixtrans-61.5-32.8173.7-32.40000111.9D411 H416D411-S413 PolarHBondContact O-N 3.12Å; D411-S413 WeakPolarHBondContact OD1-CB 3.41Å; D411-S413 PolarHBondContact OD1-N 3.45Å; D411-S413 PolarHBondContact OD1-OG 3.02Å; S413-H416 CarbonylContact O-C 3.49Å
414S67.4Low69.4Low75 Ų7587.5 Ų87.552%0.52450%0.502SS..Hα-helixtrans-75.6-23179.274.40000113.8D411 L412 H416D411-S414 WeakPolarHBondContact O-CB 3.16Å; D411-S414 PolarHBondContact O-N 2.76Å; D411-S414 PolarHBondContact O-OG 3.04Å; L412-S414 PolarHBondContact O-N 3.46Å; S414-H416 VanDerWaalsContact C-N 3.34Å
415L64.7Low69.8Low78 Ų7886.6 Ų86.641%0.40850%0.497SS..Hα-helixtrans-65.9-37.5175.8-70172.4000111.4L410 L412L410-L415 HydrophobicContact CD2-CD1 4.16Å; L410-L415 HydrophobicContact CD2-CD2 3.96Å; L410-L415 HydrophobicContact CD2-CG 4.12Å; L412-L415 HydrophobicContact CD2-CD1 3.78Å; L412-L415 WeakPolarHBondContact O-CB 3.07Å; L412-L415 PolarHBondContact O-N 3.26Å
416H62.3Low70.1Confident11 Ų1187.4 Ų87.45%0.05150%0.499CS..  trans-169139.916442.973.8000113.2S413 S414 N418 W419 F438S413-H416 CarbonylContact O-C 3.49Å; S414-H416 VanDerWaalsContact C-N 3.34Å; H416-N418 HydrophobicContact CB-CB 4.29Å; H416-N418 PolarHBondContact O-N 2.98Å; H416-W419 AromaticContact CE1-CD1 3.67Å; H416-W419 AromaticContact CE1-CD2 3.23Å; H416-W419 AromaticContact CE1-CE2 3.08Å; H416-W419 AromaticContact CE1-CE3 3.74Å; H416-W419 AromaticContact CE1-CG 3.61Å; H416-W419 AromaticContact CE1-CH2 3.92Å; H416-W419 AromaticContact CE1-CZ2 3.46Å; H416-W419 VanDerWaalsContact CE1-CZ2 3.46Å; H416-W419 WeakPolarHBondContact CE1-CZ2 2.98Å; H416-W419 AromaticContact CE1-NE1 3.37Å; H416-W419 PolarHBondContact CE1-NE1 3.29Å; H416-W419 AromaticContact ND1-CD1 3.38Å; H416-W419 AromaticContact ND1-CD2 3.71Å; H416-W419 AromaticContact ND1-CE2 3.65Å; H416-W419 AromaticContact ND1-CG 3.54Å; H416-W419 PolarHBondContact ND1-N 2.81Å; H416-W419 AromaticContact ND1-NE1 3.44Å; H416-W419 PolarHBondContact ND1-NE1 2.9Å; H416-W419 AromaticContact NE2-CE2 3.73Å; H416-W419 AromaticContact NE2-CZ2 3.69Å; H416-W419 PolarHBondContact O-N 3.34Å; H416-F438 AromaticContact CD2-CE2 3.68Å; H416-F438 AromaticContact CE1-CE2 3.45Å; H416-F438 VanDerWaalsContact CE1-CE2 3.45Å; H416-F438 WeakPolarHBondContact CE1-CE2 3.28Å; H416-F438 AromaticContact CE1-CZ 3.76Å; H416-F438 AromaticContact CG-CE2 3.77Å; H416-F438 AromaticContact ND1-CE2 3.66Å; H416-F438 AromaticContact NE2-CE2 3.48Å; H416-F438 WeakPolarHBondContact NE2-CE2 3.44Å; H416-F438 AromaticContact NE2-CZ 3.95Å
417S57.5Low70.1Confident69 Ų6985 Ų8548%0.48349%0.489SS..G310 helixtrans-50-28.1164440000113.5W419 Q420S417-W419 PolarHBondContact O-N 2.99Å; S417-W419 VanDerWaalsContact O-N 3.11Å; S417-Q420 PolarHBondContact O-N 3.1Å
418N56.1Low70.2Confident60 Ų6085.7 Ų85.732%0.32149%0.49SS..G310 helixtrans-74.9-0.7-167.4-56.6-1.7000113.9H416 Q420 T421 F438H416-N418 HydrophobicContact CB-CB 4.29Å; H416-N418 PolarHBondContact O-N 2.98Å; N418-Q420 PolarHBondContact O-N 3.11Å; N418-T421 WeakPolarHBondContact O-CB 3.36Å; N418-T421 PolarHBondContact O-N 2.98Å; N418-T421 PolarHBondContact O-OG1 3.37Å; N418-F438 HydrophobicContact CB-CD2 4.08Å; N418-F438 HydrophobicContact CB-CE2 3.66Å; N418-F438 HydrophobicContact CB-CZ 4.4Å
419W60.8Low70.2Confident134 Ų13487.3 Ų87.351%0.50849%0.491SS..G310 helixtrans-59.8-21.5164.2-67.9117.1000112.3L412 H416 S417 L425L412-W419 VanDerWaalsContact O-CD1 3.3Å; L412-W419 PolarHBondContact O-NE1 3.31Å; H416-W419 AromaticContact CE1-CD1 3.67Å; H416-W419 AromaticContact CE1-CD2 3.23Å; H416-W419 AromaticContact CE1-CE2 3.08Å; H416-W419 AromaticContact CE1-CE3 3.74Å; H416-W419 AromaticContact CE1-CG 3.61Å; H416-W419 AromaticContact CE1-CH2 3.92Å; H416-W419 AromaticContact CE1-CZ2 3.46Å; H416-W419 VanDerWaalsContact CE1-CZ2 3.46Å; H416-W419 WeakPolarHBondContact CE1-CZ2 2.98Å; H416-W419 AromaticContact CE1-NE1 3.37Å; H416-W419 PolarHBondContact CE1-NE1 3.29Å; H416-W419 AromaticContact ND1-CD1 3.38Å; H416-W419 AromaticContact ND1-CD2 3.71Å; H416-W419 AromaticContact ND1-CE2 3.65Å; H416-W419 AromaticContact ND1-CG 3.54Å; H416-W419 PolarHBondContact ND1-N 2.81Å; H416-W419 AromaticContact ND1-NE1 3.44Å; H416-W419 PolarHBondContact ND1-NE1 2.9Å; H416-W419 AromaticContact NE2-CE2 3.73Å; H416-W419 AromaticContact NE2-CZ2 3.69Å; H416-W419 PolarHBondContact O-N 3.34Å; S417-W419 PolarHBondContact O-N 2.99Å; S417-W419 VanDerWaalsContact O-N 3.11Å; W419-L425 HydrophobicContact CE3-CD1 3.8Å; W419-L425 HydrophobicContact CZ3-CD1 4.06Å
420Q56.7Low70.1Confident176 Ų17688.9 Ų88.982%0.82249%0.493SS*.G310 helixtrans-85.4-6179.8-59.6-176.5-0.300113.5S417 N418 P422S417-Q420 PolarHBondContact O-N 3.1Å; N418-Q420 PolarHBondContact O-N 3.11Å; Q420-P422 WeakPolarHBondContact O-CD 3.45Å
421T62.6Low70Confident79 Ų7986.1 Ų86.149%0.48548%0.481SS..SBendtrans-73.3117.9178.8-55.10000110N418 G423N418-T421 WeakPolarHBondContact O-CB 3.36Å; N418-T421 PolarHBondContact O-N 2.98Å; N418-T421 PolarHBondContact O-OG1 3.37Å; T421-G423 PolarHBondContact O-N 2.86Å; T421-G423 VanDerWaalsContact O-N 3.14Å
422P66Low69.9Low135 Ų13586.6 Ų86.688%0.87749%0.489SS*.  trans-73.1108.3179.929.2-33.5000110.6Q420Q420-P422 WeakPolarHBondContact O-CD 3.45Å
423G72Confident69.9Low60 Ų6089.2 Ų89.262%0.61950%0.503SS*.SBendtrans167.9-179.7177.700000113.5T421 L425T421-G423 PolarHBondContact O-N 2.86Å; T421-G423 VanDerWaalsContact O-N 3.14Å; G423-L425 PolarHBondContact O-N 2.96Å; G423-L425 VanDerWaalsContact O-N 3.12Å
424E75.2Confident69.4Low139 Ų13989.7 Ų89.765%0.6550%0.496SS*.  trans-82.885.9178.3-65.1-168.2158.100111.1H426 T427E424-H426 PolarHBondContact O-N 3.27Å; E424-H426 IonicContact OE2-CE1 2.6Å; E424-H426 PolarHBondContact OE2-CE1 3.24Å; E424-T427 HydrophobicContact CB-CG2 4.25Å; E424-T427 PolarHBondContact O-N 3.24Å; E424-T427 PolarHBondContact O-OG1 2.97Å
425L76.6Confident69.2Low47 Ų4791.4 Ų91.425%0.24650%0.5CS..G310 helixtrans-51.1-26.3-176.4-61.5-178.7000114.5W419 G423 T427 T428 F429 F438W419-L425 HydrophobicContact CE3-CD1 3.8Å; W419-L425 HydrophobicContact CZ3-CD1 4.06Å; G423-L425 PolarHBondContact O-N 2.96Å; G423-L425 VanDerWaalsContact O-N 3.12Å; L425-T427 PolarHBondContact O-N 3.28Å; L425-T428 PolarHBondContact O-N 3.46Å; L425-F429 PolarHBondContact O-N 3.28Å; L425-F438 HydrophobicContact CB-CE1 4.07Å; L425-F438 HydrophobicContact CB-CZ 4.41Å; L425-F438 HydrophobicContact CD1-CZ 4.39Å; L425-F438 HydrophobicContact CD2-CE1 4.02Å; L425-F438 HydrophobicContact CD2-CZ 3.97Å; L425-F438 HydrophobicContact CG-CZ 4.48Å
426H79.7Confident69.1Low137 Ų13789.7 Ų89.763%0.63449%0.494SS*.G310 helixtrans-64.3-22.6179.483.8-93.8000113.6E424E424-H426 PolarHBondContact O-N 3.27Å; E424-H426 IonicContact OE2-CE1 2.6Å; E424-H426 PolarHBondContact OE2-CE1 3.24Å
427T76.3Confident69Low81 Ų8190.6 Ų90.650%0.49750%0.501SS..G310 helixtrans-75.3-25.2179.559.40000113.5E424 L425 M444E424-T427 HydrophobicContact CB-CG2 4.25Å; E424-T427 PolarHBondContact O-N 3.24Å; E424-T427 PolarHBondContact O-OG1 2.97Å; L425-T427 PolarHBondContact O-N 3.28Å; T427-M444 WeakPolarHBondContact O-CE 3.42Å
428T75.4Confident69.3Low50 Ų5088.4 Ų88.431%0.30748%0.483SS..THydrogen-bonded Turntrans-103.7-5.2177.9-420000111.9L425 V430 F438 G439 M444L425-T428 PolarHBondContact O-N 3.46Å; T428-V430 PolarHBondContact O-N 3.4Å; T428-F438 HydrophobicContact CG2-CB 4.12Å; T428-F438 HydrophobicContact CG2-CD1 4.05Å; T428-F438 WeakPolarHBondContact O-CA 3.49Å; T428-G439 PolarHBondContact O-N 2.88Å; T428-M444 HydrophobicContact CG2-CE 4.44Å; T428-M444 HydrophobicContact CG2-SD 3.85Å
429F78Confident69.7Low102 Ų10286 Ų8645%0.44747%0.473SS..BIsolated β-bridgetrans-76.4113.6-176.7-175-85.2000111.1L425 P432 C437L425-F429 PolarHBondContact O-N 3.28Å; F429-P432 HydrophobicContact CZ-CB 4.08Å; F429-C437 CarbonylContact C-O 3.55Å; F429-C437 WeakPolarHBondContact CA-O 3.34Å; F429-C437 HydrophobicContact CD2-CB 3.78Å; F429-C437 HydrophobicContact CE2-CB 3.59Å; F429-C437 HydrophobicContact CZ-CB 4.48Å
430V77Confident70.3Confident69 Ų6982.9 Ų82.942%0.41846%0.461SS..  trans-96.6-44.9-176.9167.30000112.6T428 C437 G439T428-V430 PolarHBondContact O-N 3.4Å; V430-C437 PolarHBondContact N-O 3.13Å; V430-G439 VanDerWaalsContact CG2-CA 3.42Å
431S77.4Confident71.3Confident27 Ų2779.3 Ų79.319%0.18945%0.453CS..  trans-157.9138.9-175.1-178.10000113.6L433S431-L433 PolarHBondContact O-N 3.32Å; S431-L433 PolarHBondContact OG-N 2.82Å; S431-L433 VanDerWaalsContact OG-N 3.13Å
432P76.1Confident72Confident104 Ų10479.3 Ų79.368%0.67545%0.447SS*.THydrogen-bonded Turntrans-74.7-0.4170.433.5-35.9000113.6F429F429-P432 HydrophobicContact CZ-CB 4.08Å
433L75.8Confident72.6Confident160 Ų16075.6 Ų75.684%0.83842%0.42SS*.THydrogen-bonded Turntrans-110.64.8-178.5-59.4179.3000113.5S431S431-L433 PolarHBondContact O-N 3.32Å; S431-L433 PolarHBondContact OG-N 2.82Å; S431-L433 VanDerWaalsContact OG-N 3.13Å
434Q64.1Low72.9Confident90 Ų9076.1 Ų76.142%0.42141%0.407SS..SBendtrans-102.5136.6177.2-73.6173.2-30.300110.5S436 C437Q434-S436 WeakPolarHBondContact CB-O 3.45Å; Q434-S436 CarbonylContact O-C 3.58Å; Q434-S436 VanDerWaalsContact O-C 3.3Å; Q434-S436 PolarHBondContact O-N 2.87Å; Q434-S436 VanDerWaalsContact O-N 3.1Å; Q434-C437 PolarHBondContact O-N 2.83Å
435D62.4Low73.2Confident112 Ų11277.7 Ų77.760%0.59942%0.421SS*.SBendtrans-53.5-30.6176.2-65.315.8000113.1R484D435-R484 IonicContact OD2-CZ 3.44Å; D435-R484 IonicContact OD2-NH1 3.18Å; D435-R484 PolarHBondContact OD2-NH1 3.47Å; D435-R484 IonicContact OD2-NH2 3.09Å; D435-R484 PolarHBondContact OD2-NH2 3.16Å
436S63.3Low73.6Confident42 Ų4284.1 Ų84.129%0.29444%0.443SS..SBendtrans-107.3111.7158.9171.90000107.8Q434 F438Q434-S436 WeakPolarHBondContact CB-O 3.45Å; Q434-S436 CarbonylContact O-C 3.58Å; Q434-S436 VanDerWaalsContact O-C 3.3Å; Q434-S436 PolarHBondContact O-N 2.87Å; Q434-S436 VanDerWaalsContact O-N 3.1Å; S436-F438 PolarHBondContact O-N 3.11Å; S436-F438 VanDerWaalsContact O-N 3.14Å; S436-F438 PolarHBondContact OG-N 3.44Å; S436-F438 PolarHBondContact OG-O 3.47Å
437C59.4Low74.1Confident30 Ų3082.9 Ų82.920%0.20345%0.447CS..SBendtrans-62.4-16.6172.9-59.10000113F429 V430 Q434F429-C437 CarbonylContact C-O 3.55Å; F429-C437 WeakPolarHBondContact CA-O 3.34Å; F429-C437 HydrophobicContact CD2-CB 3.78Å; F429-C437 HydrophobicContact CE2-CB 3.59Å; F429-C437 HydrophobicContact CZ-CB 4.48Å; V430-C437 PolarHBondContact N-O 3.13Å; Q434-C437 PolarHBondContact O-N 2.83Å
438F63.8Low74.8Confident22 Ų2282 Ų8210%0.09644%0.441CS..BIsolated β-bridgetrans-91.8130.9179.5-59.1-67.1000111.7H416 N418 L425 T428 S436H416-F438 AromaticContact CD2-CE2 3.68Å; H416-F438 AromaticContact CE1-CE2 3.45Å; H416-F438 VanDerWaalsContact CE1-CE2 3.45Å; H416-F438 WeakPolarHBondContact CE1-CE2 3.28Å; H416-F438 AromaticContact CE1-CZ 3.76Å; H416-F438 AromaticContact CG-CE2 3.77Å; H416-F438 AromaticContact ND1-CE2 3.66Å; H416-F438 AromaticContact NE2-CE2 3.48Å; H416-F438 WeakPolarHBondContact NE2-CE2 3.44Å; H416-F438 AromaticContact NE2-CZ 3.95Å; N418-F438 HydrophobicContact CB-CD2 4.08Å; N418-F438 HydrophobicContact CB-CE2 3.66Å; N418-F438 HydrophobicContact CB-CZ 4.4Å; L425-F438 HydrophobicContact CB-CE1 4.07Å; L425-F438 HydrophobicContact CB-CZ 4.41Å; L425-F438 HydrophobicContact CD1-CZ 4.39Å; L425-F438 HydrophobicContact CD2-CE1 4.02Å; L425-F438 HydrophobicContact CD2-CZ 3.97Å; L425-F438 HydrophobicContact CG-CZ 4.48Å; T428-F438 HydrophobicContact CG2-CB 4.12Å; T428-F438 HydrophobicContact CG2-CD1 4.05Å; T428-F438 WeakPolarHBondContact O-CA 3.49Å; S436-F438 PolarHBondContact O-N 3.11Å; S436-F438 VanDerWaalsContact O-N 3.14Å; S436-F438 PolarHBondContact OG-N 3.44Å; S436-F438 PolarHBondContact OG-O 3.47Å
439G65.2Low75.6Confident11 Ų1182.4 Ų82.411%0.11345%0.445CS..PPolyproline II helixtrans-66.9151.4171.100000112.3T428 V430T428-G439 PolarHBondContact O-N 2.88Å; V430-G439 VanDerWaalsContact CG2-CA 3.42Å
440R74.4Confident76.2Confident68 Ų6882.2 Ų82.226%0.25745%0.454SS..PPolyproline II helixtrans-82157168-52.2163.8-64.7175.83.2108.3Q442 D443 N481 E485R440-Q442 VanDerWaalsContact CB-OE1 3.26Å; R440-Q442 PolarHBondContact O-N 2.8Å; R440-D443 VanDerWaalsContact CB-OD2 3.24Å; R440-D443 WeakPolarHBondContact CB-OD2 3.24Å; R440-D443 WeakPolarHBondContact CG-OD2 3.34Å; R440-D443 IonicContact CZ-OD1 3.63Å; R440-D443 IonicContact CZ-OD2 2.75Å; R440-D443 PolarHBondContact N-OD2 3.09Å; R440-D443 IonicContact NE-OD1 2.71Å; R440-D443 PolarHBondContact NE-OD1 2.87Å; R440-D443 IonicContact NE-OD2 2.76Å; R440-D443 PolarHBondContact NE-OD2 2.96Å; R440-D443 IonicContact NH2-OD1 3.35Å; R440-D443 PolarHBondContact NH2-OD1 2.76Å; R440-D443 IonicContact NH2-OD2 2.87Å; R440-D443 PolarHBondContact NH2-OD2 3.18Å; R440-D443 WeakPolarHBondContact O-CB 3.45Å; R440-D443 PolarHBondContact O-N 2.75Å; R440-N481 VanDerWaalsContact CD-O 3.29Å; R440-N481 WeakPolarHBondContact CD-O 3.29Å; R440-N481 PolarHBondContact NH1-O 3.05Å; R440-E485 IonicContact CZ-OE1 3.52Å; R440-E485 IonicContact NH1-OE1 2.76Å; R440-E485 PolarHBondContact NH1-OE1 3.22Å; R440-E485 IonicContact NH2-OE1 3.46Å; R440-E485 PolarHBondContact NH2-OE1 2.7Å
441P76.5Confident76.9Confident100 Ų10085.4 Ų85.465%0.64946%0.464SS*.THydrogen-bonded Turntrans-56.6-27.4-175.9-27.636.4000115
442Q78.6Confident77.5Confident79 Ų7992.1 Ų92.137%0.36949%0.486SS..THydrogen-bonded Turntrans-80.5-13.6175.473-82.915.400114.9R440 N481R440-Q442 VanDerWaalsContact CB-OE1 3.26Å; R440-Q442 PolarHBondContact O-N 2.8Å; Q442-N481 PolarHBondContact NE2-O 3.37Å
443D77.1Confident78.1Confident57 Ų5791.8 Ų91.831%0.30548%0.479SS..THydrogen-bonded Turntrans-90.6-8.7176.5-50-42.4000112.2R440R440-D443 VanDerWaalsContact CB-OD2 3.24Å; R440-D443 WeakPolarHBondContact CB-OD2 3.24Å; R440-D443 WeakPolarHBondContact CG-OD2 3.34Å; R440-D443 IonicContact CZ-OD1 3.63Å; R440-D443 IonicContact CZ-OD2 2.75Å; R440-D443 PolarHBondContact N-OD2 3.09Å; R440-D443 IonicContact NE-OD1 2.71Å; R440-D443 PolarHBondContact NE-OD1 2.87Å; R440-D443 IonicContact NE-OD2 2.76Å; R440-D443 PolarHBondContact NE-OD2 2.96Å; R440-D443 IonicContact NH2-OD1 3.35Å; R440-D443 PolarHBondContact NH2-OD1 2.76Å; R440-D443 IonicContact NH2-OD2 2.87Å; R440-D443 PolarHBondContact NH2-OD2 3.18Å; R440-D443 WeakPolarHBondContact O-CB 3.45Å; R440-D443 PolarHBondContact O-N 2.75Å
444M79.3Confident78.6Confident71 Ų7188.5 Ų88.535%0.3546%0.461SS..SBendtrans-104.2124.2-173-66.9-176.465.300111.4T427 T428 Y446T427-M444 WeakPolarHBondContact O-CE 3.42Å; T428-M444 HydrophobicContact CG2-CE 4.44Å; T428-M444 HydrophobicContact CG2-SD 3.85Å; M444-Y446 PolarHBondContact O-N 2.86Å
445D81.7Confident79.4Confident173 Ų17389.2 Ų89.293%0.92546%0.46SS*.  trans-63.7128.8169.8-74.7-49.6000110.7
446Y85Confident80.1Confident182 Ų18290.7 Ų90.771%0.71446%0.463SS*.  trans-129.3139.3175.4-170.2-89.8000110.3M444 V448M444-Y446 PolarHBondContact O-N 2.86Å; Y446-V448 VanDerWaalsContact C-N 3.27Å; Y446-V448 HydrophobicContact CD1-CG1 4.13Å; Y446-V448 PolarHBondContact O-N 3.35Å
447P89Confident80.9Confident111 Ų11194.1 Ų94.172%0.72148%0.477SS*.  trans-71.879.717830.6-36.2000111.4
448V90.5Very high82Confident63 Ų6394.9 Ų94.938%0.38248%0.481SS..  trans-73.6148.4173.5-65.10000111.6Y446 Y452 L453Y446-V448 VanDerWaalsContact C-N 3.27Å; Y446-V448 HydrophobicContact CD1-CG1 4.13Å; Y446-V448 PolarHBondContact O-N 3.35Å; V448-Y452 HydrophobicContact CB-CD2 4.25Å; V448-L453 HydrophobicContact CG2-CD2 3.59Å; V448-L453 HydrophobicContact CG2-CG 4.25Å
449P93.5Very high82.3Confident58 Ų5897.4 Ų97.438%0.37750%0.498SS..  trans-53.3140.6168.5-26.234.4000112.1E451 Y452P449-E451 WeakPolarHBondContact CB-OE2 3.37Å; P449-E451 PolarHBondContact O-N 3.01Å; P449-Y452 HydrophobicContact CG-CD2 4.27Å; P449-Y452 HydrophobicContact CG-CE2 4.04Å; P449-Y452 PolarHBondContact O-N 3.06Å
450P90.1Very high82.7Confident98 Ų98104.6 Ų104.664%0.63653%0.534SS*.G310 helixtrans-55.1-28.2-178.1-27.235.7000114.3Y452 L453P450-Y452 PolarHBondContact O-N 3.17Å; P450-L453 WeakPolarHBondContact O-CB 3.38Å; P450-L453 PolarHBondContact O-N 3.26Å
451E91.1Very high82.7Confident136 Ų136111.7 Ų111.764%0.63656%0.561SS**G310 helixtrans-61.6-21.1177.9-6071.8-156.800112.8P449 I454P449-E451 WeakPolarHBondContact CB-OE2 3.37Å; P449-E451 PolarHBondContact O-N 3.01Å; E451-I454 WeakPolarHBondContact O-CG2 3.46Å
452Y91.2Very high82.5Confident167 Ų167112.8 Ų112.866%0.65556%0.561SS**G310 helixtrans-89.4-10.7176.8-60.5-16.3000113.3V448 P449 P450 I454V448-Y452 HydrophobicContact CB-CD2 4.25Å; P449-Y452 HydrophobicContact CG-CD2 4.27Å; P449-Y452 HydrophobicContact CG-CE2 4.04Å; P449-Y452 PolarHBondContact O-N 3.06Å; P450-Y452 PolarHBondContact O-N 3.17Å; Y452-I454 PolarHBondContact O-N 2.74Å
453L87.7Confident82.2Confident98 Ų98113.9 Ų113.951%0.51357%0.574SS.*  trans-77.328.2-178.6-59.6178.1000113.5V448 P450 R455 H456V448-L453 HydrophobicContact CG2-CD2 3.59Å; V448-L453 HydrophobicContact CG2-CG 4.25Å; P450-L453 WeakPolarHBondContact O-CB 3.38Å; P450-L453 PolarHBondContact O-N 3.26Å; L453-R455 PolarHBondContact O-N 2.94Å; L453-H456 PolarHBondContact O-CE1 2.97Å; L453-H456 PolarHBondContact O-ND1 3.07Å
454I87.2Confident81.9Confident90 Ų90114.3 Ų114.346%0.46258%0.577SS.*THydrogen-bonded Turntrans-60.9-14.1-166.965.3173.4000115.5E451 Y452 H456 L457 V458E451-I454 WeakPolarHBondContact O-CG2 3.46Å; Y452-I454 PolarHBondContact O-N 2.74Å; I454-H456 PolarHBondContact O-N 3.01Å; I454-H456 VanDerWaalsContact O-N 3.12Å; I454-L457 WeakPolarHBondContact O-CA 3.18Å; I454-L457 WeakPolarHBondContact O-CB 3.41Å; I454-L457 PolarHBondContact O-N 2.93Å; I454-V458 HydrophobicContact CB-CG1 4.44Å; I454-V458 HydrophobicContact CG1-CG2 4.5Å; I454-V458 PolarHBondContact O-N 2.93Å; I454-V458 VanDerWaalsContact O-N 3.12Å
455R79.7Confident81.6Confident105 Ų105113.7 Ų113.740%0.39658%0.578SS.*Hα-helixtrans-49.7-43.9-174.5-166.9-179-168.7-1779.1112.3L453 L457 V458 T459L453-R455 PolarHBondContact O-N 2.94Å; R455-L457 VanDerWaalsContact C-N 3.26Å; R455-L457 PolarHBondContact O-N 2.88Å; R455-V458 PolarHBondContact O-N 3.4Å; R455-T459 WeakPolarHBondContact O-CB 3.29Å; R455-T459 PolarHBondContact O-N 2.96Å; R455-T459 PolarHBondContact O-OG1 3.4Å
456H78.4Confident81.5Confident143 Ų143106.7 Ų106.766%0.66254%0.542SS*.Hα-helixtrans-69.6-1918073.9-81.4000114.2L453 I454L453-H456 PolarHBondContact O-CE1 2.97Å; L453-H456 PolarHBondContact O-ND1 3.07Å; I454-H456 PolarHBondContact O-N 3.01Å; I454-H456 VanDerWaalsContact O-N 3.12Å
457L79.1Confident81.3Confident115 Ų11598.1 Ų98.160%0.60251%0.508SS*.Hα-helixtrans-91.2-23.4176.4-55.7175.2000112.8I454 R455I454-L457 WeakPolarHBondContact O-CA 3.18Å; I454-L457 WeakPolarHBondContact O-CB 3.41Å; I454-L457 PolarHBondContact O-N 2.93Å; R455-L457 VanDerWaalsContact C-N 3.26Å; R455-L457 PolarHBondContact O-N 2.88Å
458V82.3Confident81Confident46 Ų4697.6 Ų97.628%0.27950%0.5SS..Hα-helixtrans-114.2-11.4-172.2-52.80000115.1I454 R455 D460 R461 L462I454-V458 HydrophobicContact CB-CG1 4.44Å; I454-V458 HydrophobicContact CG1-CG2 4.5Å; I454-V458 PolarHBondContact O-N 2.93Å; I454-V458 VanDerWaalsContact O-N 3.12Å; R455-V458 PolarHBondContact O-N 3.4Å; V458-D460 VanDerWaalsContact C-N 3.25Å; V458-D460 PolarHBondContact O-N 2.94Å; V458-D460 VanDerWaalsContact O-N 3.15Å; V458-R461 CarbonylContact O-C 3.57Å; V458-R461 WeakPolarHBondContact O-CA 3.35Å; V458-R461 PolarHBondContact O-N 3.08Å; V458-L462 HydrophobicContact CB-CB 4.36Å; V458-L462 PolarHBondContact O-N 2.99Å
459T70.3Confident80.8Confident74 Ų74101.6 Ų101.645%0.45451%0.514SS..THydrogen-bonded Turntrans-53.2-39.5-175.5-66.90000113.1R455 R461R455-T459 WeakPolarHBondContact O-CB 3.29Å; R455-T459 PolarHBondContact O-N 2.96Å; R455-T459 PolarHBondContact O-OG1 3.4Å; T459-R461 VanDerWaalsContact C-N 3.3Å; T459-R461 PolarHBondContact O-N 3.41Å
460D73.9Confident80.7Confident163 Ų163100.3 Ų100.387%0.87250%0.504SS*.THydrogen-bonded Turntrans-79.7-10.1179.1-57.3-26.9000113.9V458V458-D460 VanDerWaalsContact C-N 3.25Å; V458-D460 PolarHBondContact O-N 2.94Å; V458-D460 VanDerWaalsContact O-N 3.15Å
461R74.3Confident80.8Confident216 Ų21698.3 Ų98.382%0.81549%0.492SS*.THydrogen-bonded Turntrans-114.8-22.5-172.7-61.7-174.5-179.7-160.70.8113.8V458 T459V458-R461 CarbonylContact O-C 3.57Å; V458-R461 WeakPolarHBondContact O-CA 3.35Å; V458-R461 PolarHBondContact O-N 3.08Å; T459-R461 VanDerWaalsContact C-N 3.3Å; T459-R461 PolarHBondContact O-N 3.41Å
462L72.2Confident81Confident124 Ų12494.7 Ų94.765%0.64948%0.475SS*.SBendtrans-13485-177.4-17367.4000108.9V458V458-L462 HydrophobicContact CB-CB 4.36Å; V458-L462 PolarHBondContact O-N 2.99Å
463P72.4Confident81.1Confident101 Ų10192.4 Ų92.466%0.65647%0.47SS*.PPolyproline II helixtrans-59.2149.2172-21.733.6000111.4
464D70.6Confident81.4Confident67 Ų6790.4 Ų90.436%0.35846%0.462SS..PPolyproline II helixtrans-58.4123.1177.6-55.5-67.6000110.3T564 L565D464-T564 WeakPolarHBondContact CB-O 3.31Å; D464-T564 WeakPolarHBondContact OD2-CA 3.25Å; D464-T564 WeakPolarHBondContact OD2-CB 3.48Å; D464-L565 HydrophobicContact CB-CD2 4.47Å
465P74.1Confident81.7Confident58 Ų5886.1 Ų86.138%0.37744%0.44SS..PPolyproline II helixtrans-64142.6-170.524.7-34.6000111.7L470 L565P465-L470 HydrophobicContact CB-CD2 4.23Å; P465-L470 HydrophobicContact CG-CD2 3.92Å; P465-L565 WeakPolarHBondContact O-CD2 3.27Å
466P79.1Confident82.5Confident25 Ų2581.1 Ų81.116%0.16242%0.422CS..PPolyproline II helixtrans-66.3143.9174.629.5-34.7000110N468 Q469 S566P466-N468 WeakPolarHBondContact CB-OD1 3.3Å; P466-N468 WeakPolarHBondContact CG-OD1 3.45Å; P466-N468 PolarHBondContact O-N 3.14Å; P466-Q469 HydrophobicContact CG-CB 4.15Å; P466-Q469 VanDerWaalsContact CG-CD 3.41Å; P466-Q469 HydrophobicContact CG-CG 3.76Å; P466-Q469 PolarHBondContact O-N 2.93Å; P466-S566 WeakPolarHBondContact CA-OG 3.44Å; P466-S566 WeakPolarHBondContact CB-OG 3.4Å
467M80.6Confident83.1Confident3 Ų380.8 Ų80.82%0.01542%0.415CS..G310 helixtrans-53.5-31.5-175.6-162.163.970.300113.1Q469 L470 L475 L478 V490 V491 E494 R498 L565 A567M467-Q469 VanDerWaalsContact C-N 3.29Å; M467-Q469 PolarHBondContact O-N 2.84Å; M467-L470 PolarHBondContact O-N 2.86Å; M467-L470 HydrophobicContact SD-CD1 3.74Å; M467-L475 HydrophobicContact CG-CD2 3.79Å; M467-L475 HydrophobicContact SD-CD2 3.44Å; M467-L475 WeakPolarHBondContact SD-CD2 3.19Å; M467-L478 HydrophobicContact SD-CD1 4.15Å; M467-V490 HydrophobicContact CE-CG1 4.03Å; M467-V490 HydrophobicContact CG-CG1 4.4Å; M467-V491 HydrophobicContact CE-CG2 3.76Å; M467-V491 HydrophobicContact SD-CG2 3.56Å; M467-V491 VanDerWaalsContact SD-CG2 3.56Å; M467-E494 HydrophobicContact CG-CB 4Å; M467-E494 HydrophobicContact CG-CG 4.09Å; M467-R498 PolarHBondContact O-NH2 3.32Å; M467-L565 HydrophobicContact CE-CD1 3.93Å; M467-A567 HydrophobicContact CB-CB 4.01Å
468N83.3Confident83.7Confident100 Ų10076.5 Ų76.554%0.53539%0.392SS..G310 helixtrans-74-10.7179.771.3-13.5000115.3P466 E494 R498P466-N468 WeakPolarHBondContact CB-OD1 3.3Å; P466-N468 WeakPolarHBondContact CG-OD1 3.45Å; P466-N468 PolarHBondContact O-N 3.14Å; N468-E494 WeakPolarHBondContact CA-OE1 3.45Å; N468-R498 PolarHBondContact O-NH2 3.41Å; N468-R498 VanDerWaalsContact O-NH2 3.16Å
469Q86.7Confident84.2Confident147 Ų14775 Ų7569%0.68738%0.382SS*.G310 helixtrans-95.6-10.7174.2-71.5176.214.900113.2P466 M467P466-Q469 HydrophobicContact CG-CB 4.15Å; P466-Q469 VanDerWaalsContact CG-CD 3.41Å; P466-Q469 HydrophobicContact CG-CG 3.76Å; P466-Q469 PolarHBondContact O-N 2.93Å; M467-Q469 VanDerWaalsContact C-N 3.29Å; M467-Q469 PolarHBondContact O-N 2.84Å
470L90.1Very high85.2Confident30 Ų3073.2 Ų73.216%0.15737%0.367CS..SBendtrans-72.9151177.6-58.5-176.2000111.5P465 M467 T474 L475 L478 R498P465-L470 HydrophobicContact CB-CD2 4.23Å; P465-L470 HydrophobicContact CG-CD2 3.92Å; M467-L470 PolarHBondContact O-N 2.86Å; M467-L470 HydrophobicContact SD-CD1 3.74Å; L470-T474 HydrophobicContact CB-CG2 4.37Å; L470-T474 HydrophobicContact CD1-CG2 4.15Å; L470-T474 HydrophobicContact CD2-CG2 4.36Å; L470-L475 HydrophobicContact CB-CD2 4.21Å; L470-L475 HydrophobicContact CB-CG 4.29Å; L470-L475 HydrophobicContact CD1-CD2 4.33Å; L470-L478 HydrophobicContact CD1-CD1 3.77Å; L470-R498 PolarHBondContact O-NH1 3.01Å; L470-R498 PolarHBondContact O-NH2 3.1Å
471S93.2Very high85.9Confident56 Ų5667.4 Ų67.439%0.39234%0.336SS..  trans-71.5161.2175.473.80000111.6E473 T474 L475S471-E473 PolarHBondContact O-N 3.29Å; S471-T474 PolarHBondContact O-N 3.43Å; S471-T474 PolarHBondContact OG-N 2.9Å; S471-T474 VanDerWaalsContact OG-N 3.12Å; S471-T474 PolarHBondContact OG-OG1 2.71Å; S471-T474 VanDerWaalsContact OG-OG1 3.05Å; S471-L475 WeakPolarHBondContact O-CG 3.47Å; S471-L475 PolarHBondContact O-N 3.47Å
472E94.1Very high86.3Confident60 Ų6057.8 Ų57.828%0.2830%0.302SS..Hα-helixtrans-56.3-41.8174.5-54.5-167.7132.400111.2L475 F476 W500 K539E472-L475 WeakPolarHBondContact O-CB 3.34Å; E472-L475 PolarHBondContact O-N 2.81Å; E472-F476 HydrophobicContact CB-CD2 4.38Å; E472-F476 HydrophobicContact CB-CE2 3.87Å; E472-F476 WeakPolarHBondContact O-CD2 3.25Å; E472-F476 WeakPolarHBondContact O-CG 3.43Å; E472-F476 PolarHBondContact O-N 3.14Å; E472-W500 PolarHBondContact OE1-NE1 3.35Å; E472-W500 WeakPolarHBondContact OE2-CZ2 3.44Å; E472-K539 IonicContact OE1-NZ 2.73Å; E472-K539 IonicContact OE2-NZ 3.46Å; E472-K539 PolarHBondContact OE2-NZ 2.87Å
473E94.6Very high86.5Confident119 Ų11954 Ų5456%0.55629%0.286SS*.Hα-helixtrans-60.2-45.8176.9175.5175.4-16600112.9S471 L475 F476 W477 W532S471-E473 PolarHBondContact O-N 3.29Å; E473-L475 VanDerWaalsContact C-N 3.32Å; E473-L475 PolarHBondContact O-N 2.83Å; E473-F476 PolarHBondContact O-N 2.86Å; E473-W477 PolarHBondContact O-N 3.14Å; E473-W532 HydrophobicContact CB-CH2 3.97Å; E473-W532 HydrophobicContact CB-CZ3 4.46Å; E473-W532 HydrophobicContact CG-CH2 3.83Å; E473-W532 HydrophobicContact CG-CZ2 4.36Å
474T93.3Very high86.5Confident56 Ų5657.5 Ų57.534%0.34429%0.286SS..Hα-helixtrans-64.9-37.3175.6-53.10000111.5L470 S471 W477 L478L470-T474 HydrophobicContact CB-CG2 4.37Å; L470-T474 HydrophobicContact CD1-CG2 4.15Å; L470-T474 HydrophobicContact CD2-CG2 4.36Å; S471-T474 PolarHBondContact O-N 3.43Å; S471-T474 PolarHBondContact OG-N 2.9Å; S471-T474 VanDerWaalsContact OG-N 3.12Å; S471-T474 PolarHBondContact OG-OG1 2.71Å; S471-T474 VanDerWaalsContact OG-OG1 3.05Å; T474-W477 PolarHBondContact O-N 2.72Å; T474-L478 HydrophobicContact CG2-CD1 4.4Å; T474-L478 WeakPolarHBondContact O-CG 3.38Å; T474-L478 PolarHBondContact O-N 2.64Å
475L93.5Very high87Confident0 Ų057.2 Ų57.20%028%0.282CS..Hα-helixtrans-64.7-44.4173.8-67.7174.6000111.5M467 L470 S471 E472 E473 W477 L478 F479 V491 E494 L495 R498M467-L475 HydrophobicContact CG-CD2 3.79Å; M467-L475 HydrophobicContact SD-CD2 3.44Å; M467-L475 WeakPolarHBondContact SD-CD2 3.19Å; L470-L475 HydrophobicContact CB-CD2 4.21Å; L470-L475 HydrophobicContact CB-CG 4.29Å; L470-L475 HydrophobicContact CD1-CD2 4.33Å; S471-L475 WeakPolarHBondContact O-CG 3.47Å; S471-L475 PolarHBondContact O-N 3.47Å; E472-L475 WeakPolarHBondContact O-CB 3.34Å; E472-L475 PolarHBondContact O-N 2.81Å; E473-L475 VanDerWaalsContact C-N 3.32Å; E473-L475 PolarHBondContact O-N 2.83Å; L475-W477 PolarHBondContact O-N 2.76Å; L475-L478 PolarHBondContact O-N 3.21Å; L475-F479 WeakPolarHBondContact O-CB 3.4Å; L475-F479 PolarHBondContact O-N 3.5Å; L475-V491 HydrophobicContact CB-CG1 4.05Å; L475-V491 HydrophobicContact CD2-CG1 4.16Å; L475-V491 HydrophobicContact CD2-CG2 4.2Å; L475-V491 WeakPolarHBondContact O-CG1 3.44Å; L475-E494 HydrophobicContact CD1-CB 4.37Å; L475-E494 HydrophobicContact CD1-CG 3.52Å; L475-E494 HydrophobicContact CD2-CB 4.48Å; L475-E494 HydrophobicContact CD2-CG 4.08Å; L475-E494 HydrophobicContact CG-CG 4.48Å; L475-L495 HydrophobicContact CB-CD1 4.42Å; L475-L495 HydrophobicContact CB-CD2 3.82Å; L475-L495 HydrophobicContact CB-CG 4.08Å; L475-L495 HydrophobicContact CD1-CD2 3.99Å; L475-L495 HydrophobicContact CD1-CG 4.34Å; L475-R498 VanDerWaalsContact CD1-CZ 3.42Å
476F95.4Very high87.4Confident1 Ų157.5 Ų57.50%0.00428%0.278CS..Hα-helixtrans-62.6-42.7174.6-63.8-51.2000111.9E472 E473 L478 F479 Y480 L495 W500 W509 W532E472-F476 HydrophobicContact CB-CD2 4.38Å; E472-F476 HydrophobicContact CB-CE2 3.87Å; E472-F476 WeakPolarHBondContact O-CD2 3.25Å; E472-F476 WeakPolarHBondContact O-CG 3.43Å; E472-F476 PolarHBondContact O-N 3.14Å; E473-F476 PolarHBondContact O-N 2.86Å; F476-L478 PolarHBondContact O-N 3.04Å; F476-F479 PolarHBondContact O-N 2.84Å; F476-F479 VanDerWaalsContact O-N 3.17Å; F476-Y480 HydrophobicContact CB-CD2 4.45Å; F476-Y480 HydrophobicContact CB-CE2 4.37Å; F476-Y480 WeakPolarHBondContact O-CD2 3.31Å; F476-Y480 PolarHBondContact O-N 3.32Å; F476-L495 HydrophobicContact CD1-CD1 3.79Å; F476-L495 HydrophobicContact CD1-CD2 4.09Å; F476-L495 HydrophobicContact CE1-CD1 3.74Å; F476-L495 HydrophobicContact CE1-CD2 3.56Å; F476-L495 HydrophobicContact CE1-CG 4.29Å; F476-L495 HydrophobicContact CZ-CD2 3.85Å; F476-W500 HydrophobicContact CE1-CD2 4.43Å; F476-W500 HydrophobicContact CE1-CE3 4.41Å; F476-W500 HydrophobicContact CE2-CH2 4.02Å; F476-W500 AromaticContact CE2-CZ2 3.9Å; F476-W500 HydrophobicContact CE2-CZ2 3.9Å; F476-W500 AromaticContact CZ-CD2 3.76Å; F476-W500 HydrophobicContact CZ-CD2 3.76Å; F476-W500 AromaticContact CZ-CE2 3.65Å; F476-W500 AromaticContact CZ-CE3 3.84Å; F476-W500 HydrophobicContact CZ-CE3 3.84Å; F476-W500 HydrophobicContact CZ-CG 4.43Å; F476-W500 AromaticContact CZ-CH2 3.7Å; F476-W500 HydrophobicContact CZ-CH2 3.7Å; F476-W500 AromaticContact CZ-CZ2 3.61Å; F476-W500 HydrophobicContact CZ-CZ2 3.61Å; F476-W500 AromaticContact CZ-CZ3 3.83Å; F476-W500 HydrophobicContact CZ-CZ3 3.83Å; F476-W509 HydrophobicContact CD1-CB 4.26Å; F476-W509 AromaticContact CD1-CD1 3.97Å; F476-W509 HydrophobicContact CD1-CG 4.19Å; F476-W509 HydrophobicContact CE1-CB 3.51Å; F476-W509 AromaticContact CE1-CD1 3.96Å; F476-W509 HydrophobicContact CE1-CD2 4.49Å; F476-W509 AromaticContact CE1-CG 3.71Å; F476-W509 HydrophobicContact CE1-CG 3.71Å; F476-W509 HydrophobicContact CZ-CB 4.27Å; F476-W532 HydrophobicContact CB-CD2 3.97Å; F476-W532 HydrophobicContact CB-CG 4.02Å; F476-W532 HydrophobicContact CB-CZ2 4.22Å; F476-W532 HydrophobicContact CD1-CB 4.16Å; F476-W532 HydrophobicContact CD1-CG 4.05Å; F476-W532 HydrophobicContact CD2-CB 4.01Å; F476-W532 AromaticContact CD2-CD2 3.19Å; F476-W532 HydrophobicContact CD2-CD2 3.19Å; F476-W532 AromaticContact CD2-CE2 3.74Å; F476-W532 AromaticContact CD2-CE3 3.3Å; F476-W532 HydrophobicContact CD2-CE3 3.3Å; F476-W532 AromaticContact CD2-CG 3.52Å; F476-W532 HydrophobicContact CD2-CG 3.52Å; F476-W532 HydrophobicContact CD2-CH2 4.36Å; F476-W532 HydrophobicContact CD2-CZ2 4.28Å; F476-W532 AromaticContact CD2-CZ3 3.91Å; F476-W532 HydrophobicContact CD2-CZ3 3.91Å; F476-W532 HydrophobicContact CE1-CB 4.1Å; F476-W532 HydrophobicContact CE1-CG 4.44Å; F476-W532 HydrophobicContact CE2-CB 3.93Å; F476-W532 AromaticContact CE2-CD2 3.77Å; F476-W532 HydrophobicContact CE2-CD2 3.77Å; F476-W532 AromaticContact CE2-CE3 3.57Å; F476-W532 HydrophobicContact CE2-CE3 3.57Å; F476-W532 AromaticContact CE2-CG 3.95Å; F476-W532 HydrophobicContact CE2-CG 3.95Å; F476-W532 HydrophobicContact CE2-CZ3 4.34Å; F476-W532 HydrophobicContact CG-CB 4.13Å; F476-W532 AromaticContact CG-CD1 3.86Å; F476-W532 AromaticContact CG-CD2 3.67Å; F476-W532 HydrophobicContact CG-CD2 3.67Å; F476-W532 AromaticContact CG-CE2 3.94Å; F476-W532 HydrophobicContact CG-CE3 4.24Å; F476-W532 AromaticContact CG-CG 3.59Å; F476-W532 HydrophobicContact CG-CG 3.59Å; F476-W532 HydrophobicContact CZ-CB 3.98Å; F476-W532 HydrophobicContact CZ-CG 4.38Å
477W92Very high87.6Confident135 Ų13556.9 Ų56.951%0.51128%0.276SS..Hα-helixtrans-57.1-48.2175-176.387.6000111.6E473 T474 L475 F479 Y480 N481E473-W477 PolarHBondContact O-N 3.14Å; T474-W477 PolarHBondContact O-N 2.72Å; L475-W477 PolarHBondContact O-N 2.76Å; W477-F479 PolarHBondContact O-N 3.43Å; W477-Y480 PolarHBondContact O-N 3.14Å; W477-N481 HydrophobicContact CZ2-CB 4.38Å; W477-N481 PolarHBondContact NE1-ND2 2.84Å; W477-N481 WeakPolarHBondContact O-CB 3.39Å; W477-N481 PolarHBondContact O-N 3.12Å; W477-N481 PolarHBondContact O-ND2 3.32Å
478L91.8Very high88.1Confident25 Ų2558.2 Ų58.213%0.13128%0.282CS..Hα-helixtrans-60.9-43.2174.8-70.9167.6000111.9M467 L470 T474 L475 F476 Y480 N481 C482 V491M467-L478 HydrophobicContact SD-CD1 4.15Å; L470-L478 HydrophobicContact CD1-CD1 3.77Å; T474-L478 HydrophobicContact CG2-CD1 4.4Å; T474-L478 WeakPolarHBondContact O-CG 3.38Å; T474-L478 PolarHBondContact O-N 2.64Å; L475-L478 PolarHBondContact O-N 3.21Å; F476-L478 PolarHBondContact O-N 3.04Å; L478-Y480 PolarHBondContact O-N 2.6Å; L478-N481 PolarHBondContact O-N 3.48Å; L478-C482 VanDerWaalsContact O-CB 3.28Å; L478-C482 WeakPolarHBondContact O-CB 3.37Å; L478-C482 PolarHBondContact O-N 3.43Å; L478-V491 HydrophobicContact CB-CG1 4.39Å; L478-V491 HydrophobicContact CB-CG2 3.77Å; L478-V491 HydrophobicContact CD1-CG2 3.99Å
479F92.9Very high88.4Confident16 Ų1656.6 Ų56.67%0.0727%0.273CS..Hα-helixtrans-61.3-40.5-178.3-179.6-95.3000113.2L475 F476 W477 Q488 V491 A492 F502 W509L475-F479 WeakPolarHBondContact O-CB 3.4Å; L475-F479 PolarHBondContact O-N 3.5Å; F476-F479 PolarHBondContact O-N 2.84Å; F476-F479 VanDerWaalsContact O-N 3.17Å; W477-F479 PolarHBondContact O-N 3.43Å; F479-Q488 HydrophobicContact CD2-CG 3.71Å; F479-Q488 HydrophobicContact CE2-CG 3.83Å; F479-Q488 HydrophobicContact CG-CG 4.44Å; F479-Q488 PolarHBondContact O-NE2 2.82Å; F479-V491 HydrophobicContact CB-CG1 3.79Å; F479-A492 HydrophobicContact CD2-CB 4.13Å; F479-A492 HydrophobicContact CE2-CB 3.95Å; F479-F502 HydrophobicContact CE1-CD2 4.23Å; F479-F502 AromaticContact CE1-CE2 3.7Å; F479-F502 HydrophobicContact CE1-CE2 3.7Å; F479-F502 HydrophobicContact CE1-CZ 4.28Å; F479-F502 HydrophobicContact CZ-CD2 4.08Å; F479-F502 AromaticContact CZ-CE2 3.8Å; F479-F502 HydrophobicContact CZ-CE2 3.8Å; F479-F502 HydrophobicContact CZ-CZ 4.17Å; F479-W509 AromaticContact CD1-CD1 3.84Å; F479-W509 AromaticContact CD1-NE1 3.22Å; F479-W509 HydrophobicContact CD2-CZ2 4.01Å; F479-W509 AromaticContact CD2-NE1 3.64Å; F479-W509 AromaticContact CE1-CD1 3.89Å; F479-W509 AromaticContact CE1-NE1 3.17Å; F479-W509 AromaticContact CE2-CE2 3.96Å; F479-W509 AromaticContact CE2-CZ2 3.69Å; F479-W509 HydrophobicContact CE2-CZ2 3.69Å; F479-W509 AromaticContact CE2-NE1 3.6Å; F479-W509 AromaticContact CG-NE1 3.46Å; F479-W509 AromaticContact CZ-CE2 3.99Å; F479-W509 HydrophobicContact CZ-CZ2 4.08Å; F479-W509 AromaticContact CZ-NE1 3.37Å
480Y91.7Very high88.4Confident36 Ų3649.7 Ų49.714%0.14124%0.24CC..Hα-helixtrans-90.4-16.6-178.2-65.4-72.8000114.1M168 F476 W477 L478 C483 Q507 W532 P534M168-Y480 HydrophobicContact CE-CD1 4.34Å; M168-Y480 HydrophobicContact CE-CE1 4.33Å; F476-Y480 HydrophobicContact CB-CD2 4.45Å; F476-Y480 HydrophobicContact CB-CE2 4.37Å; F476-Y480 WeakPolarHBondContact O-CD2 3.31Å; F476-Y480 PolarHBondContact O-N 3.32Å; W477-Y480 PolarHBondContact O-N 3.14Å; L478-Y480 PolarHBondContact O-N 2.6Å; Y480-C483 PolarHBondContact O-SG 3.15Å; Y480-Q507 PolarHBondContact OH-O 2.62Å; Y480-W532 AromaticContact CE2-CD1 3.69Å; Y480-P534 HydrophobicContact CD1-CB 4.16Å; Y480-P534 HydrophobicContact CD2-CB 3.87Å; Y480-P534 HydrophobicContact CE1-CB 4.05Å; Y480-P534 HydrophobicContact CE1-CG 4.25Å; Y480-P534 HydrophobicContact CE2-CB 3.79Å; Y480-P534 HydrophobicContact CG-CB 4.08Å
481N87.3Confident88.5Confident40 Ų4048.2 Ų48.221%0.21423%0.233CC..Hα-helixtrans-102.1-40.5179-68.4-88000113.3R440 Q442 W477 L478 C483R440-N481 VanDerWaalsContact CD-O 3.29Å; R440-N481 WeakPolarHBondContact CD-O 3.29Å; R440-N481 PolarHBondContact NH1-O 3.05Å; Q442-N481 PolarHBondContact NE2-O 3.37Å; W477-N481 HydrophobicContact CZ2-CB 4.38Å; W477-N481 PolarHBondContact NE1-ND2 2.84Å; W477-N481 WeakPolarHBondContact O-CB 3.39Å; W477-N481 PolarHBondContact O-N 3.12Å; W477-N481 PolarHBondContact O-ND2 3.32Å; L478-N481 PolarHBondContact O-N 3.48Å; N481-C483 PolarHBondContact O-N 3.44Å
482C83.1Confident88.5Confident15 Ų1546 Ų4610%0.10122%0.217CC..SBendtrans-81.335.8176.8-69.80000112.8L478 R484 E485 A487 Q488L478-C482 VanDerWaalsContact O-CB 3.28Å; L478-C482 WeakPolarHBondContact O-CB 3.37Å; L478-C482 PolarHBondContact O-N 3.43Å; C482-R484 PolarHBondContact O-N 3.32Å; C482-E485 HydrophobicContact CB-CB 4.38Å; C482-E485 WeakPolarHBondContact CB-OE2 3.41Å; C482-E485 WeakPolarHBondContact O-CB 3.2Å; C482-E485 PolarHBondContact O-N 2.92Å; C482-E485 VanDerWaalsContact O-N 3.12Å; C482-E485 PolarHBondContact SG-OE2 3.1Å; C482-E485 VanDerWaalsContact SG-OE2 3.37Å; C482-A487 HydrophobicContact CB-CB 4.05Å; C482-Q488 WeakPolarHBondContact O-CB 3.27Å
483C77.3Confident88.3Confident45 Ų4544.3 Ų44.330%0.30421%0.209SC..THydrogen-bonded Turntrans-55.7136.2-177.4-74.40000112.6Y480 N481 E485 Q488Y480-C483 PolarHBondContact O-SG 3.15Å; N481-C483 PolarHBondContact O-N 3.44Å; C483-E485 PolarHBondContact O-N 2.99Å; C483-Q488 PolarHBondContact SG-NE2 2.8Å
484R71.5Confident88.1Confident174 Ų17439.4 Ų39.466%0.65719%0.186SC*.THydrogen-bonded Turntrans66.24-176.2-46.9-176.5-176.5-1607.1115.7D435 C482D435-R484 IonicContact OD2-CZ 3.44Å; D435-R484 IonicContact OD2-NH1 3.18Å; D435-R484 PolarHBondContact OD2-NH1 3.47Å; D435-R484 IonicContact OD2-NH2 3.09Å; D435-R484 PolarHBondContact OD2-NH2 3.16Å; C482-R484 PolarHBondContact O-N 3.32Å
485E80.5Confident88.2Confident61 Ų6136.7 Ų36.729%0.28517%0.17SC..SBendtrans-88157.1169.2-63.9162.9-147.900111.3R440 C482 C483 A487 Q488R440-E485 IonicContact CZ-OE1 3.52Å; R440-E485 IonicContact NH1-OE1 2.76Å; R440-E485 PolarHBondContact NH1-OE1 3.22Å; R440-E485 IonicContact NH2-OE1 3.46Å; R440-E485 PolarHBondContact NH2-OE1 2.7Å; C482-E485 HydrophobicContact CB-CB 4.38Å; C482-E485 WeakPolarHBondContact CB-OE2 3.41Å; C482-E485 WeakPolarHBondContact O-CB 3.2Å; C482-E485 PolarHBondContact O-N 2.92Å; C482-E485 VanDerWaalsContact O-N 3.12Å; C482-E485 PolarHBondContact SG-OE2 3.1Å; C482-E485 VanDerWaalsContact SG-OE2 3.37Å; C483-E485 PolarHBondContact O-N 2.99Å; E485-A487 HydrophobicContact CB-CB 4.26Å; E485-A487 PolarHBondContact O-N 3.45Å; E485-A487 VanDerWaalsContact O-N 3.15Å; E485-Q488 WeakPolarHBondContact O-CB 3.27Å; E485-Q488 PolarHBondContact O-N 2.87Å
486E83Confident88.1Confident63 Ų6340 Ų4029%0.29418%0.183SC..Hα-helixtrans-54.4-30.7171.2-158.5-177.7-13900112.3Q488 L489 V490 R559 L560 S561E486-Q488 PolarHBondContact O-N 3.07Å; E486-L489 PolarHBondContact O-N 2.83Å; E486-V490 WeakPolarHBondContact O-CG2 3.31Å; E486-V490 PolarHBondContact O-N 3.49Å; E486-V490 VanDerWaalsContact O-N 3.16Å; E486-R559 VanDerWaalsContact CD-O 3.27Å; E486-R559 WeakPolarHBondContact CG-O 3.27Å; E486-L560 HydrophobicContact CB-CD2 4.07Å; E486-L560 HydrophobicContact CG-CD2 3.97Å; E486-L560 VanDerWaalsContact OE2-CA 3.29Å; E486-L560 WeakPolarHBondContact OE2-CA 3.45Å; E486-S561 WeakPolarHBondContact OE1-CB 3.5Å; E486-S561 PolarHBondContact OE1-N 3.21Å; E486-S561 VanDerWaalsContact OE1-N 3.12Å; E486-S561 PolarHBondContact OE1-OG 3.49Å; E486-S561 PolarHBondContact OE2-N 3.43Å
487A84.7Confident88Confident13 Ų1345.4 Ų45.411%0.10721%0.208CC..Hα-helixtrans-55.5-45.1172.700000112.8C482 E485 L489 V490 V491C482-A487 HydrophobicContact CB-CB 4.05Å; E485-A487 HydrophobicContact CB-CB 4.26Å; E485-A487 PolarHBondContact O-N 3.45Å; E485-A487 VanDerWaalsContact O-N 3.15Å; A487-L489 VanDerWaalsContact C-N 3.31Å; A487-L489 PolarHBondContact O-N 2.66Å; A487-V490 PolarHBondContact O-N 2.94Å; A487-V491 VanDerWaalsContact O-CB 3.29Å; A487-V491 WeakPolarHBondContact O-CB 3.38Å; A487-V491 WeakPolarHBondContact O-CG2 3.22Å; A487-V491 PolarHBondContact O-N 3.45Å
488Q89.8Confident88Confident31 Ų3142 Ų4215%0.14520%0.195CC..Hα-helixtrans-60.8-40.5-179.9-177.4176.347.600111.9F479 C482 C483 E485 E486 A492F479-Q488 HydrophobicContact CD2-CG 3.71Å; F479-Q488 HydrophobicContact CE2-CG 3.83Å; F479-Q488 HydrophobicContact CG-CG 4.44Å; F479-Q488 PolarHBondContact O-NE2 2.82Å; C482-Q488 WeakPolarHBondContact O-CB 3.27Å; C483-Q488 PolarHBondContact SG-NE2 2.8Å; E485-Q488 WeakPolarHBondContact O-CB 3.27Å; E485-Q488 PolarHBondContact O-N 2.87Å; E486-Q488 PolarHBondContact O-N 3.07Å; Q488-A492 VanDerWaalsContact O-CB 3.24Å; Q488-A492 WeakPolarHBondContact O-CB 3.36Å; Q488-A492 PolarHBondContact O-N 2.86Å
489L89.1Confident88.1Confident66 Ų6647.5 Ų47.535%0.34622%0.22SC..Hα-helixtrans-69-38.8179.8-63.9170.4000112.1E486 A487 K493 F558E486-L489 PolarHBondContact O-N 2.83Å; A487-L489 VanDerWaalsContact C-N 3.31Å; A487-L489 PolarHBondContact O-N 2.66Å; L489-K493 PolarHBondContact O-N 2.88Å; L489-K493 VanDerWaalsContact O-N 3.16Å; L489-F558 HydrophobicContact CB-CB 4.27Å; L489-F558 HydrophobicContact CB-CD2 3.78Å; L489-F558 HydrophobicContact CB-CE2 4.34Å; L489-F558 HydrophobicContact CB-CG 4.01Å; L489-F558 HydrophobicContact CD1-CD1 3.95Å; L489-F558 HydrophobicContact CD1-CD2 3.97Å; L489-F558 HydrophobicContact CD1-CE1 3.89Å; L489-F558 HydrophobicContact CD1-CE2 3.9Å; L489-F558 HydrophobicContact CD1-CG 4.01Å; L489-F558 HydrophobicContact CD1-CZ 3.87Å; L489-F558 HydrophobicContact CD2-CD2 4.34Å; L489-F558 HydrophobicContact CD2-CE2 4.08Å; L489-F558 HydrophobicContact CG-CD2 4.26Å; L489-F558 HydrophobicContact CG-CE2 4.34Å
490V88.2Confident88.3Confident1 Ų146.8 Ų46.81%0.00622%0.217CC..Hα-helixtrans-72.3-40.7178.41690000111.4M467 E486 A487 K493 E494 F558 L560 A567M467-V490 HydrophobicContact CE-CG1 4.03Å; M467-V490 HydrophobicContact CG-CG1 4.4Å; E486-V490 WeakPolarHBondContact O-CG2 3.31Å; E486-V490 PolarHBondContact O-N 3.49Å; E486-V490 VanDerWaalsContact O-N 3.16Å; A487-V490 PolarHBondContact O-N 2.94Å; V490-K493 WeakPolarHBondContact O-CB 3.34Å; V490-K493 PolarHBondContact O-N 2.69Å; V490-E494 PolarHBondContact O-N 2.88Å; V490-E494 VanDerWaalsContact O-N 3.08Å; V490-F558 HydrophobicContact CG2-CB 4.26Å; V490-L560 HydrophobicContact CB-CD2 4.11Å; V490-L560 HydrophobicContact CB-CG 4.38Å; V490-L560 HydrophobicContact CG1-CD2 4.5Å; V490-L560 HydrophobicContact CG1-CG 4.27Å; V490-L560 HydrophobicContact CG2-CD2 3.75Å; V490-L560 HydrophobicContact CG2-CG 3.99Å; V490-A567 HydrophobicContact CG1-CB 3.46Å; V490-A567 VanDerWaalsContact CG1-CB 3.46Å
491V91.5Very high88.4Confident0 Ų048 Ų480%022%0.221CC..Hα-helixtrans-62.3-44.9172.2166.80000111.5M467 L475 L478 F479 A487 K493 E494 L495M467-V491 HydrophobicContact CE-CG2 3.76Å; M467-V491 HydrophobicContact SD-CG2 3.56Å; M467-V491 VanDerWaalsContact SD-CG2 3.56Å; L475-V491 HydrophobicContact CB-CG1 4.05Å; L475-V491 HydrophobicContact CD2-CG1 4.16Å; L475-V491 HydrophobicContact CD2-CG2 4.2Å; L475-V491 WeakPolarHBondContact O-CG1 3.44Å; L478-V491 HydrophobicContact CB-CG1 4.39Å; L478-V491 HydrophobicContact CB-CG2 3.77Å; L478-V491 HydrophobicContact CD1-CG2 3.99Å; F479-V491 HydrophobicContact CB-CG1 3.79Å; A487-V491 VanDerWaalsContact O-CB 3.29Å; A487-V491 WeakPolarHBondContact O-CB 3.38Å; A487-V491 WeakPolarHBondContact O-CG2 3.22Å; A487-V491 PolarHBondContact O-N 3.45Å; V491-K493 PolarHBondContact O-N 2.91Å; V491-E494 PolarHBondContact O-N 3.25Å; V491-L495 HydrophobicContact CG1-CD1 4.06Å; V491-L495 WeakPolarHBondContact O-CG 3.47Å; V491-L495 PolarHBondContact O-N 3.48Å
492A92.8Very high88.8Confident8 Ų847.5 Ų47.57%0.06622%0.217CC..Hα-helixtrans-59.5-35.2175.800000112.2F479 Q488 Y496 W509 P555F479-A492 HydrophobicContact CD2-CB 4.13Å; F479-A492 HydrophobicContact CE2-CB 3.95Å; Q488-A492 VanDerWaalsContact O-CB 3.24Å; Q488-A492 WeakPolarHBondContact O-CB 3.36Å; Q488-A492 PolarHBondContact O-N 2.86Å; A492-Y496 WeakPolarHBondContact O-CB 3.37Å; A492-Y496 PolarHBondContact O-N 3.47Å; A492-W509 HydrophobicContact CB-CH2 3.88Å; A492-W509 HydrophobicContact CB-CZ2 3.66Å; A492-W509 WeakPolarHBondContact O-CH2 3.47Å; A492-P555 HydrophobicContact CB-CG 3.79Å
493K89.8Confident89.4Confident25 Ų2547.2 Ų47.211%0.10921%0.214CC..Hα-helixtrans-70.1-41.4176.9-162.1-177.3-175.6-168.70112L489 V490 V491 Y496 Q497 P555 F558 V569L489-K493 PolarHBondContact O-N 2.88Å; L489-K493 VanDerWaalsContact O-N 3.16Å; V490-K493 WeakPolarHBondContact O-CB 3.34Å; V490-K493 PolarHBondContact O-N 2.69Å; V491-K493 PolarHBondContact O-N 2.91Å; K493-Y496 PolarHBondContact O-N 3.01Å; K493-Q497 WeakPolarHBondContact O-CG 3.5Å; K493-Q497 PolarHBondContact O-N 3.37Å; K493-Q497 VanDerWaalsContact O-N 3.07Å; K493-P555 HydrophobicContact CB-CB 4.42Å; K493-F558 PolarHBondContact NZ-O 3.21Å; K493-V569 HydrophobicContact CD-CB 3.8Å; K493-V569 HydrophobicContact CD-CG1 3.7Å; K493-V569 HydrophobicContact CD-CG2 4.25Å; K493-V569 VanDerWaalsContact CE-CG1 3.46Å; K493-V569 HydrophobicContact CG-CG1 4.09Å; K493-V569 PolarHBondContact NZ-O 3.41Å
494E91.2Very high90.2Very high16 Ų1649.2 Ų49.28%0.07522%0.218CC..Hα-helixtrans-63.3-46.9173.5177.768.1-149.300111.3M467 N468 L475 V490 V491 Y496 Q497 R498M467-E494 HydrophobicContact CG-CB 4Å; M467-E494 HydrophobicContact CG-CG 4.09Å; N468-E494 WeakPolarHBondContact CA-OE1 3.45Å; L475-E494 HydrophobicContact CD1-CB 4.37Å; L475-E494 HydrophobicContact CD1-CG 3.52Å; L475-E494 HydrophobicContact CD2-CB 4.48Å; L475-E494 HydrophobicContact CD2-CG 4.08Å; L475-E494 HydrophobicContact CG-CG 4.48Å; V490-E494 PolarHBondContact O-N 2.88Å; V490-E494 VanDerWaalsContact O-N 3.08Å; V491-E494 PolarHBondContact O-N 3.25Å; E494-Y496 VanDerWaalsContact C-N 3.3Å; E494-Y496 PolarHBondContact O-N 2.76Å; E494-Q497 WeakPolarHBondContact O-CB 3.32Å; E494-Q497 PolarHBondContact O-N 3.49Å; E494-Q497 VanDerWaalsContact O-N 3.09Å; E494-R498 WeakPolarHBondContact O-CG 3.48Å; E494-R498 PolarHBondContact O-N 3.43Å; E494-R498 IonicContact OE1-CZ 3.22Å; E494-R498 IonicContact OE1-NE 2.78Å; E494-R498 PolarHBondContact OE1-NE 2.84Å; E494-R498 IonicContact OE1-NH2 2.8Å; E494-R498 PolarHBondContact OE1-NH2 3.17Å
495L94.3Very high91.2Very high0 Ų047.2 Ų47.20%021%0.214CC..Hα-helixtrans-58-42.3174.2-72.6171.5000111.6L475 F476 V491 Q497 R498 W500 W509L475-L495 HydrophobicContact CB-CD1 4.42Å; L475-L495 HydrophobicContact CB-CD2 3.82Å; L475-L495 HydrophobicContact CB-CG 4.08Å; L475-L495 HydrophobicContact CD1-CD2 3.99Å; L475-L495 HydrophobicContact CD1-CG 4.34Å; F476-L495 HydrophobicContact CD1-CD1 3.79Å; F476-L495 HydrophobicContact CD1-CD2 4.09Å; F476-L495 HydrophobicContact CE1-CD1 3.74Å; F476-L495 HydrophobicContact CE1-CD2 3.56Å; F476-L495 HydrophobicContact CE1-CG 4.29Å; F476-L495 HydrophobicContact CZ-CD2 3.85Å; V491-L495 HydrophobicContact CG1-CD1 4.06Å; V491-L495 WeakPolarHBondContact O-CG 3.47Å; V491-L495 PolarHBondContact O-N 3.48Å; L495-Q497 VanDerWaalsContact C-N 3.3Å; L495-Q497 PolarHBondContact O-N 3.11Å; L495-R498 CarbonylContact O-C 3.55Å; L495-R498 WeakPolarHBondContact O-CA 3.1Å; L495-R498 PolarHBondContact O-N 3.37Å; L495-R498 VanDerWaalsContact O-N 3.08Å; L495-W500 HydrophobicContact CB-CB 4.35Å; L495-W500 WeakPolarHBondContact O-CB 3.29Å; L495-W500 PolarHBondContact O-N 2.57Å; L495-W500 VanDerWaalsContact O-N 3.11Å; L495-W509 HydrophobicContact CB-CD2 4.42Å; L495-W509 HydrophobicContact CB-CE3 4.13Å; L495-W509 HydrophobicContact CB-CH2 4Å; L495-W509 HydrophobicContact CB-CZ2 4.31Å; L495-W509 HydrophobicContact CB-CZ3 3.91Å; L495-W509 HydrophobicContact CD1-CD2 3.98Å; L495-W509 HydrophobicContact CD1-CG 4.33Å; L495-W509 HydrophobicContact CD1-CZ2 3.98Å
496Y93.3Very high91.8Very high70 Ų7050 Ų5028%0.27523%0.227SC..Hα-helixtrans-62.5-35.3175.6-167.1-79.9000113A492 K493 E494 R498 E499 W500 R501 A554A492-Y496 WeakPolarHBondContact O-CB 3.37Å; A492-Y496 PolarHBondContact O-N 3.47Å; K493-Y496 PolarHBondContact O-N 3.01Å; E494-Y496 VanDerWaalsContact C-N 3.3Å; E494-Y496 PolarHBondContact O-N 2.76Å; Y496-R498 VanDerWaalsContact C-N 3.32Å; Y496-E499 PolarHBondContact O-N 3.23Å; Y496-W500 WeakPolarHBondContact CA-O 3.41Å; Y496-R501 PolarHBondContact O-NH1 3.19Å; Y496-A554 HydrophobicContact CD1-CB 3.85Å; Y496-A554 HydrophobicContact CD2-CB 4.3Å; Y496-A554 HydrophobicContact CE1-CB 3.61Å; Y496-A554 HydrophobicContact CE2-CB 4.07Å; Y496-A554 HydrophobicContact CG-CB 4.2Å
497Q91.4Very high92.3Very high114 Ų11450.2 Ų50.253%0.53323%0.228SC..Hα-helixtrans-69.8-28.5174-72.4-175.3-45.500112.6K493 E494 L495 E499K493-Q497 WeakPolarHBondContact O-CG 3.5Å; K493-Q497 PolarHBondContact O-N 3.37Å; K493-Q497 VanDerWaalsContact O-N 3.07Å; E494-Q497 WeakPolarHBondContact O-CB 3.32Å; E494-Q497 PolarHBondContact O-N 3.49Å; E494-Q497 VanDerWaalsContact O-N 3.09Å; L495-Q497 VanDerWaalsContact C-N 3.3Å; L495-Q497 PolarHBondContact O-N 3.11Å; Q497-E499 PolarHBondContact O-N 3.18Å
498R93.1Very high92.8Very high63 Ų6350.6 Ų50.624%0.23823%0.228CC..THydrogen-bonded Turntrans-83.128.4171.3-61.1176.5-170.6-159.34.2113.4M467 N468 L470 L475 E494 L495 Y496 W500M467-R498 PolarHBondContact O-NH2 3.32Å; N468-R498 PolarHBondContact O-NH2 3.41Å; N468-R498 VanDerWaalsContact O-NH2 3.16Å; L470-R498 PolarHBondContact O-NH1 3.01Å; L470-R498 PolarHBondContact O-NH2 3.1Å; L475-R498 VanDerWaalsContact CD1-CZ 3.42Å; E494-R498 WeakPolarHBondContact O-CG 3.48Å; E494-R498 PolarHBondContact O-N 3.43Å; E494-R498 IonicContact OE1-CZ 3.22Å; E494-R498 IonicContact OE1-NE 2.78Å; E494-R498 PolarHBondContact OE1-NE 2.84Å; E494-R498 IonicContact OE1-NH2 2.8Å; E494-R498 PolarHBondContact OE1-NH2 3.17Å; L495-R498 CarbonylContact O-C 3.55Å; L495-R498 WeakPolarHBondContact O-CA 3.1Å; L495-R498 PolarHBondContact O-N 3.37Å; L495-R498 VanDerWaalsContact O-N 3.08Å; Y496-R498 VanDerWaalsContact C-N 3.32Å; R498-W500 PolarHBondContact O-N 3.48Å
499E94Very high93.1Very high141 Ų14149.4 Ų49.466%0.65922%0.222SC*.THydrogen-bonded Turntrans61.74.7179.8-52.1-160.9119.800116.9Y496 Q497 T511Y496-E499 PolarHBondContact O-N 3.23Å; Q497-E499 PolarHBondContact O-N 3.18Å; E499-T511 PolarHBondContact O-OG1 2.88Å
500W95.9Very high93.4Very high0 Ų046.6 Ų46.60%021%0.207CC..  trans-73.8147.4174.5-65.284.8000112.2E472 F476 L495 Y496 R498 W509 L510 T511 K539E472-W500 PolarHBondContact OE1-NE1 3.35Å; E472-W500 WeakPolarHBondContact OE2-CZ2 3.44Å; F476-W500 HydrophobicContact CE1-CD2 4.43Å; F476-W500 HydrophobicContact CE1-CE3 4.41Å; F476-W500 HydrophobicContact CE2-CH2 4.02Å; F476-W500 AromaticContact CE2-CZ2 3.9Å; F476-W500 HydrophobicContact CE2-CZ2 3.9Å; F476-W500 AromaticContact CZ-CD2 3.76Å; F476-W500 HydrophobicContact CZ-CD2 3.76Å; F476-W500 AromaticContact CZ-CE2 3.65Å; F476-W500 AromaticContact CZ-CE3 3.84Å; F476-W500 HydrophobicContact CZ-CE3 3.84Å; F476-W500 HydrophobicContact CZ-CG 4.43Å; F476-W500 AromaticContact CZ-CH2 3.7Å; F476-W500 HydrophobicContact CZ-CH2 3.7Å; F476-W500 AromaticContact CZ-CZ2 3.61Å; F476-W500 HydrophobicContact CZ-CZ2 3.61Å; F476-W500 AromaticContact CZ-CZ3 3.83Å; F476-W500 HydrophobicContact CZ-CZ3 3.83Å; L495-W500 HydrophobicContact CB-CB 4.35Å; L495-W500 WeakPolarHBondContact O-CB 3.29Å; L495-W500 PolarHBondContact O-N 2.57Å; L495-W500 VanDerWaalsContact O-N 3.11Å; Y496-W500 WeakPolarHBondContact CA-O 3.41Å; R498-W500 PolarHBondContact O-N 3.48Å; W500-W509 HydrophobicContact CB-CE3 3.74Å; W500-W509 HydrophobicContact CB-CZ3 4.27Å; W500-W509 HydrophobicContact CE3-CB 3.98Å; W500-W509 HydrophobicContact CZ3-CB 4.48Å; W500-L510 CarbonylContact C-O 3.57Å; W500-L510 WeakPolarHBondContact CA-O 3.43Å; W500-L510 VanDerWaalsContact CE3-C 3.41Å; W500-T511 HydrophobicContact CD2-CG2 3.84Å; W500-T511 HydrophobicContact CE3-CG2 3.91Å; W500-T511 HydrophobicContact CH2-CG2 4.05Å; W500-T511 HydrophobicContact CZ2-CG2 3.96Å; W500-T511 HydrophobicContact CZ3-CG2 4.01Å; W500-K539 HydrophobicContact CH2-CD 4.15Å; W500-K539 HydrophobicContact CH2-CG 4.22Å; W500-K539 HydrophobicContact CZ2-CD 4.25Å
501R95.2Very high93.8Very high63 Ų6347.6 Ų47.624%0.23821%0.213CC..EExtended strand (participates in β ladder)trans-126.5140.3176.2-55-64.3171-108.20.9109.2Y496 W509 L510 L551Y496-R501 PolarHBondContact O-NH1 3.19Å; R501-W509 VanDerWaalsContact C-CE3 3.5Å; R501-W509 WeakPolarHBondContact O-CA 3.42Å; R501-L510 PolarHBondContact N-O 3.28Å; R501-L510 PolarHBondContact O-N 3.03Å; R501-L551 HydrophobicContact CB-CD1 4.18Å; R501-L551 HydrophobicContact CB-CD2 3.96Å; R501-L551 HydrophobicContact CG-CD1 4.35Å
502F95.8Very high94Very high28 Ų2853.5 Ų53.512%0.12324%0.236CC..EExtended strand (participates in β ladder)trans-90.8129.7176.8-170.3-111.1000109.8F479 Q507 I508 W509 L551 D552F479-F502 HydrophobicContact CE1-CD2 4.23Å; F479-F502 AromaticContact CE1-CE2 3.7Å; F479-F502 HydrophobicContact CE1-CE2 3.7Å; F479-F502 HydrophobicContact CE1-CZ 4.28Å; F479-F502 HydrophobicContact CZ-CD2 4.08Å; F479-F502 AromaticContact CZ-CE2 3.8Å; F479-F502 HydrophobicContact CZ-CE2 3.8Å; F479-F502 HydrophobicContact CZ-CZ 4.17Å; F502-Q507 VanDerWaalsContact CE2-C 3.45Å; F502-Q507 VanDerWaalsContact CE2-O 3.29Å; F502-Q507 WeakPolarHBondContact CE2-O 3.36Å; F502-Q507 HydrophobicContact CZ-CB 4.05Å; F502-I508 WeakPolarHBondContact CD2-O 3.12Å; F502-W509 HydrophobicContact CB-CD2 4.1Å; F502-W509 HydrophobicContact CB-CE3 4.01Å; F502-W509 HydrophobicContact CB-CH2 4.04Å; F502-W509 HydrophobicContact CB-CZ2 4.09Å; F502-W509 HydrophobicContact CB-CZ3 4Å; F502-W509 AromaticContact CD2-CD1 3.78Å; F502-W509 AromaticContact CD2-CD2 3.94Å; F502-W509 HydrophobicContact CD2-CD2 3.94Å; F502-W509 AromaticContact CD2-CE2 3.74Å; F502-W509 AromaticContact CD2-CG 3.99Å; F502-W509 HydrophobicContact CD2-CG 3.99Å; F502-W509 HydrophobicContact CD2-CZ2 4.32Å; F502-W509 AromaticContact CD2-NE1 3.61Å; F502-W509 HydrophobicContact CG-CZ2 4.47Å; F502-L551 CarbonylContact O-C 3.58Å; F502-L551 WeakPolarHBondContact O-CA 3.48Å; F502-D552 HydrophobicContact CB-CB 4.36Å; F502-D552 PolarHBondContact O-N 2.64Å
503H95.1Very high94.2Very high9 Ų954.4 Ų54.44%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-101.9106.6-179-172.6-90.4000110.1K505 E506 Q507 I508 L510 L551H503-K505 VanDerWaalsContact C-N 3.28Å; H503-K505 PolarHBondContact O-N 3Å; H503-K505 VanDerWaalsContact O-N 3.14Å; H503-E506 WeakPolarHBondContact ND1-CG 3.3Å; H503-E506 PolarHBondContact ND1-N 2.88Å; H503-E506 PolarHBondContact O-N 3.04Å; H503-Q507 WeakPolarHBondContact O-CA 3.41Å; H503-Q507 PolarHBondContact O-N 3.43Å; H503-I508 HydrophobicContact CB-CG1 4.34Å; H503-I508 PolarHBondContact N-O 3.3Å; H503-L510 HydrophobicContact CB-CD2 3.81Å; H503-L551 HydrophobicContact CB-CD2 4.22Å
504K94.2Very high94.3Very high88 Ų8860.3 Ų60.338%0.38328%0.277SS..THydrogen-bonded Turntrans-65.7-22.7-162-61.9174.1-58.6-144.80114.9S549 D550 L551 D552K504-S549 WeakPolarHBondContact CE-O 3.48Å; K504-S549 PolarHBondContact NZ-O 3.01Å; K504-D550 WeakPolarHBondContact CB-O 3.48Å; K504-D550 VanDerWaalsContact CE-O 3.29Å; K504-D550 WeakPolarHBondContact CE-O 3.41Å; K504-D550 WeakPolarHBondContact CG-O 3.45Å; K504-D550 PolarHBondContact N-O 3.4Å; K504-L551 VanDerWaalsContact CE-O 3.32Å; K504-L551 WeakPolarHBondContact CE-O 3.46Å; K504-L551 PolarHBondContact NZ-O 3.16Å; K504-D552 HydrophobicContact CD-CB 3.92Å; K504-D552 HydrophobicContact CG-CB 3.88Å
505K92.9Very high94.3Very high131 Ų13163.2 Ų63.257%0.5731%0.311SS*.THydrogen-bonded Turntrans-82-59.7178.1-66.3176.8-179.9166.50111.5H503 Q507 D550H503-K505 VanDerWaalsContact C-N 3.28Å; H503-K505 PolarHBondContact O-N 3Å; H503-K505 VanDerWaalsContact O-N 3.14Å; K505-Q507 PolarHBondContact O-N 3.13Å; K505-D550 HydrophobicContact CD-CB 4.38Å; K505-D550 WeakPolarHBondContact CE-OD1 3.47Å; K505-D550 VanDerWaalsContact CE-OD2 3.3Å; K505-D550 WeakPolarHBondContact CE-OD2 3.3Å; K505-D550 IonicContact NZ-OD1 2.94Å; K505-D550 PolarHBondContact NZ-OD1 2.84Å; K505-D550 IonicContact NZ-OD2 2.66Å; K505-D550 PolarHBondContact NZ-OD2 3.5Å
506E91.7Very high94.2Very high120 Ų12064.3 Ų64.356%0.56132%0.32SS*.THydrogen-bonded Turntrans-69.1-15.4177.3-56.2-47.112400114H503 I508H503-E506 WeakPolarHBondContact ND1-CG 3.3Å; H503-E506 PolarHBondContact ND1-N 2.88Å; H503-E506 PolarHBondContact O-N 3.04Å; E506-I508 VanDerWaalsContact C-N 3.25Å; E506-I508 HydrophobicContact CB-CD1 3.96Å; E506-I508 HydrophobicContact CB-CG1 3.91Å; E506-I508 PolarHBondContact O-N 2.97Å
507Q93.6Very high94.1Very high67 Ų6768 Ų6831%0.31335%0.345SS..THydrogen-bonded Turntrans5829.9-177.4-56.6-169.1-37.200115.1M168 Y480 F502 H503 K505M168-Q507 HydrophobicContact CE-CB 4.33Å; Y480-Q507 PolarHBondContact OH-O 2.62Å; F502-Q507 VanDerWaalsContact CE2-C 3.45Å; F502-Q507 VanDerWaalsContact CE2-O 3.29Å; F502-Q507 WeakPolarHBondContact CE2-O 3.36Å; F502-Q507 HydrophobicContact CZ-CB 4.05Å; H503-Q507 WeakPolarHBondContact O-CA 3.41Å; H503-Q507 PolarHBondContact O-N 3.43Å; K505-Q507 PolarHBondContact O-N 3.13Å
508I95.2Very high94.1Very high21 Ų2165.3 Ų65.311%0.10833%0.331CS..EExtended strand (participates in β ladder)trans-109.8154.8178.363.8-173.2000112.4F502 H503 E506 F531 M544F502-I508 WeakPolarHBondContact CD2-O 3.12Å; H503-I508 HydrophobicContact CB-CG1 4.34Å; H503-I508 PolarHBondContact N-O 3.3Å; E506-I508 VanDerWaalsContact C-N 3.25Å; E506-I508 HydrophobicContact CB-CD1 3.96Å; E506-I508 HydrophobicContact CB-CG1 3.91Å; E506-I508 PolarHBondContact O-N 2.97Å; I508-F531 HydrophobicContact CD1-CB 4.02Å; I508-F531 HydrophobicContact CD1-CD2 3.96Å; I508-F531 HydrophobicContact CD1-CG 4.17Å; I508-F531 HydrophobicContact CG2-CD2 4.48Å; I508-M544 HydrophobicContact CD1-CE 4.33Å
509W97Very high94.1Very high7 Ų767.3 Ų67.33%0.02735%0.35CS..EExtended strand (participates in β ladder)trans-88.7134.7163.3-73.495.2000110.2F476 F479 A492 L495 W500 R501 F502 F531 W532F476-W509 HydrophobicContact CD1-CB 4.26Å; F476-W509 AromaticContact CD1-CD1 3.97Å; F476-W509 HydrophobicContact CD1-CG 4.19Å; F476-W509 HydrophobicContact CE1-CB 3.51Å; F476-W509 AromaticContact CE1-CD1 3.96Å; F476-W509 HydrophobicContact CE1-CD2 4.49Å; F476-W509 AromaticContact CE1-CG 3.71Å; F476-W509 HydrophobicContact CE1-CG 3.71Å; F476-W509 HydrophobicContact CZ-CB 4.27Å; F479-W509 AromaticContact CD1-CD1 3.84Å; F479-W509 AromaticContact CD1-NE1 3.22Å; F479-W509 HydrophobicContact CD2-CZ2 4.01Å; F479-W509 AromaticContact CD2-NE1 3.64Å; F479-W509 AromaticContact CE1-CD1 3.89Å; F479-W509 AromaticContact CE1-NE1 3.17Å; F479-W509 AromaticContact CE2-CE2 3.96Å; F479-W509 AromaticContact CE2-CZ2 3.69Å; F479-W509 HydrophobicContact CE2-CZ2 3.69Å; F479-W509 AromaticContact CE2-NE1 3.6Å; F479-W509 AromaticContact CG-NE1 3.46Å; F479-W509 AromaticContact CZ-CE2 3.99Å; F479-W509 HydrophobicContact CZ-CZ2 4.08Å; F479-W509 AromaticContact CZ-NE1 3.37Å; A492-W509 HydrophobicContact CB-CH2 3.88Å; A492-W509 HydrophobicContact CB-CZ2 3.66Å; A492-W509 WeakPolarHBondContact O-CH2 3.47Å; L495-W509 HydrophobicContact CB-CD2 4.42Å; L495-W509 HydrophobicContact CB-CE3 4.13Å; L495-W509 HydrophobicContact CB-CH2 4Å; L495-W509 HydrophobicContact CB-CZ2 4.31Å; L495-W509 HydrophobicContact CB-CZ3 3.91Å; L495-W509 HydrophobicContact CD1-CD2 3.98Å; L495-W509 HydrophobicContact CD1-CG 4.33Å; L495-W509 HydrophobicContact CD1-CZ2 3.98Å; W500-W509 HydrophobicContact CB-CE3 3.74Å; W500-W509 HydrophobicContact CB-CZ3 4.27Å; W500-W509 HydrophobicContact CE3-CB 3.98Å; W500-W509 HydrophobicContact CZ3-CB 4.48Å; R501-W509 VanDerWaalsContact C-CE3 3.5Å; R501-W509 WeakPolarHBondContact O-CA 3.42Å; F502-W509 HydrophobicContact CB-CD2 4.1Å; F502-W509 HydrophobicContact CB-CE3 4.01Å; F502-W509 HydrophobicContact CB-CH2 4.04Å; F502-W509 HydrophobicContact CB-CZ2 4.09Å; F502-W509 HydrophobicContact CB-CZ3 4Å; F502-W509 AromaticContact CD2-CD1 3.78Å; F502-W509 AromaticContact CD2-CD2 3.94Å; F502-W509 HydrophobicContact CD2-CD2 3.94Å; F502-W509 AromaticContact CD2-CE2 3.74Å; F502-W509 AromaticContact CD2-CG 3.99Å; F502-W509 HydrophobicContact CD2-CG 3.99Å; F502-W509 HydrophobicContact CD2-CZ2 4.32Å; F502-W509 AromaticContact CD2-NE1 3.61Å; F502-W509 HydrophobicContact CG-CZ2 4.47Å; W509-F531 CarbonylContact O-C 3.44Å; W509-F531 VanDerWaalsContact O-CA 3.27Å; W509-F531 WeakPolarHBondContact O-CA 3.35Å; W509-W532 PolarHBondContact O-N 3.43Å
510L96.2Very high94Very high6 Ų664.5 Ų64.53%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-136.4157177.563.786.2000113.1W500 R501 H503 Y529 Y530 F531 I546 L551W500-L510 CarbonylContact C-O 3.57Å; W500-L510 WeakPolarHBondContact CA-O 3.43Å; W500-L510 VanDerWaalsContact CE3-C 3.41Å; R501-L510 PolarHBondContact N-O 3.28Å; R501-L510 PolarHBondContact O-N 3.03Å; H503-L510 HydrophobicContact CB-CD2 3.81Å; L510-Y529 HydrophobicContact CD1-CD1 3.82Å; L510-Y529 HydrophobicContact CD1-CE1 4.23Å; L510-Y529 HydrophobicContact CD1-CG 4.48Å; L510-Y530 CarbonylContact C-O 3.58Å; L510-Y530 WeakPolarHBondContact CA-O 3.38Å; L510-F531 HydrophobicContact CB-CB 4.12Å; L510-I546 HydrophobicContact CD1-CD1 4.37Å; L510-I546 HydrophobicContact CD2-CD1 3.6Å; L510-L551 HydrophobicContact CD1-CD2 4.39Å
511T96.4Very high93.8Very high22 Ų2268.3 Ų68.314%0.13537%0.367CS..EExtended strand (participates in β ladder)trans-148.2155.3173.1-172.50000110.5E499 W500 Y529 Y530E499-T511 PolarHBondContact O-OG1 2.88Å; W500-T511 HydrophobicContact CD2-CG2 3.84Å; W500-T511 HydrophobicContact CE3-CG2 3.91Å; W500-T511 HydrophobicContact CH2-CG2 4.05Å; W500-T511 HydrophobicContact CZ2-CG2 3.96Å; W500-T511 HydrophobicContact CZ3-CG2 4.01Å; T511-Y529 CarbonylContact O-C 3.44Å; T511-Y529 WeakPolarHBondContact O-CA 3.4Å; T511-Y529 WeakPolarHBondContact O-CB 3.24Å; T511-Y530 PolarHBondContact N-O 3.3Å; T511-Y530 PolarHBondContact O-N 3.07Å
512R95.4Very high93.6Very high125 Ų12572.6 Ų72.647%0.47240%0.395SS..EExtended strand (participates in β ladder)trans-68.7141.6-177.9-71.3-170.1-173.8147.65111.1V514 F518 E525 Y529R512-V514 PolarHBondContact O-N 3.33Å; R512-F518 HydrophobicContact CB-CE1 4.07Å; R512-F518 HydrophobicContact CB-CE2 3.99Å; R512-F518 HydrophobicContact CB-CZ 3.48Å; R512-F518 VanDerWaalsContact CB-CZ 3.48Å; R512-F518 HydrophobicContact CG-CD1 4.3Å; R512-F518 HydrophobicContact CG-CE1 3.64Å; R512-F518 HydrophobicContact CG-CE2 4.16Å; R512-F518 HydrophobicContact CG-CZ 3.57Å; R512-E525 IonicContact CZ-OE1 2.69Å; R512-E525 IonicContact CZ-OE2 2.76Å; R512-E525 IonicContact NE-OE1 2.7Å; R512-E525 IonicContact NE-OE2 3.14Å; R512-E525 PolarHBondContact NE-OE2 2.86Å; R512-E525 IonicContact NH2-OE1 3.95Å; R512-E525 PolarHBondContact NH2-OE1 2.92Å; R512-E525 IonicContact NH2-OE2 2.73Å; R512-E525 PolarHBondContact NH2-OE2 3.29Å; R512-Y529 HydrophobicContact CG-CD1 4.13Å; R512-Y529 HydrophobicContact CG-CE1 3.76Å
513I95.7Very high93.5Very high27 Ų2776.4 Ų76.414%0.13842%0.416CS..PPolyproline II helixtrans-74123.9169.3-62.5-175000109.4G515 A516 D528 Y530 T541I513-G515 PolarHBondContact O-N 2.96Å; I513-A516 HydrophobicContact CB-CB 3.94Å; I513-A516 HydrophobicContact CG2-CB 4.25Å; I513-A516 WeakPolarHBondContact O-CB 3.3Å; I513-A516 PolarHBondContact O-N 3.41Å; I513-A516 VanDerWaalsContact O-N 3.09Å; I513-D528 WeakPolarHBondContact CB-O 3.4Å; I513-D528 HydrophobicContact CD1-CB 4.1Å; I513-D528 WeakPolarHBondContact CG1-O 3.41Å; I513-D528 PolarHBondContact N-O 2.95Å; I513-D528 VanDerWaalsContact N-O 3.11Å; I513-Y530 HydrophobicContact CB-CE2 4.31Å; I513-Y530 HydrophobicContact CD1-CD1 4.01Å; I513-Y530 HydrophobicContact CD1-CE1 3.87Å; I513-Y530 HydrophobicContact CD1-CE2 4.4Å; I513-Y530 HydrophobicContact CD1-CG 4.32Å; I513-Y530 HydrophobicContact CG1-CD1 4.08Å; I513-Y530 HydrophobicContact CG1-CD2 3.74Å; I513-Y530 HydrophobicContact CG1-CE1 4.11Å; I513-Y530 HydrophobicContact CG1-CE2 3.77Å; I513-Y530 HydrophobicContact CG1-CG 3.89Å; I513-Y530 HydrophobicContact CG2-CE2 4.22Å; I513-T541 HydrophobicContact CD1-CG2 3.55Å
514V92.8Very high93.4Very high149 Ų14976.9 Ų76.990%0.90342%0.42SS*.THydrogen-bonded Turntrans-63.3119.2178.2-178.50000109.5R512R512-V514 PolarHBondContact O-N 3.33Å
515G90.6Very high93.4Very high76 Ų7673.3 Ų73.378%0.78441%0.405SS*.THydrogen-bonded Turntrans90.8-2.9-177.700000115.5I513I513-G515 PolarHBondContact O-N 2.96Å
516A92.2Very high93.5Very high23 Ų2371.4 Ų71.419%0.1940%0.398CS..  trans-72.2154.7168.600000111.5I513 F518 D528I513-A516 HydrophobicContact CB-CB 3.94Å; I513-A516 HydrophobicContact CG2-CB 4.25Å; I513-A516 WeakPolarHBondContact O-CB 3.3Å; I513-A516 PolarHBondContact O-N 3.41Å; I513-A516 VanDerWaalsContact O-N 3.09Å; A516-F518 HydrophobicContact CB-CE2 3.81Å; A516-F518 HydrophobicContact CB-CZ 4.01Å; A516-F518 VanDerWaalsContact O-CD2 3.31Å; A516-F518 WeakPolarHBondContact O-CD2 3.41Å; A516-F518 WeakPolarHBondContact O-CE2 3.06Å; A516-D528 HydrophobicContact CB-CB 4.06Å
517N91.1Very high93.7Very high148 Ų14865.9 Ų65.979%0.79137%0.373SS*.  trans-89129.8176.5-68.6-71.2000110.2
518F93.1Very high93.8Very high57 Ų5765 Ų6525%0.2537%0.371CS..  trans-115.7131.3179.1-65.2-90.1000110.8R512 A516 Q526 D528 Y529R512-F518 HydrophobicContact CB-CE1 4.07Å; R512-F518 HydrophobicContact CB-CE2 3.99Å; R512-F518 HydrophobicContact CB-CZ 3.48Å; R512-F518 VanDerWaalsContact CB-CZ 3.48Å; R512-F518 HydrophobicContact CG-CD1 4.3Å; R512-F518 HydrophobicContact CG-CE1 3.64Å; R512-F518 HydrophobicContact CG-CE2 4.16Å; R512-F518 HydrophobicContact CG-CZ 3.57Å; A516-F518 HydrophobicContact CB-CE2 3.81Å; A516-F518 HydrophobicContact CB-CZ 4.01Å; A516-F518 VanDerWaalsContact O-CD2 3.31Å; A516-F518 WeakPolarHBondContact O-CD2 3.41Å; A516-F518 WeakPolarHBondContact O-CE2 3.06Å; F518-Q526 CarbonylContact C-O 3.55Å; F518-Q526 WeakPolarHBondContact CA-O 3.15Å; F518-D528 VanDerWaalsContact CZ-O 3.27Å; F518-D528 WeakPolarHBondContact CZ-O 3.48Å; F518-Y529 HydrophobicContact CD1-CE1 4.5Å; F518-Y529 HydrophobicContact CE1-CD1 4.35Å; F518-Y529 AromaticContact CE1-CE1 3.83Å; F518-Y529 HydrophobicContact CE1-CE1 3.83Å; F518-Y529 HydrophobicContact CE1-CE2 4.12Å; F518-Y529 AromaticContact CE1-CZ 3.69Å
519T92.2Very high93.9Very high105 Ų10564.3 Ų64.364%0.64437%0.367SS*.EExtended strand (participates in β ladder)trans-104.1102.5172.6-59.40000108.2E525 Q526T519-E525 WeakPolarHBondContact O-CA 3.18Å; T519-Q526 PolarHBondContact N-O 3.28Å; T519-Q526 PolarHBondContact O-N 3.47Å
520S91.2Very high93.9Very high82 Ų8268.1 Ų68.157%0.57338%0.382SS*.EExtended strand (participates in β ladder)trans-101.8132.8-17960.60000112.3
521D91.4Very high93.9Very high81 Ų8169.7 Ų69.743%0.43339%0.388SS..  trans-105.2-166.4164.671.2-92.6000110.9N523 S524D521-N523 VanDerWaalsContact C-N 3.28Å; D521-N523 PolarHBondContact O-N 2.77Å; D521-N523 WeakPolarHBondContact OD2-CA 3.05Å; D521-N523 PolarHBondContact OD2-N 3.48Å; D521-S524 PolarHBondContact N-O 2.97Å; D521-S524 WeakPolarHBondContact OD1-CA 3.48Å; D521-S524 WeakPolarHBondContact OD1-CB 3.32Å; D521-S524 PolarHBondContact OD1-N 3.47Å; D521-S524 VanDerWaalsContact OD1-O 3.1Å; D521-S524 PolarHBondContact OD1-OG 3Å; D521-S524 PolarHBondContact OD2-N 3.19Å; D521-S524 PolarHBondContact OD2-OG 3.03Å
522N91.3Very high93.9Very high153 Ų15369.6 Ų69.682%0.81839%0.386SS*.SBendtrans-70.6-22-179.2-71.8-17.5000113.8
523N93.6Very high93.8Very high107 Ų10764.4 Ų64.457%0.57237%0.367SS*.SBendtrans-129.6-21.6-168.1-71.4104.2000113.6D521 L547 Y548D521-N523 VanDerWaalsContact C-N 3.28Å; D521-N523 PolarHBondContact O-N 2.77Å; D521-N523 WeakPolarHBondContact OD2-CA 3.05Å; D521-N523 PolarHBondContact OD2-N 3.48Å; N523-L547 HydrophobicContact CB-CD1 4.27Å; N523-L547 WeakPolarHBondContact O-CD1 3.5Å; N523-Y548 WeakPolarHBondContact O-CD2 3.34Å; N523-Y548 PolarHBondContact O-N 2.92Å
524S94.3Very high93.6Very high19 Ų1964.2 Ų64.213%0.13337%0.368CS..EExtended strand (participates in β ladder)trans-135.2170.4175.329.90000114.3D521 I546 Y548D521-S524 PolarHBondContact N-O 2.97Å; D521-S524 WeakPolarHBondContact OD1-CA 3.48Å; D521-S524 WeakPolarHBondContact OD1-CB 3.32Å; D521-S524 PolarHBondContact OD1-N 3.47Å; D521-S524 VanDerWaalsContact OD1-O 3.1Å; D521-S524 PolarHBondContact OD1-OG 3Å; D521-S524 PolarHBondContact OD2-N 3.19Å; D521-S524 PolarHBondContact OD2-OG 3.03Å; S524-I546 CarbonylContact C-O 3.3Å; S524-I546 WeakPolarHBondContact CA-O 3.43Å; S524-I546 WeakPolarHBondContact CB-O 3.32Å; S524-Y548 PolarHBondContact O-OH 3.17Å
525E94.6Very high93.5Very high13 Ų1361.3 Ų61.36%0.06135%0.35CS..EExtended strand (participates in β ladder)trans-138.9133166.550.4167.814200111.9R512 T519 Y529 T545 I546 Y548R512-E525 IonicContact CZ-OE1 2.69Å; R512-E525 IonicContact CZ-OE2 2.76Å; R512-E525 IonicContact NE-OE1 2.7Å; R512-E525 IonicContact NE-OE2 3.14Å; R512-E525 PolarHBondContact NE-OE2 2.86Å; R512-E525 IonicContact NH2-OE1 3.95Å; R512-E525 PolarHBondContact NH2-OE1 2.92Å; R512-E525 IonicContact NH2-OE2 2.73Å; R512-E525 PolarHBondContact NH2-OE2 3.29Å; T519-E525 WeakPolarHBondContact O-CA 3.18Å; E525-Y529 WeakPolarHBondContact CG-OH 3.47Å; E525-Y529 PolarHBondContact O-OH 3.23Å; E525-Y529 PolarHBondContact OE2-OH 3.18Å; E525-Y529 VanDerWaalsContact OE2-OH 3.14Å; E525-T545 CarbonylContact O-C 3.41Å; E525-T545 WeakPolarHBondContact O-CA 3.21Å; E525-I546 HydrophobicContact CG-CB 4.13Å; E525-I546 PolarHBondContact N-O 3.03Å; E525-I546 PolarHBondContact O-N 3.24Å; E525-Y548 HydrophobicContact CB-CE1 4.39Å; E525-Y548 HydrophobicContact CG-CE1 3.7Å; E525-Y548 WeakPolarHBondContact OE1-CE1 3.41Å
526Q95Very high93.6Very high92 Ų9264 Ų6443%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-107.7133.2174.7-175.1176.3-1.400110.7F518 T519 M544 T545F518-Q526 CarbonylContact C-O 3.55Å; F518-Q526 WeakPolarHBondContact CA-O 3.15Å; T519-Q526 PolarHBondContact N-O 3.28Å; T519-Q526 PolarHBondContact O-N 3.47Å; Q526-M544 WeakPolarHBondContact CA-O 3.41Å; Q526-T545 HydrophobicContact CB-CG2 4.31Å; Q526-T545 WeakPolarHBondContact CG-OG1 3.32Å
527G94.8Very high93.6Very high3 Ų365.1 Ų65.13%0.03135%0.35CS..EExtended strand (participates in β ladder)trans175.4-167.7176.900000112.2Y529 Q543 M544G527-Y529 VanDerWaalsContact O-CD2 3.27Å; G527-Y529 WeakPolarHBondContact O-CD2 3.48Å; G527-Y529 VanDerWaalsContact O-CE2 3.24Å; G527-Y529 WeakPolarHBondContact O-CE2 3.4Å; G527-Q543 WeakPolarHBondContact O-CA 3.47Å; G527-M544 PolarHBondContact N-O 2.99Å; G527-M544 VanDerWaalsContact N-O 3.16Å; G527-M544 PolarHBondContact O-N 2.87Å
528D96.2Very high93.8Very high49 Ų4962.5 Ų62.526%0.26233%0.333SS..EExtended strand (participates in β ladder)trans-99.3125.8-177.9-52.3-47.5000111I513 A516 F518 Q543I513-D528 WeakPolarHBondContact CB-O 3.4Å; I513-D528 HydrophobicContact CD1-CB 4.1Å; I513-D528 WeakPolarHBondContact CG1-O 3.41Å; I513-D528 PolarHBondContact N-O 2.95Å; I513-D528 VanDerWaalsContact N-O 3.11Å; A516-D528 HydrophobicContact CB-CB 4.06Å; F518-D528 VanDerWaalsContact CZ-O 3.27Å; F518-D528 WeakPolarHBondContact CZ-O 3.48Å; D528-Q543 VanDerWaalsContact OD1-CB 3.3Å; D528-Q543 WeakPolarHBondContact OD1-CB 3.48Å; D528-Q543 WeakPolarHBondContact OD1-CG 3.35Å; D528-Q543 PolarHBondContact OD1-NE2 2.83Å
529Y96.8Very high93.8Very high7 Ų764 Ų643%0.02734%0.339CS..EExtended strand (participates in β ladder)trans-119.5146.8-176.1-59.8-92.8000111L510 T511 R512 F518 E525 G527 T541 H542 M544 I546L510-Y529 HydrophobicContact CD1-CD1 3.82Å; L510-Y529 HydrophobicContact CD1-CE1 4.23Å; L510-Y529 HydrophobicContact CD1-CG 4.48Å; T511-Y529 CarbonylContact O-C 3.44Å; T511-Y529 WeakPolarHBondContact O-CA 3.4Å; T511-Y529 WeakPolarHBondContact O-CB 3.24Å; R512-Y529 HydrophobicContact CG-CD1 4.13Å; R512-Y529 HydrophobicContact CG-CE1 3.76Å; F518-Y529 HydrophobicContact CD1-CE1 4.5Å; F518-Y529 HydrophobicContact CE1-CD1 4.35Å; F518-Y529 AromaticContact CE1-CE1 3.83Å; F518-Y529 HydrophobicContact CE1-CE1 3.83Å; F518-Y529 HydrophobicContact CE1-CE2 4.12Å; F518-Y529 AromaticContact CE1-CZ 3.69Å; E525-Y529 WeakPolarHBondContact CG-OH 3.47Å; E525-Y529 PolarHBondContact O-OH 3.23Å; E525-Y529 PolarHBondContact OE2-OH 3.18Å; E525-Y529 VanDerWaalsContact OE2-OH 3.14Å; G527-Y529 VanDerWaalsContact O-CD2 3.27Å; G527-Y529 WeakPolarHBondContact O-CD2 3.48Å; G527-Y529 VanDerWaalsContact O-CE2 3.24Å; G527-Y529 WeakPolarHBondContact O-CE2 3.4Å; Y529-T541 WeakPolarHBondContact O-CA 3.41Å; Y529-H542 PolarHBondContact N-O 3.36Å; Y529-H542 PolarHBondContact O-N 3.2Å; Y529-M544 HydrophobicContact CD2-CB 4.03Å; Y529-M544 HydrophobicContact CE2-CB 4.28Å; Y529-M544 WeakPolarHBondContact CE2-O 3.39Å; Y529-I546 HydrophobicContact CD2-CG1 4.38Å; Y529-I546 HydrophobicContact CE1-CG1 3.97Å; Y529-I546 HydrophobicContact CE2-CD1 4.38Å; Y529-I546 HydrophobicContact CE2-CG1 3.7Å; Y529-I546 VanDerWaalsContact CZ-CG1 3.46Å
530Y96.8Very high94Very high86 Ų8660 Ų6034%0.33732%0.315SS..EExtended strand (participates in β ladder)trans-80.9133.9154.8-68.5-55000108.4L510 T511 I513 K539 S540 T541L510-Y530 CarbonylContact C-O 3.58Å; L510-Y530 WeakPolarHBondContact CA-O 3.38Å; T511-Y530 PolarHBondContact N-O 3.3Å; T511-Y530 PolarHBondContact O-N 3.07Å; I513-Y530 HydrophobicContact CB-CE2 4.31Å; I513-Y530 HydrophobicContact CD1-CD1 4.01Å; I513-Y530 HydrophobicContact CD1-CE1 3.87Å; I513-Y530 HydrophobicContact CD1-CE2 4.4Å; I513-Y530 HydrophobicContact CD1-CG 4.32Å; I513-Y530 HydrophobicContact CG1-CD1 4.08Å; I513-Y530 HydrophobicContact CG1-CD2 3.74Å; I513-Y530 HydrophobicContact CG1-CE1 4.11Å; I513-Y530 HydrophobicContact CG1-CE2 3.77Å; I513-Y530 HydrophobicContact CG1-CG 3.89Å; I513-Y530 HydrophobicContact CG2-CE2 4.22Å; Y530-K539 HydrophobicContact CD1-CG 4.23Å; Y530-K539 HydrophobicContact CG-CD 4.47Å; Y530-K539 HydrophobicContact CG-CG 4.27Å; Y530-S540 CarbonylContact C-O 3.47Å; Y530-S540 WeakPolarHBondContact CA-O 3.36Å; Y530-T541 WeakPolarHBondContact CE1-OG1 3.17Å
531F95.7Very high94.2Very high39 Ų3960.2 Ų60.217%0.17131%0.313CS..EExtended strand (participates in β ladder)trans-125.4155167.376.4-80.2000110.5I508 W509 L510 D533 S540 H542I508-F531 HydrophobicContact CD1-CB 4.02Å; I508-F531 HydrophobicContact CD1-CD2 3.96Å; I508-F531 HydrophobicContact CD1-CG 4.17Å; I508-F531 HydrophobicContact CG2-CD2 4.48Å; W509-F531 CarbonylContact O-C 3.44Å; W509-F531 VanDerWaalsContact O-CA 3.27Å; W509-F531 WeakPolarHBondContact O-CA 3.35Å; L510-F531 HydrophobicContact CB-CB 4.12Å; F531-D533 HydrophobicContact CE2-CB 4.02Å; F531-S540 VanDerWaalsContact CD1-O 3.25Å; F531-S540 WeakPolarHBondContact CD1-O 3.4Å; F531-S540 PolarHBondContact N-O 3.47Å; F531-S540 PolarHBondContact O-N 2.97Å; F531-H542 HydrophobicContact CD1-CB 3.88Å; F531-H542 HydrophobicContact CE1-CB 3.75Å
532W96.9Very high94.3Very high21 Ų2161.2 Ų61.28%0.0832%0.315CS..EExtended strand (participates in β ladder)trans-89.8121.9170.2-174.4-94.8000110.2E473 F476 Y480 W509 P534 A537 K539E473-W532 HydrophobicContact CB-CH2 3.97Å; E473-W532 HydrophobicContact CB-CZ3 4.46Å; E473-W532 HydrophobicContact CG-CH2 3.83Å; E473-W532 HydrophobicContact CG-CZ2 4.36Å; F476-W532 HydrophobicContact CB-CD2 3.97Å; F476-W532 HydrophobicContact CB-CG 4.02Å; F476-W532 HydrophobicContact CB-CZ2 4.22Å; F476-W532 HydrophobicContact CD1-CB 4.16Å; F476-W532 HydrophobicContact CD1-CG 4.05Å; F476-W532 HydrophobicContact CD2-CB 4.01Å; F476-W532 AromaticContact CD2-CD2 3.19Å; F476-W532 HydrophobicContact CD2-CD2 3.19Å; F476-W532 AromaticContact CD2-CE2 3.74Å; F476-W532 AromaticContact CD2-CE3 3.3Å; F476-W532 HydrophobicContact CD2-CE3 3.3Å; F476-W532 AromaticContact CD2-CG 3.52Å; F476-W532 HydrophobicContact CD2-CG 3.52Å; F476-W532 HydrophobicContact CD2-CH2 4.36Å; F476-W532 HydrophobicContact CD2-CZ2 4.28Å; F476-W532 AromaticContact CD2-CZ3 3.91Å; F476-W532 HydrophobicContact CD2-CZ3 3.91Å; F476-W532 HydrophobicContact CE1-CB 4.1Å; F476-W532 HydrophobicContact CE1-CG 4.44Å; F476-W532 HydrophobicContact CE2-CB 3.93Å; F476-W532 AromaticContact CE2-CD2 3.77Å; F476-W532 HydrophobicContact CE2-CD2 3.77Å; F476-W532 AromaticContact CE2-CE3 3.57Å; F476-W532 HydrophobicContact CE2-CE3 3.57Å; F476-W532 AromaticContact CE2-CG 3.95Å; F476-W532 HydrophobicContact CE2-CG 3.95Å; F476-W532 HydrophobicContact CE2-CZ3 4.34Å; F476-W532 HydrophobicContact CG-CB 4.13Å; F476-W532 AromaticContact CG-CD1 3.86Å; F476-W532 AromaticContact CG-CD2 3.67Å; F476-W532 HydrophobicContact CG-CD2 3.67Å; F476-W532 AromaticContact CG-CE2 3.94Å; F476-W532 HydrophobicContact CG-CE3 4.24Å; F476-W532 AromaticContact CG-CG 3.59Å; F476-W532 HydrophobicContact CG-CG 3.59Å; F476-W532 HydrophobicContact CZ-CB 3.98Å; F476-W532 HydrophobicContact CZ-CG 4.38Å; Y480-W532 AromaticContact CE2-CD1 3.69Å; W509-W532 PolarHBondContact O-N 3.43Å; W532-P534 VanDerWaalsContact O-CD 3.31Å; W532-P534 WeakPolarHBondContact O-CD 3.49Å; W532-A537 VanDerWaalsContact CH2-C 3.48Å; W532-A537 VanDerWaalsContact CH2-O 3.27Å; W532-A537 WeakPolarHBondContact CH2-O 3.45Å; W532-A537 HydrophobicContact CZ2-CB 4.11Å; W532-A537 WeakPolarHBondContact CZ2-O 3.42Å; W532-K539 HydrophobicContact CE3-CB 4.32Å; W532-K539 HydrophobicContact CZ3-CB 4.44Å
533D94.5Very high94.4Very high16 Ų1659.5 Ų59.59%0.08630%0.302CS..EExtended strand (participates in β ladder)trans-87.1108.1169.7-176-34.8000108.8F531 V535 K536 A537 Q538F531-D533 HydrophobicContact CE2-CB 4.02Å; D533-V535 VanDerWaalsContact C-N 3.28Å; D533-V535 PolarHBondContact O-N 2.94Å; D533-V535 PolarHBondContact OD1-N 2.88Å; D533-K536 HydrophobicContact CB-CB 4.25Å; D533-K536 PolarHBondContact OD1-N 3.3Å; D533-K536 WeakPolarHBondContact OD2-CD 3.12Å; D533-K536 WeakPolarHBondContact OD2-CG 3.45Å; D533-K536 IonicContact OD2-NZ 3.68Å; D533-K536 PolarHBondContact OD2-NZ 2.75Å; D533-A537 VanDerWaalsContact O-CA 3.3Å; D533-A537 WeakPolarHBondContact O-CA 3.24Å; D533-A537 PolarHBondContact O-N 3.06Å; D533-Q538 HydrophobicContact CB-CG 4.39Å; D533-Q538 PolarHBondContact N-O 3.23Å; D533-Q538 PolarHBondContact O-N 3.49Å
534P91.4Very high94.3Very high22 Ų2256.2 Ų56.214%0.14328%0.284CS..THydrogen-bonded Turntrans-71.3-21.2-177.529.2-34.6000113.5T170 M172 Y480 W532T170-P534 HydrophobicContact CG2-CG 4.46Å; M172-P534 VanDerWaalsContact CE-O 3.25Å; M172-P534 WeakPolarHBondContact CE-O 3.47Å; M172-P534 VanDerWaalsContact SD-O 3.37Å; Y480-P534 HydrophobicContact CD1-CB 4.16Å; Y480-P534 HydrophobicContact CD2-CB 3.87Å; Y480-P534 HydrophobicContact CE1-CB 4.05Å; Y480-P534 HydrophobicContact CE1-CG 4.25Å; Y480-P534 HydrophobicContact CE2-CB 3.79Å; Y480-P534 HydrophobicContact CG-CB 4.08Å; W532-P534 VanDerWaalsContact O-CD 3.31Å; W532-P534 WeakPolarHBondContact O-CD 3.49Å
535V90Very high94.4Very high88 Ų8859 Ų5953%0.53330%0.3SS..THydrogen-bonded Turntrans-85.1-37.3-177.4-178.20000111T170 D533T170-V535 HydrophobicContact CG2-CG2 4.45Å; D533-V535 VanDerWaalsContact C-N 3.28Å; D533-V535 PolarHBondContact O-N 2.94Å; D533-V535 PolarHBondContact OD1-N 2.88Å
536K92.5Very high94.3Very high132 Ų13258.4 Ų58.457%0.57430%0.298SS*.THydrogen-bonded Turntrans-87.5-10.1172.9-60.5-170.9-163.681.40113.6D533 Q538D533-K536 HydrophobicContact CB-CB 4.25Å; D533-K536 PolarHBondContact OD1-N 3.3Å; D533-K536 WeakPolarHBondContact OD2-CD 3.12Å; D533-K536 WeakPolarHBondContact OD2-CG 3.45Å; D533-K536 IonicContact OD2-NZ 3.68Å; D533-K536 PolarHBondContact OD2-NZ 2.75Å; K536-Q538 VanDerWaalsContact C-N 3.31Å; K536-Q538 HydrophobicContact CB-CG 3.84Å; K536-Q538 PolarHBondContact O-N 3.03Å
537A92.5Very high94.3Very high48 Ų4857 Ų5740%0.39729%0.293SS..THydrogen-bonded Turntrans50.347-171.800000112.9W532 D533W532-A537 VanDerWaalsContact CH2-C 3.48Å; W532-A537 VanDerWaalsContact CH2-O 3.27Å; W532-A537 WeakPolarHBondContact CH2-O 3.45Å; W532-A537 HydrophobicContact CZ2-CB 4.11Å; W532-A537 WeakPolarHBondContact CZ2-O 3.42Å; D533-A537 VanDerWaalsContact O-CA 3.3Å; D533-A537 WeakPolarHBondContact O-CA 3.24Å; D533-A537 PolarHBondContact O-N 3.06Å
538Q94.5Very high94.2Very high93 Ų9361.2 Ų61.244%0.43531%0.308SS..EExtended strand (participates in β ladder)trans-140.8150.5-176.379.9-178.428.600113.2D533 K536 S540D533-Q538 HydrophobicContact CB-CG 4.39Å; D533-Q538 PolarHBondContact N-O 3.23Å; D533-Q538 PolarHBondContact O-N 3.49Å; K536-Q538 VanDerWaalsContact C-N 3.31Å; K536-Q538 HydrophobicContact CB-CG 3.84Å; K536-Q538 PolarHBondContact O-N 3.03Å; Q538-S540 WeakPolarHBondContact CG-OG 3.21Å; Q538-S540 PolarHBondContact NE2-OG 2.93Å; Q538-S540 VanDerWaalsContact NE2-OG 3.08Å
539K94.7Very high94.1Very high89 Ų8962.4 Ų62.439%0.38732%0.321SS..EExtended strand (participates in β ladder)trans-77.1120.1168.6-163.7165.4-171.3166.30109.1E472 W500 Y530 W532E472-K539 IonicContact OE1-NZ 2.73Å; E472-K539 IonicContact OE2-NZ 3.46Å; E472-K539 PolarHBondContact OE2-NZ 2.87Å; W500-K539 HydrophobicContact CH2-CD 4.15Å; W500-K539 HydrophobicContact CH2-CG 4.22Å; W500-K539 HydrophobicContact CZ2-CD 4.25Å; Y530-K539 HydrophobicContact CD1-CG 4.23Å; Y530-K539 HydrophobicContact CG-CD 4.47Å; Y530-K539 HydrophobicContact CG-CG 4.27Å; W532-K539 HydrophobicContact CE3-CB 4.32Å; W532-K539 HydrophobicContact CZ3-CB 4.44Å
540S94.7Very high94Very high19 Ų1963.2 Ų63.213%0.13333%0.325CS..EExtended strand (participates in β ladder)trans-122.1152-176.8-62.10000110.8Y530 F531 Q538Y530-S540 CarbonylContact C-O 3.47Å; Y530-S540 WeakPolarHBondContact CA-O 3.36Å; F531-S540 VanDerWaalsContact CD1-O 3.25Å; F531-S540 WeakPolarHBondContact CD1-O 3.4Å; F531-S540 PolarHBondContact N-O 3.47Å; F531-S540 PolarHBondContact O-N 2.97Å; Q538-S540 WeakPolarHBondContact CG-OG 3.21Å; Q538-S540 PolarHBondContact NE2-OG 2.93Å; Q538-S540 VanDerWaalsContact NE2-OG 3.08Å
541T95.5Very high93.9Very high88 Ų8860.1 Ų60.154%0.5432%0.315SS..EExtended strand (participates in β ladder)trans-96.5135.8176.2-65.80000110.7I513 Y529 Y530I513-T541 HydrophobicContact CD1-CG2 3.55Å; Y529-T541 WeakPolarHBondContact O-CA 3.41Å; Y530-T541 WeakPolarHBondContact CE1-OG1 3.17Å
542H93.3Very high93.7Very high101 Ų10162 Ų6247%0.46833%0.326SS..EExtended strand (participates in β ladder)trans-145.8141.5169.5-162.537.4000112Y529 F531Y529-H542 PolarHBondContact N-O 3.36Å; Y529-H542 PolarHBondContact O-N 3.2Å; F531-H542 HydrophobicContact CD1-CB 3.88Å; F531-H542 HydrophobicContact CE1-CB 3.75Å
543Q94.7Very high93.1Very high118 Ų11866.9 Ų66.955%0.55135%0.354SS*.EExtended strand (participates in β ladder)trans-83.4123.8169.3-173.9165.5101.400108.7G527 D528G527-Q543 WeakPolarHBondContact O-CA 3.47Å; D528-Q543 VanDerWaalsContact OD1-CB 3.3Å; D528-Q543 WeakPolarHBondContact OD1-CB 3.48Å; D528-Q543 WeakPolarHBondContact OD1-CG 3.35Å; D528-Q543 PolarHBondContact OD1-NE2 2.83Å
544M92Very high92.4Very high38 Ų3868.8 Ų68.819%0.18737%0.372CS..EExtended strand (participates in β ladder)trans-140.8152.4-174.1-161.9176.2-7000110.9I508 Q526 G527 Y529 I546I508-M544 HydrophobicContact CD1-CE 4.33Å; Q526-M544 WeakPolarHBondContact CA-O 3.41Å; G527-M544 PolarHBondContact N-O 2.99Å; G527-M544 VanDerWaalsContact N-O 3.16Å; G527-M544 PolarHBondContact O-N 2.87Å; Y529-M544 HydrophobicContact CD2-CB 4.03Å; Y529-M544 HydrophobicContact CE2-CB 4.28Å; Y529-M544 WeakPolarHBondContact CE2-O 3.39Å; M544-I546 HydrophobicContact CB-CD1 4.04Å; M544-I546 HydrophobicContact CG-CD1 3.72Å; M544-I546 HydrophobicContact SD-CD1 3.35Å; M544-I546 WeakPolarHBondContact SD-CD1 3.43Å
545T94.5Very high91.4Very high78 Ų7869.3 Ų69.348%0.47938%0.375SS..EExtended strand (participates in β ladder)trans-103.1105.1165.2-56.60000108.2E525 Q526E525-T545 CarbonylContact O-C 3.41Å; E525-T545 WeakPolarHBondContact O-CA 3.21Å; Q526-T545 HydrophobicContact CB-CG2 4.31Å; Q526-T545 WeakPolarHBondContact CG-OG1 3.32Å
546I94Very high90.4Very high0 Ų068.1 Ų68.10%037%0.374CS..EExtended strand (participates in β ladder)trans-87.3124.2-178.8-53.8-60.5000109L510 S524 E525 Y529 M544 L551L510-I546 HydrophobicContact CD1-CD1 4.37Å; L510-I546 HydrophobicContact CD2-CD1 3.6Å; S524-I546 CarbonylContact C-O 3.3Å; S524-I546 WeakPolarHBondContact CA-O 3.43Å; S524-I546 WeakPolarHBondContact CB-O 3.32Å; E525-I546 HydrophobicContact CG-CB 4.13Å; E525-I546 PolarHBondContact N-O 3.03Å; E525-I546 PolarHBondContact O-N 3.24Å; Y529-I546 HydrophobicContact CD2-CG1 4.38Å; Y529-I546 HydrophobicContact CE1-CG1 3.97Å; Y529-I546 HydrophobicContact CE2-CD1 4.38Å; Y529-I546 HydrophobicContact CE2-CG1 3.7Å; Y529-I546 VanDerWaalsContact CZ-CG1 3.46Å; M544-I546 HydrophobicContact CB-CD1 4.04Å; M544-I546 HydrophobicContact CG-CD1 3.72Å; M544-I546 HydrophobicContact SD-CD1 3.35Å; M544-I546 WeakPolarHBondContact SD-CD1 3.43Å; I546-L551 HydrophobicContact CG2-CD1 3.79Å; I546-L551 HydrophobicContact CG2-CD2 3.71Å; I546-L551 HydrophobicContact CG2-CG 3.58Å
547L94.4Very high88.9Confident62 Ų6264.9 Ų64.933%0.32537%0.372SS..EExtended strand (participates in β ladder)trans-89.4126.6168.7-168.672.4000108.6N523 S549 D550N523-L547 HydrophobicContact CB-CD1 4.27Å; N523-L547 WeakPolarHBondContact O-CD1 3.5Å; L547-S549 WeakPolarHBondContact CD2-OG 3.37Å; L547-S549 WeakPolarHBondContact CG-OG 3.23Å; L547-S549 PolarHBondContact O-N 2.93Å; L547-D550 HydrophobicContact CB-CB 4.42Å; L547-D550 WeakPolarHBondContact O-CB 3.28Å; L547-D550 PolarHBondContact O-N 3.06Å
548Y93.7Very high87.5Confident91 Ų9166.3 Ų66.336%0.35737%0.37SS..THydrogen-bonded Turntrans-61.7-23.2-174.1-59.5-57000113.3N523 S524 E525 D550N523-Y548 WeakPolarHBondContact O-CD2 3.34Å; N523-Y548 PolarHBondContact O-N 2.92Å; S524-Y548 PolarHBondContact O-OH 3.17Å; E525-Y548 HydrophobicContact CB-CE1 4.39Å; E525-Y548 HydrophobicContact CG-CE1 3.7Å; E525-Y548 WeakPolarHBondContact OE1-CE1 3.41Å; Y548-D550 VanDerWaalsContact C-N 3.26Å; Y548-D550 PolarHBondContact O-N 3.11Å
549S93.8Very high86Confident75 Ų7568.6 Ų68.652%0.52437%0.374SS..THydrogen-bonded Turntrans-70.5-20.6173.260.50000114K504 L547K504-S549 WeakPolarHBondContact CE-O 3.48Å; K504-S549 PolarHBondContact NZ-O 3.01Å; L547-S549 WeakPolarHBondContact CD2-OG 3.37Å; L547-S549 WeakPolarHBondContact CG-OG 3.23Å; L547-S549 PolarHBondContact O-N 2.93Å
550D94.1Very high84.4Confident23 Ų2365.8 Ų65.812%0.12336%0.364CS..THydrogen-bonded Turntrans-92.2-17.7-176.5-61.5-14.3000112.1K504 K505 L547 Y548K504-D550 WeakPolarHBondContact CB-O 3.48Å; K504-D550 VanDerWaalsContact CE-O 3.29Å; K504-D550 WeakPolarHBondContact CE-O 3.41Å; K504-D550 WeakPolarHBondContact CG-O 3.45Å; K504-D550 PolarHBondContact N-O 3.4Å; K505-D550 HydrophobicContact CD-CB 4.38Å; K505-D550 WeakPolarHBondContact CE-OD1 3.47Å; K505-D550 VanDerWaalsContact CE-OD2 3.3Å; K505-D550 WeakPolarHBondContact CE-OD2 3.3Å; K505-D550 IonicContact NZ-OD1 2.94Å; K505-D550 PolarHBondContact NZ-OD1 2.84Å; K505-D550 IonicContact NZ-OD2 2.66Å; K505-D550 PolarHBondContact NZ-OD2 3.5Å; L547-D550 HydrophobicContact CB-CB 4.42Å; L547-D550 WeakPolarHBondContact O-CB 3.28Å; L547-D550 PolarHBondContact O-N 3.06Å; Y548-D550 VanDerWaalsContact C-N 3.26Å; Y548-D550 PolarHBondContact O-N 3.11Å
551L93.8Very high82.8Confident22 Ų2270.1 Ų70.112%0.11539%0.394CS..BIsolated β-bridgetrans-72.7148.5165.1-64.1-176.8000111.4R501 F502 H503 K504 L510 I546R501-L551 HydrophobicContact CB-CD1 4.18Å; R501-L551 HydrophobicContact CB-CD2 3.96Å; R501-L551 HydrophobicContact CG-CD1 4.35Å; F502-L551 CarbonylContact O-C 3.58Å; F502-L551 WeakPolarHBondContact O-CA 3.48Å; H503-L551 HydrophobicContact CB-CD2 4.22Å; K504-L551 VanDerWaalsContact CE-O 3.32Å; K504-L551 WeakPolarHBondContact CE-O 3.46Å; K504-L551 PolarHBondContact NZ-O 3.16Å; L510-L551 HydrophobicContact CD1-CD2 4.39Å; I546-L551 HydrophobicContact CG2-CD1 3.79Å; I546-L551 HydrophobicContact CG2-CD2 3.71Å; I546-L551 HydrophobicContact CG2-CG 3.58Å
552D91.7Very high80.9Confident78 Ų7868.7 Ų68.742%0.41739%0.387SS..PPolyproline II helixtrans-85.9157.5167.6-147.1-9000112.5F502 K504F502-D552 HydrophobicContact CB-CB 4.36Å; F502-D552 PolarHBondContact O-N 2.64Å; K504-D552 HydrophobicContact CD-CB 3.92Å; K504-D552 HydrophobicContact CG-CB 3.88Å
553N85.1Confident79.1Confident124 Ų12467.4 Ų67.466%0.66340%0.402SS*.PPolyproline II helixtrans-79.6172.4176.3-66.3-83.8000110.9P555N553-P555 WeakPolarHBondContact O-CD 3.17Å
554A79Confident77.2Confident55 Ų5563.2 Ų63.246%0.45538%0.384SS..PPolyproline II helixtrans-54.7127.8167.300000109.9Y496Y496-A554 HydrophobicContact CD1-CB 3.85Å; Y496-A554 HydrophobicContact CD2-CB 4.3Å; Y496-A554 HydrophobicContact CE1-CB 3.61Å; Y496-A554 HydrophobicContact CE2-CB 4.07Å; Y496-A554 HydrophobicContact CG-CB 4.2Å
555P71.7Confident75.3Confident33 Ų3363.5 Ų63.521%0.21439%0.386CS..PPolyproline II helixtrans-53.6144.5174-28.236.1000111.4A492 K493 N553A492-P555 HydrophobicContact CB-CG 3.79Å; K493-P555 HydrophobicContact CB-CB 4.42Å; N553-P555 WeakPolarHBondContact O-CD 3.17Å
556A67.9Low72.8Confident63 Ų6362.3 Ų62.352%0.52138%0.381SS..PPolyproline II helixtrans-58170.3177.500000111.6F558A556-F558 HydrophobicContact CB-CD2 4.34Å; A556-F558 HydrophobicContact CB-CE2 3.76Å; A556-F558 HydrophobicContact CB-CZ 4.24Å; A556-F558 WeakPolarHBondContact O-CD2 3.31Å; A556-F558 PolarHBondContact O-N 3.18Å
557A61.3Low70.3Confident64 Ų6462.8 Ų62.853%0.52939%0.385SS..SBendtrans-74.465.2-170.400000114.3I571A557-I571 HydrophobicContact CB-CD1 3.64Å; A557-I571 HydrophobicContact CB-CG1 3.9Å
558F64.1Low67.7Low78 Ų7866.1 Ų66.134%0.34240%0.397SS..  trans-75152.7169.1-58.1-73.7000111.4L489 V490 K493 A556L489-F558 HydrophobicContact CB-CB 4.27Å; L489-F558 HydrophobicContact CB-CD2 3.78Å; L489-F558 HydrophobicContact CB-CE2 4.34Å; L489-F558 HydrophobicContact CB-CG 4.01Å; L489-F558 HydrophobicContact CD1-CD1 3.95Å; L489-F558 HydrophobicContact CD1-CD2 3.97Å; L489-F558 HydrophobicContact CD1-CE1 3.89Å; L489-F558 HydrophobicContact CD1-CE2 3.9Å; L489-F558 HydrophobicContact CD1-CG 4.01Å; L489-F558 HydrophobicContact CD1-CZ 3.87Å; L489-F558 HydrophobicContact CD2-CD2 4.34Å; L489-F558 HydrophobicContact CD2-CE2 4.08Å; L489-F558 HydrophobicContact CG-CD2 4.26Å; L489-F558 HydrophobicContact CG-CE2 4.34Å; V490-F558 HydrophobicContact CG2-CB 4.26Å; K493-F558 PolarHBondContact NZ-O 3.21Å; A556-F558 HydrophobicContact CB-CD2 4.34Å; A556-F558 HydrophobicContact CB-CE2 3.76Å; A556-F558 HydrophobicContact CB-CZ 4.24Å; A556-F558 WeakPolarHBondContact O-CD2 3.31Å; A556-F558 PolarHBondContact O-N 3.18Å
559R61.1Low65.2Low141 Ų14162.4 Ų62.453%0.53238%0.384SS..  trans-132.4171.6163.5-75.8-172.2173.2-135.7-0.3106.4E486E486-R559 VanDerWaalsContact CD-O 3.27Å; E486-R559 WeakPolarHBondContact CG-O 3.27Å
560L62.5Low62.5Low31 Ų3162.6 Ų62.616%0.16239%0.385CS..  trans-82.8134.6165.8-59.9175.4000110.3E486 V490 S562 L565 A567E486-L560 HydrophobicContact CB-CD2 4.07Å; E486-L560 HydrophobicContact CG-CD2 3.97Å; E486-L560 VanDerWaalsContact OE2-CA 3.29Å; E486-L560 WeakPolarHBondContact OE2-CA 3.45Å; V490-L560 HydrophobicContact CB-CD2 4.11Å; V490-L560 HydrophobicContact CB-CG 4.38Å; V490-L560 HydrophobicContact CG1-CD2 4.5Å; V490-L560 HydrophobicContact CG1-CG 4.27Å; V490-L560 HydrophobicContact CG2-CD2 3.75Å; V490-L560 HydrophobicContact CG2-CG 3.99Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 WeakPolarHBondContact CB-O 3.43Å; L560-L565 HydrophobicContact CD1-CB 3.28Å; L560-L565 HydrophobicContact CD1-CD1 3.72Å; L560-L565 HydrophobicContact CD1-CG 4.15Å; L560-A567 HydrophobicContact CD1-CB 3.91Å; L560-A567 HydrophobicContact CG-CB 4.23Å
561S59.8Low59.7Low110 Ų11066.5 Ų66.577%0.76941%0.405SS*.SBendtrans-71.8-26.1172.8-68.10000111.4E486E486-S561 WeakPolarHBondContact OE1-CB 3.5Å; E486-S561 PolarHBondContact OE1-N 3.21Å; E486-S561 VanDerWaalsContact OE1-N 3.12Å; E486-S561 PolarHBondContact OE1-OG 3.49Å; E486-S561 PolarHBondContact OE2-N 3.43Å
562S56.3Low56.8Low57 Ų5769.2 Ų69.240%0.39944%0.438SS..SBendtrans-92.5136.2167.7-176.30000111.5L560 T564L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 WeakPolarHBondContact CB-O 3.43Å; S562-T564 PolarHBondContact O-N 3.03Å; S562-T564 WeakPolarHBondContact OG-CB 3.32Å; S562-T564 WeakPolarHBondContact OG-CG2 3.14Å; S562-T564 PolarHBondContact OG-N 3.38Å; S562-T564 PolarHBondContact OG-OG1 3.19Å
563G54.8Low54Low75 Ų7571.7 Ų71.777%0.77345%0.451SS*.SBendtrans-73.9-3.6170.900000114.9L565G563-L565 PolarHBondContact O-N 2.83Å
564T55.3Low51.5Low29 Ų2971.4 Ų71.418%0.17846%0.455CS..SBendtrans-74.520.5-179.4610000114.5D464 S562D464-T564 WeakPolarHBondContact CB-O 3.31Å; D464-T564 WeakPolarHBondContact OD2-CA 3.25Å; D464-T564 WeakPolarHBondContact OD2-CB 3.48Å; S562-T564 PolarHBondContact O-N 3.03Å; S562-T564 WeakPolarHBondContact OG-CB 3.32Å; S562-T564 WeakPolarHBondContact OG-CG2 3.14Å; S562-T564 PolarHBondContact OG-N 3.38Å; S562-T564 PolarHBondContact OG-OG1 3.19Å
565L51.6Low49.3Very low44 Ų4472.2 Ų72.223%0.2347%0.469CS..SBendtrans-161.5115.8167-91.4177.7000103.2D464 P465 M467 L560 G563 A567D464-L565 HydrophobicContact CB-CD2 4.47Å; P465-L565 WeakPolarHBondContact O-CD2 3.27Å; M467-L565 HydrophobicContact CE-CD1 3.93Å; L560-L565 HydrophobicContact CD1-CB 3.28Å; L560-L565 HydrophobicContact CD1-CD1 3.72Å; L560-L565 HydrophobicContact CD1-CG 4.15Å; G563-L565 PolarHBondContact O-N 2.83Å; L565-A567 PolarHBondContact O-N 3.43Å
566S43.4Very low47.3Very low53 Ų5374.1 Ų74.137%0.37150%0.495SS..  trans-7946.8-168.246.10000113.5P466 F568P466-S566 WeakPolarHBondContact CA-OG 3.44Å; P466-S566 WeakPolarHBondContact CB-OG 3.4Å; S566-F568 VanDerWaalsContact O-CD1 3.3Å; S566-F568 WeakPolarHBondContact O-CD1 3.43Å; S566-F568 PolarHBondContact O-N 3.44Å; S566-F568 VanDerWaalsContact O-N 3.08Å
567A41.9Very low45.8Very low10 Ų1076.8 Ų76.88%0.08351%0.51CS..  trans-85.272.9-173.700000113.1M467 V490 L560 L565M467-A567 HydrophobicContact CB-CB 4.01Å; V490-A567 HydrophobicContact CG1-CB 3.46Å; V490-A567 VanDerWaalsContact CG1-CB 3.46Å; L560-A567 HydrophobicContact CD1-CB 3.91Å; L560-A567 HydrophobicContact CG-CB 4.23Å; L565-A567 PolarHBondContact O-N 3.43Å
568F39.7Very low44.8Very low132 Ų13282.4 Ų82.458%0.57952%0.524SS*.  trans-88.897.3165.263.2-82.5000110.4S566 S570S566-F568 VanDerWaalsContact O-CD1 3.3Å; S566-F568 WeakPolarHBondContact O-CD1 3.43Å; S566-F568 PolarHBondContact O-N 3.44Å; S566-F568 VanDerWaalsContact O-N 3.08Å; F568-S570 PolarHBondContact O-N 3.06Å
569V40.9Very low43.8Very low13 Ų1383.9 Ų83.98%0.07955%0.545CS..  trans-94.391.7171.5-174.10000109.2K493K493-V569 HydrophobicContact CD-CB 3.8Å; K493-V569 HydrophobicContact CD-CG1 3.7Å; K493-V569 HydrophobicContact CD-CG2 4.25Å; K493-V569 VanDerWaalsContact CE-CG1 3.46Å; K493-V569 HydrophobicContact CG-CG1 4.09Å; K493-V569 PolarHBondContact NZ-O 3.41Å
570S36Very low42.4Very low80 Ų8083 Ų8356%0.55956%0.56SS**  trans-54138.2-177.9-67.70000113F568F568-S570 PolarHBondContact O-N 3.06Å
571I35.7Very low41.6Very low105 Ų10587.7 Ų87.754%0.53859%0.59SS.*  trans-80.1127.5171.2-56.1170.6000107.5A557 L573A557-I571 HydrophobicContact CB-CD1 3.64Å; A557-I571 HydrophobicContact CB-CG1 3.9Å; I571-L573 HydrophobicContact CB-CD1 3.79Å; I571-L573 HydrophobicContact CG2-CD1 3.76Å; I571-L573 HydrophobicContact CG2-CG 4.34Å; I571-L573 PolarHBondContact O-N 2.9Å
572G32.7Very low41Very low78 Ų7887.9 Ų87.980%0.80459%0.588SS**  trans-71.383161.700000109.4
573L33.3Very low40.8Very low131 Ų13190.6 Ų90.669%0.68660%0.604SS**PPolyproline II helixtrans-64.4137.3174.7-91.687.7000109.6I571 G575I571-L573 HydrophobicContact CB-CD1 3.79Å; I571-L573 HydrophobicContact CG2-CD1 3.76Å; I571-L573 HydrophobicContact CG2-CG 4.34Å; I571-L573 PolarHBondContact O-N 2.9Å; L573-G575 PolarHBondContact O-N 3.22Å
574P32.7Very low40.6Very low117 Ų11792.5 Ų92.576%0.7660%0.603SS**PPolyproline II helixtrans-61.2125.6155.428.2-31.7000108.1G576P574-G576 PolarHBondContact O-N 3.46Å
575G31.5Very low40.5Very low72 Ų7296.7 Ų96.774%0.74263%0.631SS**PPolyproline II helixtrans-60.3128.8-172.400000112.8L573L573-G575 PolarHBondContact O-N 3.22Å
576G31.5Very low41.1Very low73 Ų73100.1 Ų100.175%0.75366%0.656SS**  trans-138.324.6-164.100000116.7P574P574-G576 PolarHBondContact O-N 3.46Å
577S35.3Very low41.7Very low119 Ų119103.1 Ų103.183%0.83267%0.674SS**  trans-165.661.5172.739.70000113.2S579S577-S579 PolarHBondContact O-N 2.97Å
578H41.3Very low42.5Very low182 Ų182108 Ų10884%0.84371%0.705SS**  trans-74.6119.8171.8-87.3-85.6000111.9
579S41.5Very low43.5Very low110 Ų110106.9 Ų106.977%0.76971%0.711SS**  trans-60.2146.2154-55.20000109.8S577 V581S577-S579 PolarHBondContact O-N 2.97Å; S579-V581 PolarHBondContact O-N 3.35Å; S579-V581 VanDerWaalsContact O-N 3.17Å
580S32.3Very low44Very low122 Ų122112.4 Ų112.485%0.85375%0.747SS**SBendtrans-67.7109.9-163.754.50000114.5
581V46.1Very low44.7Very low129 Ų129115.6 Ų115.678%0.78276%0.757SS**  trans-130.7127.5158.1-178.10000107S579S579-V581 PolarHBondContact O-N 3.35Å; S579-V581 VanDerWaalsContact O-N 3.17Å
582P46.4Very low45.2Very low114 Ų114115.9 Ų115.974%0.7477%0.766SS**PPolyproline II helixtrans-72.8141.2-175.629.1-34.5000111.8
583P53.6Low45.6Very low114 Ų114121 Ų12174%0.7477%0.769SS**PPolyproline II helixtrans-73.9152.6176.931.2-35.1000112
584P50Low46.2Very low115 Ų115122.3 Ų122.375%0.74778%0.777SS**PPolyproline II helixtrans-67.2156.1172.529.8-35.3000111.8
585P53.8Low46.9Very low117 Ų117123.8 Ų123.876%0.7677%0.773SS**PPolyproline II helixtrans-68151.6-178.928.9-35.6000112.5
586P62.5Low47.5Very low116 Ų116127.8 Ų127.875%0.75377%0.773SS**PPolyproline II helixtrans-69.6151.3179.129.9-35.6000112.2
587P56.1Low48.4Very low117 Ų117132.6 Ų132.676%0.7678%0.776SS**PPolyproline II helixtrans-67.7150.2176.729.1-35.2000112
588P59.3Low49.1Very low112 Ų112133.6 Ų133.673%0.72777%0.767SS**PPolyproline II helixtrans-69155.2178.429.6-35.5000112.4
589P61.2Low49.4Very low109 Ų109130.9 Ų130.971%0.70876%0.758SS**PPolyproline II helixtrans-66.7153.4177.429.2-35.6000112.1L591P589-L591 PolarHBondContact O-N 3.09Å
590P52Low50Low129 Ų129129.9 Ų129.984%0.83875%0.747SS**PPolyproline II helixtrans-66.3131.6-176.826.8-34.6000112.2
591L50.1Low50.8Low147 Ų147127.1 Ų127.177%0.7773%0.728SS**PPolyproline II helixtrans-72.2158.6173-76.195.9000111.8P589P589-L591 PolarHBondContact O-N 3.09Å
592P45.1Very low51.2Low111 Ų111129 Ų12972%0.72172%0.722SS**PPolyproline II helixtrans-60.3141.6-178.3-23.934.8000113.8N594P592-N594 PolarHBondContact O-N 3.3Å
593Q41.7Very low51.6Low184 Ų184130.5 Ų130.586%0.8672%0.719SS**THydrogen-bonded Turntrans-63.86.9-171.2-72.4178.6-40.200116.9
594N45Very low51.8Low160 Ų160131.9 Ų131.986%0.85672%0.716SS**THydrogen-bonded Turntrans-91.23.2-170.3-104-66.4000116.1P592P592-N594 PolarHBondContact O-N 3.3Å
595Q47.4Very low52.1Low147 Ų147133.1 Ų133.169%0.68771%0.711SS**SBendtrans-112.5-12.5-178.9-157.8163.178.100114.2
596Q45.5Very low52.1Low156 Ų156131 Ų13173%0.72970%0.699SS**THydrogen-bonded Turntrans-86.2-14.2-170.1-149.4157.71800114.5
597Q49.8Very low51.7Low175 Ų175135 Ų13582%0.81870%0.699SS**Hα-helixtrans-81-13.5172.4-69.6-177.7-7.100113.6S601Q597-S601 PolarHBondContact O-OG 2.98Å; Q597-S601 VanDerWaalsContact O-OG 3.09Å
598Q51Low51.6Low139 Ų139137.3 Ų137.365%0.6570%0.7SS**Hα-helixtrans-91.4-14.1-177.6-142.1170.326.200113.7S601 Y602Q598-S601 PolarHBondContact O-OG 2.99Å; Q598-Y602 WeakPolarHBondContact O-CD2 3.48Å
599L47.8Very low51.2Low126 Ų126136 Ų13666%0.6670%0.699SS**Hα-helixtrans-89.7-36.5175.9-90.7153.7000113S601 Y602 Q603L599-S601 VanDerWaalsContact C-N 3.31Å; L599-S601 PolarHBondContact O-N 3.39Å; L599-Y602 PolarHBondContact O-N 3.1Å; L599-Q603 PolarHBondContact O-N 2.92Å
600V53.3Low50.7Low88 Ų88139.3 Ų139.353%0.53371%0.705SS.*Hα-helixtrans-66.6-34.2179.3-1780000111.6Q603 H604V600-Q603 PolarHBondContact O-N 3.35Å; V600-H604 PolarHBondContact O-N 2.87Å
601S49.6Very low50.4Low65 Ų65141.8 Ų141.846%0.45571%0.705SS.*Hα-helixtrans-66.6-43.4176.636.60000112.7Q597 Q598 L599 Q603 H604 Q605Q597-S601 PolarHBondContact O-OG 2.98Å; Q597-S601 VanDerWaalsContact O-OG 3.09Å; Q598-S601 PolarHBondContact O-OG 2.99Å; L599-S601 VanDerWaalsContact C-N 3.31Å; L599-S601 PolarHBondContact O-N 3.39Å; S601-Q603 VanDerWaalsContact C-N 3.34Å; S601-Q603 PolarHBondContact O-N 2.87Å; S601-H604 PolarHBondContact O-N 2.89Å; S601-Q605 PolarHBondContact O-N 3.3Å
602Y54.1Low49.8Very low168 Ų168138 Ų13866%0.65970%0.701SS**Hα-helixtrans-62.7-37.9174.5-96.4-91.9000112.9Q598 L599 Q605 S606Q598-Y602 WeakPolarHBondContact O-CD2 3.48Å; L599-Y602 PolarHBondContact O-N 3.1Å; Y602-Q605 PolarHBondContact O-N 2.79Å; Y602-S606 PolarHBondContact O-N 2.89Å; Y602-S606 PolarHBondContact O-OG 3.4Å
603Q55Low49.6Very low145 Ų145141.3 Ų141.368%0.67871%0.708SS**Hα-helixtrans-71.1-33.3-178.7-150.9175.225.900112.7L599 V600 S601 S606L599-Q603 PolarHBondContact O-N 2.92Å; V600-Q603 PolarHBondContact O-N 3.35Å; S601-Q603 VanDerWaalsContact C-N 3.34Å; S601-Q603 PolarHBondContact O-N 2.87Å; Q603-S606 PolarHBondContact O-OG 2.77Å
604H58.3Low49.4Very low143 Ų143141.1 Ų141.166%0.66271%0.706SS**Hα-helixtrans-68.6-39.9172.5-100.5-83.1000113V600 S601 S606 R607V600-H604 PolarHBondContact O-N 2.87Å; S601-H604 PolarHBondContact O-N 2.89Å; H604-S606 VanDerWaalsContact C-N 3.3Å; H604-S606 PolarHBondContact O-N 3.41Å; H604-R607 PolarHBondContact O-N 3.28Å
605Q55.8Low48.7Very low141 Ų141139.2 Ų139.266%0.65970%0.701SS**Hα-helixtrans-66.2-31.9-179.3-162.5166.616.900112.4S601 Y602 R607S601-Q605 PolarHBondContact O-N 3.3Å; Y602-Q605 PolarHBondContact O-N 2.79Å; Q605-R607 PolarHBondContact O-N 3.47Å
606S52.7Low48.2Very low72 Ų72142 Ų14250%0.50371%0.711SS.*Hα-helixtrans-71.6-22.3177.653.80000115.6Y602 Q603 H604Y602-S606 PolarHBondContact O-N 2.89Å; Y602-S606 PolarHBondContact O-OG 3.4Å; Q603-S606 PolarHBondContact O-OG 2.77Å; H604-S606 VanDerWaalsContact C-N 3.3Å; H604-S606 PolarHBondContact O-N 3.41Å
607R55.3Low47.9Very low200 Ų200140.3 Ų140.376%0.75572%0.716SS**Hα-helixtrans-83.1-19.2178.6-78-157.271.6-157.80.7114.8H604 Q605H604-R607 PolarHBondContact O-N 3.28Å; Q605-R607 PolarHBondContact O-N 3.47Å
608Q54.1Low47.4Very low166 Ų166140.4 Ų140.478%0.77672%0.716SS**G310 helixtrans-83.1-12.2179-72.3-176.5-24.600113.5Q610Q608-Q610 PolarHBondContact O-N 3.21Å
609A50.9Low46.8Very low85 Ų85138.3 Ų138.370%0.70271%0.714SS**G310 helixtrans-83.72.3-176.500000115.5
610Q50.5Low46.4Very low178 Ų178140 Ų14083%0.83272%0.717SS**G310 helixtrans-124.317.7-173.4-68.7-170.4-7.900115.2Q608Q608-Q610 PolarHBondContact O-N 3.21Å
611Q45.2Very low45.8Very low181 Ų181142.1 Ų142.185%0.84672%0.722SS**SBendtrans-119.427.1177.1-67.7-168.7-31.100113.5
612G38.6Very low45.2Very low67 Ų67146.6 Ų146.669%0.69174%0.735SS**  trans-134.547.6-16900000115.7
613Q39.1Very low44.4Very low182 Ų182144.1 Ų144.185%0.8574%0.737SS**  trans-159.7152.3167-124.6164.485.600114.1
614Q38.4Very low43.6Very low179 Ų179144.3 Ų144.384%0.83674%0.743SS**  trans70.571.9170.3-55.7-173.929.200117.3
615T31.4Very low42.6Very low120 Ų120145.2 Ų145.274%0.73675%0.749SS**  trans-89.2172.3146.146.80000110.7
616F35.6Very low41.7Very low206 Ų206144.6 Ų144.690%0.90475%0.75SS**  trans70.8140.7-171.6-55.1-91.3000113.8
617S39.8Very low41Very low120 Ų120147 Ų14784%0.83976%0.757SS**  cis-132.9-154.214.6580000113.6
618H38.7Very low40.4Very low177 Ų177145.5 Ų145.582%0.81976%0.759SS**  trans-144.6136.5-141.3-133.634.6000117.7
619T37.9Very low39.8Very low96 Ų96144.5 Ų144.559%0.58976%0.759SS**  trans76.7148.5143.4-20.40000124
620H41.1Very low39.8Very low160 Ų160145.1 Ų145.174%0.74176%0.756SS**  trans72.9151.3163.8-69.4-72.9000119
621H39.6Very low39.3Very low134 Ų134144.1 Ų144.162%0.6276%0.756SS**  cis-145.7136.1-4.6-123.5-89.4000106
622Q37.3Very low39.2Very low159 Ų159141.2 Ų141.274%0.74375%0.751SS**  55.3135.684.9-142.5-176.465.700115.3
623T36.8Very low39.4Very low115 Ų115143.4 Ų143.471%0.70676%0.755SS**  cis-171.2-172.7-14.3-81.70000108.1
624L38.4Very low39.7Very low150 Ų150138.2 Ų138.279%0.78575%0.75SS**  trans85.9157.6169.6-69.8101.6000117.9
625M37.8Very low40.1Very low161 Ų161134.6 Ų134.679%0.79374%0.742SS**  cis-173.1152.5-43.7-122.5179.1-176.800112.1
626N37Very low40.3Very low129 Ų129138.3 Ų138.369%0.6975%0.749SS**  trans62117.8150.8-102.115.1000125.5
627N36.6Very low40.6Very low122 Ų122135 Ų13565%0.65274%0.739SS**  68.1156.5121.7-69.6-1.6000126
628H44.5Very low40.5Very low169 Ų169133.7 Ų133.778%0.78273%0.727SS**  trans89.3141.1171.1-52.396.6000116.3
629N41Very low40.4Very low145 Ų145133.7 Ų133.778%0.77573%0.726SS**  cis-154163.1-8.9-137.621000111
630P50.2Low40.2Very low98 Ų98133.6 Ų133.664%0.63673%0.725SS**  trans-109165.6-177.140.4-33.4000115.7
631N41.4Very low39.8Very low156 Ų156131.7 Ų131.783%0.83472%0.724SS**  trans160.1158.4153.4-83.3-29.2000108.2
632T41.4Very low39.4Very low121 Ų121131.8 Ų131.874%0.74273%0.729SS**  cis-157153.722.4-28.90000110.6
633S42.8Very low39.1Very low113 Ų113127.8 Ų127.879%0.7972%0.719SS**  trans49.5132.8159.6540000120.4
634G45.5Very low38.8Very low72 Ų72128.9 Ų128.974%0.74272%0.72SS**  cis94.9147.87.300000114
635P47Very low38.5Very low103 Ų103126.9 Ų126.967%0.66971%0.714SS**  cis-134.8163-8.941.9-26.2000116I637P635-I637 HydrophobicContact CB-CD1 4.21Å
636F36.5Very low38.3Very low199 Ų199125.7 Ų125.787%0.87372%0.716SS**  trans169.5111.2144.4-96.7-67.7000107
637I41.5Very low38Very low137 Ų137122.8 Ų122.870%0.70372%0.717SS**  cis83121.436.3-58.9175.8000112.2P635P635-I637 HydrophobicContact CB-CD1 4.21Å
638P36.6Very low38Very low91 Ų91122.9 Ų122.959%0.59172%0.723SS**  -109.6-167.3-76.312.513.7000109.5
639F38.1Very low37.3Very low178 Ų178120.1 Ų120.178%0.78172%0.723SS**  cis-130.6128.817.6-78-107.1000108
640T33.6Very low37.1Very low94 Ų94119.7 Ų119.758%0.57773%0.726SS**  49.2111.878.668.90000112.4
641V32.1Very low36.3Very low119 Ų119121.8 Ų121.872%0.72173%0.732SS**  53.5147.867.5-43.40000111.7
642N31.3Very low35.9Very low137 Ų137119.3 Ų119.373%0.73373%0.727SS**  cis-160.3-161.724.8-142.3-4.7000106.9
643S31.1Very low35.6Very low75 Ų75118.3 Ų118.352%0.52473%0.725SS.*  cis-174.31328.5127.10000109.3
644L30.5Very low35.1Very low138 Ų138119.7 Ų119.772%0.72372%0.723SS**  trans61.6168.7141.3-73.549.9000117.3
645T31.1Very low34.2Very low108 Ų108120.7 Ų120.766%0.66372%0.724SS**  cis-151.7154.1-4.73.70000109.4
646T34.7Very low33.4Very low136 Ų136120.3 Ų120.383%0.83473%0.729SS**  trans40.6137.6148.458.80000120.7
647G31.3Very low33Very low68 Ų68116.8 Ų116.870%0.70172%0.724SS**  cis-175.3-174.815.700000112.1
648P36.1Very low32.4Very low123 Ų123119 Ų11980%0.79974%0.737SS**  trans-105.9178-149.339.6-37.5000116.8
649S28.8Very low31.9Very low111 Ų111119.1 Ų119.178%0.77675%0.746SS**  trans77.2147.6-178.781.40000113.7
650V38.3Very low31.5Very low137 Ų137116.1 Ų116.183%0.8375%0.746SS**  cis-126.3148.933.3-175.80000115.1
651N31.9Very low31.4Very low142 Ų142120 Ų12076%0.75976%0.762SS**  trans-46.2144.8176.3-66.7-21.1000118.9
652S32.9Very low31.2Very low104 Ų104124 Ų12473%0.72777%0.771SS**  trans68.9152.6133.1-1440000118.5
653S35.2Very low31.2Very low100 Ų100124.9 Ų124.970%0.69978%0.776SS**  cis-144.7157.512.3-44.90000114.1
654N32.2Very low31.3Very low142 Ų142127 Ų12776%0.75979%0.786SS**  trans-23.4140.8151.1-41.4-30.4000114.3
655A28.2Very low31.2Very low93 Ų93130.8 Ų130.877%0.76979%0.79SS**  cis67.5129.343.800000115.1
656A28.9Very low31.3Very low94 Ų94133.3 Ų133.378%0.77779%0.794SS**  trans70.2126.1162.300000120.6
657T28.7Very low31.3Very low125 Ų125132.7 Ų132.777%0.76778%0.782SS**  trans66.698140.2-47.60000119.8
658L29Very low31.5Very low185 Ų185136.7 Ų136.797%0.96978%0.782SS**  trans-135.898.5143.1-80.4-177.6000110.8
659A26.7Very low31.7Very low93 Ų93135.2 Ų135.277%0.76977%0.773SS**  trans-134.674.3176.400000111.1
660S29Very low32.1Very low114 Ų114136.8 Ų136.880%0.79777%0.771SS**  trans-177.8109.2161.5520000111.6
661L30.8Very low32Very low175 Ų175139.8 Ų139.892%0.91677%0.773SS**  trans-160.255160-118.9174.2000114
662F28Very low32.1Very low205 Ų205141.7 Ų141.790%0.89978%0.777SS**  trans-114.1104.3161-99.2-79000109
663N32.1Very low32.4Very low155 Ų155141.7 Ų141.783%0.82978%0.775SS**  trans-173.3151.2141.6-111.2-37.5000117.5
664T32.8Very low32.5Very low120 Ų120146 Ų14674%0.73678%0.784SS**  trans64.579.7147.7-440000121.3
665R28.5Very low32.5Very low217 Ų217147.7 Ų147.782%0.81979%0.787SS**  trans-43.2138.7145.2177-163.5-160.7-151.99115.8
666Q33.5Very low32.8Very low160 Ų160151.6 Ų151.675%0.74880%0.795SS**  trans-163.7125.4141.5-76.3-129.253.800108.4
667Q35Very low32.8Very low123 Ų123153.7 Ų153.758%0.57579%0.793SS**  66.1136.677.8-66.1-164.488.200114.2
668Q34.3Very low33.1Very low152 Ų152152.4 Ų152.471%0.7179%0.789SS**  cis-167.1-161.22.5-118.6-160.175.700108.2
669P40.5Very low33.2Very low93 Ų93151.1 Ų151.160%0.60478%0.783SS**  -133.1-141.9-63.740.9-20.7000113.6
670I36.8Very low33.8Very low144 Ų144151.3 Ų151.374%0.73878%0.776SS**  trans87.6131170.6-51.3-177.9000113.9
671K37.5Very low33.9Very low200 Ų200153 Ų15387%0.8778%0.776SS**  cis-139177.821.6-136146.6-165.4174.80113.8
672Q34Very low34Very low181 Ų181154.2 Ų154.285%0.84677%0.77SS**  trans-125.5-162.4-169.2-68.1-176.4-32.800112.2
673P38.1Very low34.2Very low105 Ų105152.6 Ų152.668%0.68276%0.763SS**  -136.8175.4-67.239.9-24.2000115.2
674Q37.1Very low34.1Very low189 Ų189149.6 Ų149.688%0.88375%0.754SS**  trans-177.7112.8139-102.1168.833.100108.2
675Q32.3Very low34Very low178 Ų178148.2 Ų148.283%0.83275%0.749SS**  54105.481.6-76.8-156.96.200116.8
676L34.9Very low34.6Very low176 Ų176146.4 Ų146.492%0.92175%0.75SS**  -155.8166.7106.1-133.483.8000112.1
677N29.2Very low34.5Very low138 Ų138145.7 Ų145.774%0.73875%0.751SS**  trans-98.1156.9-179.8-154.816000108.7
678S35.5Very low34.5Very low97 Ų97151.4 Ų151.468%0.67877%0.767SS**  177.7139.570.1-56.80000114.1
679N31.1Very low34.5Very low159 Ų159149.7 Ų149.785%0.8577%0.767SS**  trans53.2158.8146.6-93.6-1000124.2
680P40Very low34.3Very low97 Ų97150.3 Ų150.363%0.6378%0.78SS**  trans-112.1-178.7-169.343.7-36.1000116.1
681N30.2Very low34.1Very low149 Ų149146.9 Ų146.980%0.79778%0.781SS**  trans73.8132.2174.1-58.2-38.3000116.5
682Y32.2Very low34.2Very low200 Ų200143.4 Ų143.478%0.78478%0.779SS**  -173119.6125.9-122.7-105.7000112.3
683F32.7Very low34.1Very low172 Ų172141 Ų14175%0.75478%0.776SS**  trans54.7164.3142.3-77-121.1000121.7
684S29.5Very low33.8Very low91 Ų91143.8 Ų143.864%0.63679%0.785SS**  cis-177.2167.8-33.6-170.70000110
685S32.1Very low33.4Very low91 Ų91139.3 Ų139.364%0.63678%0.775SS**  trans71.2153.2165.676.10000117.4
686H39.7Very low33.5Very low180 Ų180138.8 Ų138.883%0.83378%0.777SS**  cis-130.9165.318.3-85.3-80.1000116
687N31.7Very low33.3Very low145 Ų145140.2 Ų140.278%0.77578%0.776SS**  trans-68.4149.3178.6-67.9-36.2000115.3
688R34.7Very low33.6Very low242 Ų242139.6 Ų139.691%0.91378%0.778SS**  176164.7104.2-89.5174.5-158-138.37110.6
689T35Very low33.4Very low116 Ų116141.8 Ų141.871%0.71278%0.781SS**  cis-175.5123.7-42.7-84.20000107.4
690A37Very low33.5Very low106 Ų106145.7 Ų145.788%0.87678%0.784SS**  trans62.7149.2163.300000120.5
691G32.7Very low33.2Very low73 Ų73146.3 Ų146.375%0.75379%0.791SS**  trans139.1114.7172.200000112.9
692P37.6Very low33.4Very low127 Ų127143.8 Ų143.883%0.82579%0.791SS**  trans-101.2174.8-168.239.3-36.3000115.6
693V32.5Very low33.5Very low130 Ų130139.1 Ų139.179%0.78879%0.785SS**  trans-41.2146.8173.6-69.60000116.2
694N31.4Very low33.7Very low164 Ų164137.5 Ų137.588%0.87779%0.789SS**  trans-157.3160.4133.1-114.6-22.9000113.6
695S29.8Very low34Very low95 Ų95138.1 Ų138.166%0.66479%0.793SS**  trans-90.7159.9-172.649.50000113.9
696L35.1Very low34Very low167 Ų167139.9 Ų139.987%0.87480%0.8SS**  trans-132.283.9160.4-81.4176.1000110.6
697F29.4Very low33.9Very low205 Ų205136.9 Ų136.990%0.89980%0.796SS**  trans-88.4125.6150.3-95.6-91.6000107.5
698T35.7Very low33.9Very low126 Ų126135.6 Ų135.677%0.77379%0.794SS**  trans-114.997.9172.8-53.10000109.6
699N31.1Very low33.9Very low142 Ų142130.1 Ų130.176%0.75979%0.787SS**  trans-81.3134.3-179.8-149.4-4.6000110.1
700R33.1Very low33.7Very low242 Ų242131.6 Ų131.691%0.91379%0.79SS**  trans-154.173.6169.4-131.4179-164-1191.1114.2
701S33.2Very low33.7Very low109 Ų109132.9 Ų132.976%0.76279%0.788SS**  trans-71.9139.5165.3-50.60000111.3
702A36.4Very low33.8Very low96 Ų96135 Ų13579%0.79379%0.786SS**  trans-149.1117168.200000110.2
703P33.9Very low33.9Very low103 Ų103136.2 Ų136.267%0.66978%0.784SS**  trans-101.6127.8-179.635.1-29.5000113
704V37.1Very low34.1Very low137 Ų137135.6 Ų135.683%0.8378%0.782SS**  trans-144.9104.3166.5-177.60000105.2
705S35.8Very low34.2Very low104 Ų104132.7 Ų132.773%0.72778%0.775SS**  70.5107.370.3-59.20000112.8
706V31.9Very low34.7Very low129 Ų129134.6 Ų134.678%0.78278%0.783SS**  trans-66.5157177.7-1380000111
707P35.9Very low34.7Very low116 Ų116135 Ų13575%0.75378%0.78SS**  -135.3158.5102.538.4-30.1000114.4
708V32.3Very low35.1Very low119 Ų119132.2 Ų132.272%0.72178%0.78SS**  trans-84.2136.3171.8173.60000109.7
709T35.9Very low35.2Very low127 Ų127132.3 Ų132.378%0.77978%0.781SS**  trans-135.7108.5162.442.20000110.5
710N31Very low35.5Very low146 Ų146130.7 Ų130.778%0.78178%0.78SS**  trans-76.7130.6163.5-75.8-12.3000109.3
711T36.6Very low35.5Very low134 Ų134125.1 Ų125.182%0.82277%0.774SS**  trans-137.1142.5159.5-490000108.1
712V35Very low35.8Very low116 Ų116126.9 Ų126.970%0.70378%0.78SS**  trans-138.4167.9-168.1-160.70000108.5
713I38.1Very low35.5Very low153 Ų153129.7 Ų129.779%0.78578%0.782SS**  trans79.8134.7164.4-56.7172000114.7
714P37.5Very low35.7Very low117 Ų117129.7 Ų129.776%0.7678%0.784SS**  cis-142.9-174-22.741.8-22.7000116.8
715S33.6Very low35.7Very low103 Ų103129.2 Ų129.272%0.7278%0.777SS**  trans-42.7150.6169.5-38.70000121.3
716T39.2Very low35.7Very low135 Ų135131.9 Ų131.983%0.82878%0.776SS**  trans-151.8102.9130.449.80000107.6
717E36Very low35.9Very low175 Ų175131.6 Ų131.682%0.81877%0.77SS**  53.3111.986.8-70.7-156.3154.500117.2
718T38.5Very low35.9Very low148 Ų148135.9 Ų135.991%0.90877%0.771SS**  trans-161.8158.1135.1-0.60000110.2
719T37Very low36Very low128 Ų128136.8 Ų136.879%0.78577%0.771SS**  trans-134.6143-154.445.70000115.2
720S37Very low36.1Very low107 Ų107136.6 Ų136.675%0.74878%0.775SS**  trans168.5103.9139.756.80000110
721T34.3Very low36.4Very low126 Ų126137.4 Ų137.477%0.77378%0.779SS**  45.1109.173.965.90000117.3
722T38Very low36.9Very low146 Ų146136.2 Ų136.290%0.89677%0.774SS**  -156.4157.1121.64.60000110.6
723N31.5Very low37Very low155 Ų155136 Ų13683%0.82978%0.778SS**  trans-115.7-178.3-168.9-91.4-33.1000111.9
724S38.1Very low37Very low102 Ų102136.1 Ų136.171%0.71378%0.779SS**  trans88.5147.2157.989.50000116.6
725N36.8Very low37.1Very low128 Ų128136.9 Ų136.968%0.68478%0.781SS**  cis-160.7157.4-9.8-122-12000114.2
726F35.5Very low37.3Very low159 Ų159137.9 Ų137.970%0.69778%0.778SS**  trans50.4122.2147.8-72.9-54.8000124.3
727N36.6Very low37.4Very low124 Ų124137 Ų13766%0.66377%0.769SS**  85.1124.6122.4-77.1-27000124.2
728R34.7Very low37.5Very low205 Ų205136 Ų13677%0.77477%0.769SS**  86.1122.4128-77.7176.6176.4-114.30.7121.9
729L35.2Very low37.7Very low139 Ų139134 Ų13473%0.72876%0.758SS**  trans62111.8133.6-66.5162.2000119.5
730S38.3Very low37.9Very low123 Ų123135.5 Ų135.586%0.8676%0.762SS**  -178167.7104.2-76.80000112.5
731N37.1Very low38Very low163 Ų163139.3 Ų139.387%0.87277%0.767SS**  trans-93.5168.9-171.3-12924.8000113.4
732P46.6Very low38.3Very low109 Ų109139.4 Ų139.471%0.70877%0.768SS**  trans-105.9164.2-162.840.5-37.2000116.8
733S38.1Very low38.6Very low112 Ų112138.6 Ų138.678%0.78376%0.762SS**  trans-174.5156.8163.9440000107.8
734L37.8Very low38.8Very low155 Ų155140.3 Ų140.381%0.81276%0.763SS**  cis-164.4164.6-3-113.8165.5000108
735V38.6Very low39.1Very low132 Ų132143.5 Ų143.580%0.877%0.772SS**  trans68152.9154.6159.50000118.8
736N39Very low39.4Very low124 Ų124140 Ų14066%0.66377%0.766SS**  cis-167.2180-40.4-159.530.3000109.5
737D40.4Very low39.7Very low117 Ų117137.8 Ų137.863%0.62677%0.771SS**  trans71.891.7152.2-67.4-51.9000121.9
738N38.5Very low39.9Very low154 Ų154140.6 Ų140.682%0.82478%0.78SS**  62.4141.6118.8-95.2-28.8000123.3
739P43.7Very low40.6Very low105 Ų105142.7 Ų142.768%0.68280%0.804SS**  trans-97.3156.6179.639.3-34.6000114.1
740N40Very low40.9Very low161 Ų161142.9 Ų142.986%0.86181%0.807SS**  trans-170.4102.3148.4-107.5-40.9000112.2
741Q38.9Very low41Very low186 Ų186143.9 Ų143.987%0.86981%0.805SS**  trans-159.2136.2148.8-128.1169.676.200111.8
742V40.2Very low41.3Very low128 Ų128142.9 Ų142.978%0.77680%0.801SS**  trans-109.7123.9176.6177.60000107.9
743V44.5Very low40.9Very low130 Ų130144.9 Ų144.979%0.78881%0.806SS**  trans-137140.7163.7-177.60000108.3
744F37.2Very low41.1Very low190 Ų190146.9 Ų146.983%0.83381%0.808SS**  trans-110.1116.1-175.2-126.3-91.4000109.4
745D44.4Very low41.3Very low169 Ų169146.4 Ų146.490%0.90481%0.808SS**  trans175160.4151.8-104.5-30.8000108.8
746G41.8Very low41.5Very low55 Ų55147.4 Ų147.457%0.56781%0.808SS**  cis162.2111.2-4.700000112.3
747S41.7Very low41.7Very low113 Ų113149.2 Ų149.279%0.7982%0.819SS**  trans68.1134.9168-59.10000120.7
748Q42.1Very low41.9Very low183 Ų183151.9 Ų151.986%0.85584%0.835SS**  trans55.2112.3148.7-62.3177.439.800119.9
749I49.3Very low42.2Very low249 Ų249151.7 Ų151.7100%1.27784%0.837SS**  -140.1089.6-89.3160.4000108

Retrieved 749 of 749 residues in 251.7 ms (Link to these results)