A0A077ZGK2_TRITR Loading...

Brain protein 44 protein 2 like

AlphaFold DB , UniProt , Accession A0A077ZGK2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,023 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
1M32.8Very low33.9Very low231 Ų231157 Ų157100%1.13885%0.851SS**  01670-75.6173.467.900108.3
2W34.9Very low34.1Very low248 Ų248152 Ų15294%0.93985%0.847SS**  trans72.182.5-163.5-61.178.5000113.6
3N30.9Very low34Very low154 Ų154151.6 Ų151.682%0.82484%0.842SS**  trans-73.9157.9140.8-61.3-2.8000107.8
4T37.2Very low34Very low140 Ų140146.6 Ų146.686%0.85983%0.83SS**  -167.7152.2123.3-65.50000107
5E36.1Very low34Very low174 Ų174150.5 Ų150.581%0.81384%0.835SS**  trans-91.9-162.1-177.2-66.1160149.800111
6D38.3Very low33.8Very low147 Ų147148.9 Ų148.979%0.78683%0.83SS**  trans63.899160.9-75.2-9.9000120.2
7I34.6Very low33.9Very low172 Ų172145.6 Ų145.688%0.88282%0.82SS**  175.8148.899.9-91.3151.5000111.8
8A34.2Very low34Very low79 Ų79146.6 Ų146.665%0.65382%0.816SS**  trans-100.2138.8-174.900000114.9
9I30Very low34Very low164 Ų164144.1 Ų144.184%0.84181%0.81SS**  trans34.4102.1139.9-45.6171.6000117.8
10V35Very low34.1Very low146 Ų146145.2 Ų145.289%0.88581%0.812SS**  trans-137.8130.5134-178.30000108.3
11G28.7Very low34.1Very low72 Ų72141.8 Ų141.874%0.74281%0.81SS**  trans-113.3121.7177.100000112.2
12A36.9Very low34.1Very low97 Ų97135 Ų13580%0.80280%0.799SS**  trans-139.7152.4170.500000110.1
13N32.7Very low34.1Very low147 Ų147127 Ų12779%0.78679%0.793SS**  trans-96.4146-169.6-110.89.3000113.1
14A34.4Very low34.3Very low81 Ų81125.1 Ų125.167%0.66979%0.792SS**  trans81.3151.414400000121.2
15F33.7Very low34.1Very low206 Ų206123.6 Ų123.690%0.90479%0.787SS**  trans73.6136.7169.3-72.9-75.3000120.9
16T30.8Very low34Very low124 Ų124119.4 Ų119.476%0.76178%0.782SS**  trans-93.5137.4-179.348.50000110.7
17S35Very low33.6Very low93 Ų93124.7 Ų124.765%0.6579%0.791SS**  179.9141.3106.3-1100000113.2
18E35.4Very low33.6Very low163 Ų163120.2 Ų120.276%0.76279%0.788SS**  trans50.295138.2-63.8168111.300121.1
19S33.8Very low33.4Very low99 Ų99122.2 Ų122.269%0.69280%0.797SS**  98.8155.4109.283.20000121.1
20I37.6Very low33.8Very low167 Ų167120.1 Ų120.186%0.85679%0.794SS**  trans71.5126.7159.7-60.1163.3000118.3
21G33Very low33.9Very low74 Ų74119.2 Ų119.276%0.76379%0.794SS**  trans114.5101.3142.900000116.2
22G32.3Very low34.2Very low88 Ų88124.5 Ų124.591%0.90780%0.799SS**  trans-90.2156.7167.400000112.8
23G36.2Very low34.2Very low79 Ų79125 Ų12581%0.81479%0.794SS**  trans-168.9132.1173.600000110.8
24S34.7Very low34.3Very low116 Ų116123.9 Ų123.981%0.81180%0.798SS**  trans-105.1166.6-165.1-61.60000114.8
25S32.5Very low34.3Very low108 Ų108130.5 Ų130.576%0.75581%0.812SS**  trans76.5104.3145.454.60000121.8
26A33.4Very low34.3Very low85 Ų85124.5 Ų124.570%0.70281%0.809SS**  89.6166.811400000121.4
27W31.8Very low34.3Very low258 Ų258126.1 Ų126.198%0.97781%0.807SS**  trans85.9122.3170.6-55.695.1000119.2
28G32.9Very low34.4Very low78 Ų78128.8 Ų128.880%0.80482%0.819SS**  trans119.393.8145.300000118.7
29S30.4Very low34.2Very low121 Ų121128.4 Ų128.485%0.84682%0.815SS**  trans-110.9-177.8149.5-42.50000108.1
30P38.8Very low34.3Very low120 Ų120129 Ų12978%0.77982%0.819SS**  cis-132.3179.2-11.241.7-26.4000113.8
31S37.6Very low33.9Very low128 Ų128125.4 Ų125.490%0.89581%0.814SS**  trans-175.6162.3138.236.10000112.8
32Q34.4Very low33.8Very low182 Ų182134.3 Ų134.385%0.8583%0.825SS**  trans-111.4-166.3-158-143.5-159.3-9.700111.9
33P36.8Very low33.7Very low107 Ų107136.3 Ų136.370%0.69582%0.815SS**  -120.3172.9-111.642.3-27.2000115.9
34S35.6Very low33.4Very low124 Ų124140.5 Ų140.587%0.86782%0.818SS**  trans-145.5160.9158.166.70000111.8
35K33Very low33.3Very low220 Ų220139.9 Ų139.996%0.95782%0.82SS**  trans-100.5137.2-167.4-63.4176.8-179.6176.70112.5
36G34Very low33.2Very low81 Ų81139.5 Ų139.584%0.83582%0.818SS**  trans-153.6115.1163.600000110
37H31Very low33Very low158 Ų158138.7 Ų138.773%0.73182%0.818SS**  trans-122.2115.3-171.7164.1-77.8000110.8
38V36.1Very low33.1Very low149 Ų149138 Ų13890%0.90382%0.815SS**  trans-126.5133.1162.5-177.40000107.1
39K32.2Very low33.2Very low155 Ų155140.5 Ų140.567%0.67482%0.817SS**  trans-100.7115.3-160.5-177.3168.1178.9170.60111.6
40S35.1Very low33Very low111 Ų111138.9 Ų138.978%0.77681%0.811SS**  trans-68.7137.8162.442.30000109.8
41A29.5Very low32.8Very low91 Ų91141.2 Ų141.275%0.75282%0.815SS**  trans-81.4131.2173.500000109.9
42W30.5Very low32.4Very low262 Ų262138.6 Ų138.699%0.99281%0.808SS**  trans-168.155.9157.2-114.847.1000109.2
43D30.2Very low32.3Very low130 Ų130134.5 Ų134.570%0.69581%0.805SS**  trans-151.994.6-177.9-108.1-37.7000109.8
44N31.7Very low32Very low166 Ų166136 Ų13689%0.88881%0.813SS**  trans-167.869.7162.3-127.1-21.6000113.9
45A31Very low32.1Very low103 Ų103136.1 Ų136.185%0.85181%0.811SS**  trans-151.413.7167.500000113.6G47A45-G47 PolarHBondContact O-N 3.46Å; A45-G47 VanDerWaalsContact O-N 3.12Å
46S32Very low32.2Very low101 Ų101132.1 Ų132.171%0.70681%0.805SS**  trans-88.669.1-171.7310000112.4W48S46-W48 PolarHBondContact O-N 3.02Å
47G29.3Very low31.9Very low68 Ų68136.9 Ų136.970%0.70181%0.805SS**  trans-86.837.9-177.800000116.4A45A45-G47 PolarHBondContact O-N 3.46Å; A45-G47 VanDerWaalsContact O-N 3.12Å
48W32.2Very low31.9Very low243 Ų243134.9 Ų134.992%0.9281%0.809SS**  trans-135122.2178.8-75.380.6000111.3S46 A50S46-W48 PolarHBondContact O-N 3.02Å; W48-A50 PolarHBondContact O-N 3.05Å
49P35.4Very low31.7Very low131 Ų131133.7 Ų133.785%0.85180%0.798SS**  trans-80.1117.2174.431.3-31.6000110.9
50A27.7Very low31.6Very low86 Ų86136.4 Ų136.471%0.71180%0.804SS**  trans-113172159.900000109.1W48W48-A50 PolarHBondContact O-N 3.05Å
51I34.7Very low31.4Very low170 Ų170135.9 Ų135.987%0.87280%0.8SS**  trans73.4125.4-169.4-45.5162.2000111
52G27.6Very low31.5Very low72 Ų72137.8 Ų137.874%0.74281%0.805SS**  cis117.265.45.800000111.8
53A33.1Very low31.6Very low96 Ų96134 Ų13479%0.79380%0.803SS**  trans-146.4123.9175.400000110.4
54T30.9Very low31.5Very low139 Ų139131.9 Ų131.985%0.85380%0.804SS**PPolyproline II helixtrans-99.1120.5176.147.40000110.9
55P37.6Very low31.5Very low127 Ų127133.3 Ų133.383%0.82580%0.802SS**PPolyproline II helixtrans-78.1149159.2-8.727.2000110.5
56T35.1Very low31.6Very low135 Ų135133.9 Ų133.983%0.82880%0.795SS**PPolyproline II helixtrans-88166.3-177.248.30000113.6
57E26.9Very low31.7Very low181 Ų181136.8 Ų136.885%0.84680%0.803SS**PPolyproline II helixtrans-53.3142.1171.9-57.3167.610900112.9
58S32.5Very low31.6Very low117 Ų117138.7 Ų138.782%0.81881%0.806SS**  trans-174.9103.3142.7-81.10000113.4
59D30Very low31.8Very low123 Ų123134.5 Ų134.566%0.65880%0.8SS**  81.7158.8124.8-146.83.1000121.6
60W31.4Very low31.7Very low212 Ų212134.3 Ų134.380%0.80379%0.791SS**  trans78.865.5170-55.895.9000121.9
61S31.1Very low32Very low100 Ų100136.1 Ų136.170%0.69979%0.794SS**  27.9133.2121.2-54.20000122.4
62P31.6Very low31.9Very low131 Ų131131.8 Ų131.885%0.85178%0.784SS**  trans-84.616017336.2-36000114.1
63L31.2Very low32.3Very low182 Ų182134.4 Ų134.495%0.95379%0.791SS**  trans-138.1141174.4-147.980.4000112.7
64A28.1Very low32.2Very low86 Ų86133.7 Ų133.771%0.71179%0.792SS**  trans-102.2158.5-171.500000114.8
65K33.2Very low32.3Very low196 Ų196132 Ų13285%0.85279%0.792SS**  trans-160.198162.4-100.2157.9-175.2175.40108.2
66T31.9Very low32Very low116 Ų116133.9 Ų133.971%0.71280%0.795SS**  72.1107.474.964.20000115.4
67N33.7Very low31.9Very low161 Ų161134.4 Ų134.486%0.86180%0.798SS**  trans170.3101152.2-87.7-12.3000105.7
68S28.7Very low31.9Very low109 Ų109137.2 Ų137.276%0.76280%0.801SS**  cis87.914237.8-157.70000113.9
69I35Very low31.9Very low154 Ų154136.9 Ų136.979%0.7980%0.799SS**  trans76.7125.4-179.3-53174000114.8
70D33.6Very low32Very low127 Ų127136.8 Ų136.868%0.67981%0.808SS**  cis-161.9174.5-25.3-130.1-60.6000113.9
71T34.4Very low31.9Very low124 Ų124136 Ų13676%0.76181%0.813SS**  trans-29.7160.516736.60000119.9
72A33.6Very low31.9Very low80 Ų80136.3 Ų136.366%0.66182%0.816SS**  cis-164.11650.800000113.9
73S34.2Very low31.8Very low127 Ų127140.1 Ų140.189%0.88881%0.813SS**  trans64.2140.3159.4680000119.7
74G32.1Very low31.8Very low80 Ų80139.7 Ų139.783%0.82581%0.808SS**  cis163.8104.3-10.400000114
75A33.5Very low31.8Very low104 Ų104144 Ų14486%0.8681%0.814SS**  trans-159.7150.8168.400000110.9
76N29.7Very low31.7Very low166 Ų166143 Ų14389%0.88881%0.812SS**  trans-93126.1-172.4-62.4-31000113.3
77V33.8Very low31.4Very low147 Ų147144 Ų14489%0.89182%0.819SS**  trans-142.4143.8150.5-177.30000109.3
78W27.5Very low31.3Very low239 Ų239142.2 Ų142.291%0.90581%0.813SS**  trans-92.2119-172.1-161.2-55.1000111.2
79S31.9Very low31.3Very low111 Ų111144.7 Ų144.778%0.77681%0.814SS**  trans-16793.1171.1-83.20000112.9Q81S79-Q81 PolarHBondContact O-N 2.79Å
80S32Very low31.2Very low121 Ų121142.7 Ų142.785%0.84681%0.811SS**  trans-87.580179.1-62.40000112.7
81Q29.8Very low31Very low194 Ų194144.3 Ų144.391%0.90782%0.818SS**  trans-88.3103.2165.2-176.3178.680.800109.6S79S79-Q81 PolarHBondContact O-N 2.79Å
82S30.7Very low30.8Very low108 Ų108144 Ų14476%0.75582%0.816SS**  trans-105.4116.1174.4-168.30000111
83R29.9Very low30.6Very low211 Ų211145.9 Ų145.980%0.79683%0.825SS**  trans-87.9107.7174175.4-162.7-87.4-156.2-5.2109.3
84M31.5Very low30.4Very low173 Ų173144.5 Ų144.585%0.85282%0.815SS**  trans-102.9135.2152.3-73.9-66-170.500108.6
85Q28.2Very low30.4Very low177 Ų177144.3 Ų144.383%0.82780%0.801SS**  trans-91.5122.4166.9-70178-69.900108.1
86E30.1Very low30.4Very low174 Ų174147 Ų14781%0.81379%0.789SS**  trans-136.4128.3163.5-166.5159.3-136.800109.8V88E86-V88 PolarHBondContact O-N 2.78Å; E86-V88 VanDerWaalsContact O-N 3.1Å
87T26.1Very low30.7Very low138 Ų138143.3 Ų143.385%0.84778%0.776SS**  trans-88.678-166.9-53.70000110.7
88V30.7Very low30.8Very low122 Ų122142 Ų14274%0.73976%0.764SS**  trans-98.3116.6171.6-174.40000109.1E86E86-V88 PolarHBondContact O-N 2.78Å; E86-V88 VanDerWaalsContact O-N 3.1Å
89M29.8Very low31.3Very low162 Ų162136.1 Ų136.180%0.79875%0.754SS**  trans-76.1126.5-177.2-58.7-164.279.200111.2I91M89-I91 PolarHBondContact O-N 3.49Å
90P31.4Very low31.5Very low112 Ų112135.4 Ų135.473%0.72776%0.755SS**  trans-70.8115.9168.628.9-31.9000109V92P90-V92 PolarHBondContact O-N 2.76Å; P90-V92 VanDerWaalsContact O-N 3.11Å
91I29.8Very low31.7Very low161 Ų161140.4 Ų140.483%0.82676%0.755SS**  trans-66.8111.2166.9-65.1177000106.8M89 S93M89-I91 PolarHBondContact O-N 3.49Å; I91-S93 PolarHBondContact O-N 3.42Å; I91-S93 VanDerWaalsContact O-N 3.13Å
92V31Very low31.8Very low116 Ų116140.2 Ų140.270%0.70375%0.752SS**  trans-68.1110.6179.3178.70000108.8P90 S94P90-V92 PolarHBondContact O-N 2.76Å; P90-V92 VanDerWaalsContact O-N 3.11Å; V92-S94 VanDerWaalsContact C-N 3.3Å; V92-S94 PolarHBondContact O-N 3.44Å
93S29.7Very low31.8Very low121 Ų121138.6 Ų138.685%0.84675%0.751SS**  trans-66.790168-66.40000109.4I91 S95I91-S93 PolarHBondContact O-N 3.42Å; I91-S93 VanDerWaalsContact O-N 3.13Å; S93-S95 PolarHBondContact O-N 3.28Å
94S30.4Very low32.2Very low97 Ų97135.3 Ų135.368%0.67876%0.755SS**  trans-59.1123.9-178.8-59.40000111.7V92V92-S94 VanDerWaalsContact C-N 3.3Å; V92-S94 PolarHBondContact O-N 3.44Å
95S30.9Very low32.1Very low76 Ų76132.7 Ų132.753%0.53175%0.753SS.*  trans-59.5142.6174-179.10000111.3S93 S97S93-S95 PolarHBondContact O-N 3.28Å; S95-S97 PolarHBondContact O-N 3.33Å; S95-S97 VanDerWaalsContact O-N 3.08Å; S95-S97 PolarHBondContact OG-N 3.17Å; S95-S97 PolarHBondContact OG-OG 3.46Å
96W32.6Very low32.2Very low161 Ų161129.9 Ų129.961%0.6175%0.753SS**G310 helixtrans-64.4-11177.1-82.936.1000113.9D98 V99 E466W96-D98 PolarHBondContact O-N 3.32Å; W96-D98 VanDerWaalsContact O-N 3.17Å; W96-V99 PolarHBondContact O-N 3.45Å; W96-E466 HydrophobicContact CH2-CG 4.1Å; W96-E466 WeakPolarHBondContact CH2-OE2 3.49Å; W96-E466 HydrophobicContact CZ2-CG 4.25Å
97S37.3Very low32.5Very low88 Ų88128.2 Ų128.262%0.61576%0.755SS**G310 helixtrans-57-27.3178.7-480000114.9S95S95-S97 PolarHBondContact O-N 3.33Å; S95-S97 VanDerWaalsContact O-N 3.08Å; S95-S97 PolarHBondContact OG-N 3.17Å; S95-S97 PolarHBondContact OG-OG 3.46Å
98D34.7Very low32.5Very low119 Ų119126.4 Ų126.464%0.63675%0.748SS**G310 helixtrans-85.6-17.2-175.6-91.4-56.4000114.9W96W96-D98 PolarHBondContact O-N 3.32Å; W96-D98 VanDerWaalsContact O-N 3.17Å
99V38Very low32.8Very low117 Ų117126.2 Ų126.271%0.70975%0.752SS**G310 helixtrans-73.8-32-176.1-177.60000111.4W96 R101W96-V99 PolarHBondContact O-N 3.45Å; V99-R101 PolarHBondContact O-N 3.38Å; V99-R101 VanDerWaalsContact O-N 3.08Å
100A37Very low32.8Very low96 Ų96127.5 Ų127.579%0.79376%0.755SS**G310 helixtrans-71.20.1-177.200000115.4
101R35.7Very low32.9Very low225 Ų225125.8 Ų125.885%0.84976%0.759SS**G310 helixtrans-121.88.8-174.4-63.7-169.5179.9-155-0115.7V99V99-R101 PolarHBondContact O-N 3.38Å; V99-R101 VanDerWaalsContact O-N 3.08Å
102K33.3Very low33.1Very low191 Ų191125 Ų12583%0.8376%0.761SS**  trans-112.574.9177-75.3177.9178.9167.50112.2
103G29.9Very low32.9Very low73 Ų73124.8 Ų124.875%0.75377%0.765SS**  trans-139.726-177.300000115.1
104V37.2Very low33.2Very low143 Ų143127 Ų12787%0.86776%0.763SS**  trans-132115.2179.3-170.70000109.9S106V104-S106 PolarHBondContact O-N 3.39Å
105S31.4Very low33.3Very low117 Ų117129.5 Ų129.582%0.81877%0.768SS**PPolyproline II helixtrans-76.2118.6-179.6-58.70000111.4
106S29.7Very low33.4Very low119 Ų119136.2 Ų136.283%0.83278%0.782SS**PPolyproline II helixtrans-96.3118.4167.8-175.80000109.6V104V104-S106 PolarHBondContact O-N 3.39Å
107V35.6Very low33.3Very low138 Ų138139.9 Ų139.984%0.83680%0.796SS**PPolyproline II helixtrans-102.9128.3170.4179.50000107.8
108S27.2Very low33Very low100 Ų100138.7 Ų138.770%0.69980%0.798SS**  trans-104.5149.6179.967.50000112.3
109S36Very low33Very low119 Ų119139.5 Ų139.583%0.83281%0.813SS**  trans-147.1146.4159.256.80000109
110H29.8Very low32.8Very low188 Ų188137.5 Ų137.587%0.8782%0.816SS**  trans-96.8149.8-178.1-76.326.3000111.1
111G32.9Very low32.8Very low77 Ų77138 Ų13879%0.79481%0.813SS**  trans-160.157.6-173.300000115.7
112V34.7Very low32.6Very low144 Ų144134.1 Ų134.187%0.87381%0.81SS**  trans11.9127.5162.5-165.70000119.9
113S27.8Very low32.4Very low112 Ų112133.3 Ų133.378%0.78381%0.807SS**  trans-86.8155.9177.8-34.60000115.4
114M34.5Very low32.5Very low166 Ų166135.8 Ų135.882%0.81880%0.802SS**  trans-152.6134.7148.6-79.6-148.6-17600113.6
115L32.5Very low32.5Very low150 Ų150134.2 Ų134.279%0.78580%0.795SS**  trans42.8141134.5-57.8174.9000120.3
116R32.7Very low32.7Very low217 Ų217135.5 Ų135.582%0.81980%0.798SS**  cis-161.513623.2-118171.3179.5-156.33108.4
117R30.9Very low32.8Very low238 Ų238134 Ų13490%0.89880%0.802SS**  75.5120.589-175.8-172.7-93.7-131.1-0.4117.9
118G32.7Very low32.7Very low64 Ų64131 Ų13166%0.6680%0.799SS**  trans132.7109.9161.600000112.3
119S33.3Very low32.8Very low135 Ų135132.6 Ų132.694%0.94481%0.805SS**  67.5125.265-54.70000113
120G33.4Very low32.7Very low76 Ų76133.2 Ų133.278%0.78480%0.804SS**  cis-167.1-159.9-000000108
121S37.8Very low32.8Very low105 Ų105129 Ų12973%0.73480%0.795SS**  cis-178.1135.6-8.349.10000111.1
122N31.3Very low32.6Very low145 Ų145133.3 Ų133.378%0.77579%0.788SS**  trans55.5173.8160.7-58.912.4000117.3
123F30.3Very low32.6Very low174 Ų174126.6 Ų126.676%0.76375%0.747SS**  cis-164.6164.54.2-145.8-143.1000108
124D31Very low33Very low124 Ų124127.7 Ų127.766%0.66374%0.738SS**  cis-157.5167.2-45.6-114.146.9000109.5
125P37.6Very low33.1Very low110 Ų110125 Ų12571%0.71473%0.733SS**  trans-107.6151.9-162.338.9-33.8000117.2
126T36.2Very low33.1Very low145 Ų145124.7 Ų124.789%0.8974%0.736SS**  trans-150.9136.9173.643.90000116.3
127G31.3Very low33.2Very low87 Ų87121.4 Ų121.490%0.89774%0.735SS**  trans76.2146.4163.600000117.4
128G32.6Very low33.3Very low76 Ų76118.9 Ų118.978%0.78473%0.734SS**  cis-168.5172.5-2.700000110.7
129T28.7Very low33.3Very low133 Ų133119.3 Ų119.382%0.81674%0.738SS**  trans-132.3176.5-161.454.10000116.5
130T34Very low33.5Very low132 Ų132117.9 Ų117.981%0.8172%0.724SS**  trans86.7156.5166.874.60000118.9
131S32.5Very low33.5Very low99 Ų99120.2 Ų120.269%0.69273%0.725SS**  cis-162.6169.8-37.365.60000112.3
132W28.8Very low34Very low168 Ų168125.3 Ų125.364%0.63673%0.728SS**  trans-84.1179.9-170.2-85.252.3000115.1Q708 Q709 Q710W132-Q708 VanDerWaalsContact C-NE2 3.29Å; W132-Q708 VanDerWaalsContact O-CA 3.28Å; W132-Q708 WeakPolarHBondContact O-CA 3.45Å; W132-Q708 WeakPolarHBondContact O-CB 3.43Å; W132-Q708 WeakPolarHBondContact O-CG 3.38Å; W132-Q708 PolarHBondContact O-NE2 3.25Å; W132-Q709 CarbonylContact C-O 3.28Å; W132-Q709 VanDerWaalsContact C-O 3.28Å; W132-Q709 WeakPolarHBondContact CA-O 3.44Å; W132-Q710 HydrophobicContact CD2-CG 3.52Å; W132-Q710 HydrophobicContact CE3-CG 3.62Å; W132-Q710 HydrophobicContact CG-CG 3.99Å; W132-Q710 HydrophobicContact CH2-CG 4.32Å; W132-Q710 HydrophobicContact CZ2-CG 4.21Å; W132-Q710 HydrophobicContact CZ3-CG 4.03Å; W132-Q710 VanDerWaalsContact CZ3-NE2 3.27Å; W132-Q710 VanDerWaalsContact CZ3-OE1 3.29Å
133G34.1Very low34.3Very low2 Ų2125.5 Ų125.52%0.02173%0.729CS.*  cis173.1-141.716.600000111.2Q708 Q709G133-Q708 VanDerWaalsContact N-CB 3.34Å; G133-Q708 CarbonylContact O-C 3.03Å; G133-Q708 WeakPolarHBondContact O-CB 3.44Å; G133-Q709 VanDerWaalsContact N-N 3.14Å; G133-Q709 PolarHBondContact N-O 3.41Å; G133-Q709 VanDerWaalsContact O-CA 3.29Å; G133-Q709 WeakPolarHBondContact O-CA 3.41Å; G133-Q709 PolarHBondContact O-N 3.22Å
134K36.8Very low34.5Very low136 Ų136123.9 Ų123.959%0.59173%0.733SS**  trans75.4150165.9-78.4-170.4-178178.70120.1Q709K134-Q709 PolarHBondContact O-NE2 3.15Å; K134-Q709 VanDerWaalsContact O-NE2 3.17Å
135P36.4Very low34.5Very low109 Ų109120.7 Ų120.771%0.70873%0.73SS**  -137.3-178.5-122.744.7-28.5000116.7
136V33.7Very low34.4Very low143 Ų143121.3 Ų121.387%0.86773%0.731SS**  trans-126.3142.5157.3174.60000108.6
137D33Very low34.3Very low149 Ų149120.9 Ų120.980%0.79773%0.729SS**  trans-120124.5-174177.516.1000109.9
138Q33.8Very low34.4Very low185 Ų185123.7 Ų123.786%0.86472%0.723SS**  trans-154.1120.3168.8-75.9-156.7-10.800113
139G33.1Very low34.6Very low72 Ų72125.4 Ų125.474%0.74272%0.724SS**  trans75.795140.100000118.4
140T37.1Very low34.9Very low106 Ų106122.5 Ų122.565%0.6572%0.72SS**  trans-92130.3164.3-53.50000110.2W142T140-W142 PolarHBondContact O-N 3.43Å
141P33.3Very low35Very low125 Ų125123.3 Ų123.381%0.81272%0.724SS**THydrogen-bonded Turntrans-8680.4-167.733.6-37000113.8
142W49.4Very low35.1Very low212 Ų212122 Ų12280%0.80373%0.726SS**THydrogen-bonded Turntrans-154.616.9161.944.4-92.8000114.4T140 V144T140-W142 PolarHBondContact O-N 3.43Å; W142-V144 PolarHBondContact O-N 3.44Å
143D36.2Very low35.5Very low149 Ų149122.5 Ų122.580%0.79773%0.733SS**  trans-76.5111.2173.8-169.2-1.6000110.9
144V34Very low35.5Very low139 Ų139130.4 Ų130.484%0.84277%0.771SS**  trans-140.767.1-178-168.40000109.7W142W142-V144 PolarHBondContact O-N 3.44Å
145G33Very low35.4Very low57 Ų57129.5 Ų129.559%0.58878%0.782SS**  trans-124.475.6-172.800000116.2
146T34.5Very low35.5Very low123 Ų123132.2 Ų132.276%0.75579%0.787SS**  trans42.8124.5148.252.30000122.3
147T33.5Very low35.6Very low136 Ų136132.3 Ų132.383%0.83478%0.783SS**  trans69151.8144.660.40000118.5
148D33.9Very low35.7Very low146 Ų146130.2 Ų130.278%0.78178%0.78SS**  cis-149.9163.6-0.4-160.95.2000112.2
149S36.4Very low35.9Very low113 Ų113126.3 Ų126.379%0.7978%0.779SS**  trans67.1154.216078.30000119.2
150G34.8Very low36.1Very low71 Ų71126 Ų12673%0.73278%0.776SS**  trans175.7-43.1175.900000119.9
151V37.5Very low36.1Very low150 Ų150127.6 Ų127.691%0.90978%0.78SS**  trans64.3106.8169.7-169.80000119.8
152G34.1Very low36.3Very low70 Ų70128 Ų12872%0.72278%0.776SS**  trans86.7160.2145.600000118.8
153K36.6Very low35.6Very low180 Ų180123.3 Ų123.378%0.78378%0.775SS**  cis-150.4131.7-5.5-86.6-168.3177.5-179.60112.6
154M35.4Very low35.7Very low167 Ų167120.3 Ų120.382%0.82377%0.771SS**  43.1117.5126.7-52.8153.8-177.600121.6
155S34.4Very low35.6Very low118 Ų118121.5 Ų121.583%0.82577%0.772SS**  148.3113.8124.4-156.60000109.7
156M37.7Very low35.6Very low166 Ų166123.1 Ų123.182%0.81877%0.774SS**  cis90.8106.935.8-166.1173.8-166.700113.9
157D36.9Very low35.7Very low145 Ų145123.3 Ų123.378%0.77578%0.775SS**  trans-180119.8143.9-101.4-36.7000108.4
158S35.1Very low35.5Very low104 Ų104121.4 Ų121.473%0.72777%0.774SS**  91137.579.6-71.30000112.9
159A37.2Very low35.4Very low103 Ų103117.8 Ų117.885%0.85177%0.771SS**  cis-165.5167.9-11.900000110
160G37.1Very low35Very low65 Ų65119 Ų11967%0.6777%0.774SS**  trans135.698.9160.300000118.7
161N38Very low34.8Very low141 Ų141120.6 Ų120.675%0.75477%0.774SS**  33.7141.9125.4-59.258.8000120.4
162D36.3Very low34.3Very low133 Ų133125.4 Ų125.471%0.71178%0.776SS**  cis-166.81722.6-114.8-26.6000112.7
163S36Very low34Very low113 Ų113129.2 Ų129.279%0.7978%0.779SS**  trans78.8118.1156.2-62.80000122.1
164A36.2Very low33.7Very low86 Ų86125.5 Ų125.571%0.71178%0.776SS**  trans91.490.6135.700000121.5
165L33Very low33.3Very low164 Ų164124 Ų12486%0.85978%0.776SS**  57.5127124.8-56.9164000118.8
166S33.4Very low33Very low92 Ų92123 Ų12364%0.64377%0.769SS**  cis-165.41567.3-107.40000112.6
167T36.3Very low32.6Very low126 Ų126121 Ų12177%0.77376%0.762SS**  trans59.694.4150.6-520000115.5
168A29.7Very low32.2Very low97 Ų97123 Ų12380%0.80276%0.759SS**  54.4137.257.500000113.9
169G30.4Very low32Very low70 Ų70124.2 Ų124.272%0.72275%0.753SS**  cis-178.1175.6-4.200000113.1
170T29.3Very low31.6Very low138 Ų138126.8 Ų126.885%0.84775%0.752SS**  trans-28.6135.415949.70000116.1
171S29.8Very low31.3Very low105 Ų105127.7 Ų127.773%0.73475%0.753SS**  -179.7150.5103.645.30000112.6
172W26.4Very low30.7Very low250 Ų250132.7 Ų132.795%0.94776%0.762SS**  trans-93.3131.8154.9-76.540.2000107.3
173N28.5Very low30.5Very low150 Ų150132.1 Ų132.180%0.80277%0.768SS**  trans-168.4155.4161.9-114.2-32.8000111.8
174S30.1Very low30.1Very low102 Ų102132.4 Ų132.471%0.71377%0.77SS**  trans56107.5167.3-53.70000115.9
175V26.6Very low30Very low136 Ų136132.3 Ų132.382%0.82478%0.777SS**  cis59.7125.135.8-171.60000114
176S28.1Very low29.7Very low97 Ų97130.2 Ų130.268%0.67878%0.776SS**  trans79.5148.9167.478.70000119.7
177N29.7Very low29.7Very low124 Ų124129.5 Ų129.566%0.66378%0.783SS**  trans72.6119.1167-67.2-35000117
178R28.5Very low29.4Very low188 Ų188127.4 Ų127.471%0.70978%0.779SS**  76.7146.184.6-69.8177.5-176.7-118.511.9112.3
179E30.4Very low29.4Very low129 Ų129128.3 Ų128.360%0.60378%0.779SS**  cis-166.1137.9-6-111.7155-172.600108.8
180N29.4Very low29.5Very low157 Ų157134 Ų13484%0.8478%0.784SS**  trans53.5-173.6151.3-66.2-18.4000120.4
181A30.9Very low29.5Very low83 Ų83131.8 Ų131.869%0.68678%0.779SS**  trans59.298.3174.400000116.8
182W26.5Very low29.6Very low247 Ų247131.3 Ų131.394%0.93678%0.782SS**  61115.875.7-65.528.8000114.3
183S31.4Very low29.9Very low121 Ų121125.8 Ų125.885%0.84678%0.776SS**  -175.9143.1109.2-80.40000113.1
184S27.6Very low30Very low118 Ų118123.4 Ų123.483%0.82577%0.771SS**  trans-66.5137.3174.449.70000113.6
185G33.3Very low30.1Very low84 Ų84127 Ų12787%0.86678%0.776SS**  trans-108.9114.2160.200000110.3
186S27.4Very low30.4Very low121 Ų121126.1 Ų126.185%0.84677%0.771SS**  trans-107.4144.3-177.81010000112
187G33.3Very low30.7Very low76 Ų76127.5 Ų127.578%0.78478%0.775SS**  trans171.4115.5173.600000112.6
188A29.9Very low30.7Very low83 Ų83129.8 Ų129.869%0.68678%0.775SS**  cis159.3137.8-24.600000105.6
189S29.5Very low30.7Very low115 Ų115131.7 Ų131.780%0.80478%0.783SS**  trans68.5152.8-179.484.10000115.3
190K32.7Very low30.7Very low191 Ų191134.4 Ų134.483%0.8379%0.793SS**  cis-159.4146.116.8-147.7161.1-173175.20112.1
191A29.7Very low30.9Very low90 Ų90132.8 Ų132.874%0.74479%0.789SS**  trans54.4113.8159.800000118.6
192A31.2Very low31.1Very low95 Ų95135.1 Ų135.179%0.78580%0.797SS**  78143.582.600000113.3
193V34.2Very low31.3Very low135 Ų135132.9 Ų132.982%0.81879%0.789SS**  cis-135.4139.828.8173.40000113.3
194S29.8Very low31.4Very low100 Ų100135 Ų13570%0.69979%0.786SS**  trans-16130.7155.7169.90000119.1
195E32.5Very low31.7Very low178 Ų178138.2 Ų138.283%0.83279%0.785SS**  -144.3128.3107.4-151.2162.8-133.100111.3
196V31.5Very low31.7Very low117 Ų117139.6 Ų139.671%0.70977%0.773SS**  trans-127.4104.7177173.40000108Y198V196-Y198 HydrophobicContact CG1-CD2 4.03Å
197V35.5Very low31.9Very low126 Ų126141.3 Ų141.376%0.76477%0.767SS**  trans-94.698.9169.1-179.40000108
198Y29.1Very low31.9Very low171 Ų171148.4 Ų148.467%0.67177%0.771SS**  trans-72.7-173.4162.3-119.8-110000109.9V196V196-Y198 HydrophobicContact CG1-CD2 4.03Å
199W28.3Very low32Very low228 Ų228146.9 Ų146.986%0.86476%0.762SS**  trans68.9141.6179.2-14.9105.3000113.6
200K31.4Very low32.2Very low187 Ų187146.4 Ų146.481%0.81376%0.759SS**  cis-155133.6-0.3-161.2176.9178.5-176.20109.7P202K200-P202 WeakPolarHBondContact O-CD 3.37Å
201T32.9Very low32.1Very low123 Ų123142.3 Ų142.376%0.75576%0.755SS**  trans-76.6125.6161.536.70000109.6Y203T201-Y203 PolarHBondContact O-N 3.06Å
202P34.7Very low32.3Very low131 Ų131144.6 Ų144.685%0.85175%0.752SS**  trans-85.681.9169.733.5-31.1000109.5K200K200-P202 WeakPolarHBondContact O-CD 3.37Å
203Y32.2Very low32.5Very low200 Ų200144.1 Ų144.178%0.78474%0.743SS**  trans-94117.3166.4-146-91.3000108.9T201T201-Y203 PolarHBondContact O-N 3.06Å
204E32.8Very low32.5Very low167 Ų167139.1 Ų139.178%0.7872%0.715SS**  trans61.7162.7172.9-66.3179.711000119
205K33Very low32.9Very low185 Ų185137.8 Ų137.880%0.80470%0.703SS**  trans73.2110157.7-148.2160.2-178.3176.10114.7
206D34.7Very low33Very low113 Ų113138.9 Ų138.960%0.60470%0.699SS**  cis-155.5151.645.1-102.3-48.8000115.4
207Q31.5Very low33.2Very low156 Ų156139.9 Ų139.973%0.72971%0.706SS**  trans44.690.4138.6-60.6166.158.200121.4
208W32.3Very low33Very low226 Ų226138.3 Ų138.386%0.85671%0.706SS**  -145.3134.8122.5-7381.4000107.3
209G32.8Very low33.4Very low50 Ų50136.2 Ų136.252%0.51572%0.716SS.*  cis162109.2-11.700000111.6
210S32.7Very low33.6Very low106 Ų106129.1 Ų129.174%0.74171%0.714SS**  trans73.1148-171.2-280000113.5
211S32.3Very low33.5Very low104 Ų104132.3 Ų132.373%0.72772%0.721SS**  cis-160153.6-14.9-129.40000107.7
212M33.6Very low33.6Very low138 Ų138136.1 Ų136.168%0.6873%0.73SS**  cis-136.8157.321.6-60.2-175.6-178.200114.2Y1013M212-Y1013 PolarHBondContact O-N 3.25Å
213S34.2Very low33.5Very low86 Ų86138.1 Ų138.160%0.60173%0.728SS**  trans-84.5173.7164.2-162.50000109.8D1011S213-D1011 WeakPolarHBondContact O-CA 3.28Å; S213-D1011 PolarHBondContact O-N 3.17Å
214A35.3Very low33.7Very low29 Ų29133.2 Ų133.224%0.2472%0.721CS.*  cis-127.9-118.1700000116.2D1011 Y1013A214-D1011 VanDerWaalsContact C-CG 3.5Å; A214-D1011 WeakPolarHBondContact CA-OD1 3.22Å; A214-D1011 WeakPolarHBondContact CB-OD1 3.14Å; A214-D1011 VanDerWaalsContact N-CA 3.34Å; A214-D1011 PolarHBondContact N-OD1 3.33Å; A214-Y1013 WeakPolarHBondContact O-CD2 3.11Å; A214-Y1013 WeakPolarHBondContact O-CE2 2.91Å
215V37Very low33.6Very low72 Ų72134.1 Ų134.144%0.43673%0.725SS.*  -133.8118.1-113.31330000121.4D1011 Y1013V215-D1011 PolarHBondContact N-OD2 3.37Å; V215-Y1013 HydrophobicContact CG2-CE2 3.91Å
216R34.7Very low33.7Very low202 Ų202129.5 Ų129.576%0.76272%0.721SS**  trans68.3171.3145.9-52171.7-163.3-160.3-0.2118.1
217T37.5Very low33.8Very low138 Ų138130.7 Ų130.785%0.84773%0.732SS**  cis-148.4166.98.1-28.80000111.6
218A31.2Very low34.1Very low92 Ų92129.4 Ų129.476%0.7674%0.738SS**  trans-89.2145.2-175.500000115.8
219S35.6Very low34.4Very low128 Ų128122 Ų12290%0.89573%0.731SS**  trans174156.113051.90000111.5
220G33.2Very low34.4Very low78 Ų78131.5 Ų131.580%0.80475%0.751SS**  trans106.3129.5169.400000115.3
221W30Very low34.5Very low254 Ų254130.6 Ų130.696%0.96275%0.745SS**  trans-105.3129.1162.8-75.971.7000107.7
222E34.4Very low34.6Very low204 Ų204133.2 Ų133.295%0.95375%0.751SS**  trans-161.6152.9151.8-122.1171.7174.500112.5
223E33Very low34.5Very low173 Ų173130.4 Ų130.481%0.80875%0.749SS**  trans-154.8153.5-169.3171-174.4177.500106.2
224P36.1Very low34.4Very low97 Ų97137.1 Ų137.163%0.6376%0.762SS**  cis-129.5-158.7-11.931.4-8.9000113.5
225Q31.1Very low34.5Very low185 Ų185142.8 Ų142.886%0.86479%0.787SS**  trans101.2147.8136.9-95.4-177.411.700123.5
226A34.2Very low34.4Very low88 Ų88143.2 Ų143.273%0.72779%0.793SS**  trans70.2126.2168.600000119.4
227V36.3Very low34.5Very low138 Ų138139.1 Ų139.184%0.83679%0.792SS**  cis81.8139.936.2175.60000112.1
228P39.4Very low34.3Very low130 Ų130140.1 Ų140.184%0.84479%0.787SS**  cis-131.7-176.616.433.5-11.8000117.5
229G37.2Very low34.6Very low69 Ų69141.9 Ų141.971%0.71179%0.789SS**  trans-163.81.3178.600000126.2
230R34.4Very low34.4Very low250 Ų250140.7 Ų140.794%0.94378%0.778SS**  trans62.6153.6176.5-69.7179.5169.4-173.1-4.2117.8
231S34.5Very low34.2Very low88 Ų88142.5 Ų142.562%0.61578%0.778SS**  cis-173.3149.2-24.651.30000111.1
232N33.8Very low34.5Very low159 Ų159137.2 Ų137.285%0.8577%0.769SS**  trans75.6146172-48-15.6000116.7
233A31.4Very low34.5Very low78 Ų78133.7 Ų133.765%0.64576%0.761SS**  cis-168.4163.8-23.800000110.6
234W33Very low34.4Very low227 Ų227137 Ų13786%0.8677%0.766SS**  trans81.196.2167.2-61.590.3000121.7
235I36.2Very low34.4Very low149 Ų149137.9 Ų137.976%0.76477%0.77SS**  trans67.4130.8130.7-57.3-171.1000122.5
236S35.6Very low34.4Very low81 Ų81132.1 Ų132.157%0.56676%0.761SS**  trans-55.4-177.1167-67.20000116.3E238S236-E238 WeakPolarHBondContact CB-OE1 3.46Å; S236-E238 PolarHBondContact OG-OE1 2.97Å
237P35.9Very low34.3Very low115 Ų115133.4 Ų133.475%0.74776%0.761SS**  cis-118.6139.4-0.711.714.1000114.3
238E34.9Very low34.5Very low160 Ų160133.1 Ų133.175%0.74876%0.762SS**  76.290.679.2-66.9163.1-135.100114.9S236S236-E238 WeakPolarHBondContact CB-OE1 3.46Å; S236-E238 PolarHBondContact OG-OE1 2.97Å
239T36.5Very low34.6Very low128 Ų128133.2 Ų133.279%0.78576%0.76SS**  trans-79.6166.3138.454.40000109
240P31.8Very low34.4Very low104 Ų104138.5 Ų138.568%0.67577%0.766SS**  -144.1123.3115.333.6-18.7000114.3N242P240-N242 PolarHBondContact O-N 3.23Å
241S29.2Very low34.4Very low115 Ų115135.6 Ų135.680%0.80476%0.764SS**  trans-79.893.7154.953.90000109.1
242N35.1Very low34.2Very low144 Ų144138.5 Ų138.577%0.7777%0.772SS**  trans-96.4115.2173.2-87-12.5000111P240P240-N242 PolarHBondContact O-N 3.23Å
243V35.5Very low34.2Very low130 Ų130137 Ų13779%0.78877%0.774SS**  trans-64.3134.8162.7175.10000108.3
244W30.5Very low34.3Very low241 Ų241138.2 Ų138.291%0.91378%0.778SS**  trans-128147.6166.3-138.658.8000111.3
245T35.8Very low34.2Very low117 Ų117135.9 Ų135.972%0.71878%0.779SS**  trans-104134.1-161.847.60000112.7
246G31.2Very low34.3Very low64 Ų64134.8 Ų134.866%0.6678%0.779SS**SBendtrans99.6152.1171.700000113.7
247P32.5Very low34.2Very low115 Ų115143.5 Ų143.575%0.74780%0.799SS**  trans-68.8142.9174.130.4-34.1000110V249P247-V249 PolarHBondContact O-N 2.92Å
248P39.8Very low34.2Very low132 Ų132145 Ų14586%0.85780%0.801SS**  trans-65.6109.3178.326.4-33.4000110.4
249V42.2Very low34.3Very low131 Ų131142.9 Ų142.979%0.79480%0.795SS**  trans-66.9145.7167.1175.50000108.9P247P247-V249 PolarHBondContact O-N 2.92Å
250Q33.7Very low34.2Very low180 Ų180141.9 Ų141.984%0.84179%0.79SS**  trans-44.2134.7-175-60.4160.7-67.700114.5
251Q33.8Very low34.3Very low190 Ų190144.6 Ų144.689%0.88879%0.788SS**  trans-143.5146.7142.8-109.3173.47.900109.5
252D30.7Very low35Very low149 Ų149143.9 Ų143.980%0.79778%0.781SS**  trans-78.3142.6-154.7-67.8-86.1000116.8
253S33.4Very low35.2Very low127 Ų127146.7 Ų146.789%0.88879%0.787SS**  trans-152.3128.7137.8-790000108.3
254S32.6Very low35.2Very low104 Ų104148.3 Ų148.373%0.72778%0.783SS**  trans-93.9169.4-153.460.10000115.5
255M30.8Very low35.7Very low177 Ų177142.6 Ų142.687%0.87278%0.78SS**  trans79.359174.2-52.3-166.7-63.800118.2
256V39.4Very low35.7Very low126 Ų126142 Ų14276%0.76479%0.787SS**  trans-119.5104.5150.7-174.50000109.4N258V256-N258 PolarHBondContact O-N 3.22Å
257W32.9Very low35.9Very low265 Ų265147.4 Ų147.4100%1.00480%0.797SS**  trans-8685.7-179.7-107.953000111.3
258N35.2Very low36.1Very low146 Ų146148.3 Ų148.378%0.78180%0.795SS**  trans-11685.5172.4-91.8-23000111.1V256V256-N258 PolarHBondContact O-N 3.22Å
259N38.4Very low35.9Very low115 Ų115149.2 Ų149.262%0.61579%0.793SS**  trans-15497.1164.4-173.21.4000112.6
260P34.3Very low35.6Very low107 Ų107151.6 Ų151.670%0.69579%0.792SS**  trans-81.1114.4165.532-29.8000110.9
261Y34.1Very low35.7Very low161 Ų161145.7 Ų145.763%0.63178%0.78SS**  trans77.271169.2-52.8-79.3000120
262P42.5Very low35.9Very low101 Ų101143.6 Ų143.666%0.65678%0.78SS**  trans-71138.8146.231.9-31.7000110.7
263K40.9Very low35.9Very low203 Ų203139.9 Ų139.988%0.88378%0.777SS**  trans-79.6154.2-176.4-68.4177.6-179.11740112.8S265K263-S265 PolarHBondContact O-N 3.29Å
264K35.7Very low36.3Very low163 Ų163141.3 Ų141.371%0.70977%0.773SS**SBendtrans-68.486.6-174.5-64.3179.8175.6-176.70114.1E383K264-E383 IonicContact NZ-OE1 2.71Å; K264-E383 PolarHBondContact NZ-OE1 3.33Å; K264-E383 IonicContact NZ-OE2 3.85Å; K264-E383 PolarHBondContact NZ-OE2 3.22Å
265S39Very low36.4Very low121 Ų121148.6 Ų148.685%0.84679%0.785SS**  trans-172.156.7155.960.50000114K263K263-S265 PolarHBondContact O-N 3.29Å
266A37.6Very low36.6Very low106 Ų106142.6 Ų142.688%0.87677%0.768SS**  trans-128122.816500000108.3
267M34.6Very low36.5Very low176 Ų176140.9 Ų140.987%0.86776%0.755SS**  trans-113.3120.5-165.4-177.7176.970.100111.5
268L36Very low37Very low135 Ų135133.5 Ų133.571%0.70774%0.741SS**  trans41.190.8161.9-76.8162.3000116.7K270L268-K270 HydrophobicContact CD2-CG 4.46Å
269D35.9Very low37.7Very low151 Ų151133.5 Ų133.581%0.80774%0.741SS**  trans-73.9148145-162.2-1.9000109.7
270K36.2Very low38.1Very low180 Ų180134.2 Ų134.278%0.78375%0.745SS**  trans-144.5105.5-177-88.4-165.2173.1-171.80111.5L268L268-K270 HydrophobicContact CD2-CG 4.46Å
271G34.9Very low38.4Very low57 Ų57135.2 Ų135.259%0.58874%0.741SS**  trans104158.8-175.400000110.7
272T39.8Very low38.6Very low146 Ų146130.6 Ų130.690%0.89674%0.742SS**  cis-145151.3-12.6460000106
273G30Very low38.2Very low71 Ų71133.3 Ų133.373%0.73275%0.746SS**  cis149.269.79.900000108.4
274I40.7Very low38.3Very low156 Ų156130 Ų13080%0.874%0.736SS**SBendtrans-134.813.8-172-22.7178.5000114.2
275W36.3Very low38.7Very low257 Ų257129.5 Ų129.597%0.97373%0.734SS**SBendtrans-130.1116.5164.7-75.987.3000107.8
276G33.4Very low38.8Very low51 Ų51135.3 Ų135.353%0.52674%0.737SS.*  trans-76.4151-16400000114.3
277D37.6Very low38.7Very low90 Ų90142.1 Ų142.148%0.48174%0.741SS.*  trans-52.6120.5167.3-177.125.9000110.8D279 N280D277-D279 PolarHBondContact O-N 2.67Å; D277-N280 HydrophobicContact CB-CB 4.26Å; D277-N280 PolarHBondContact O-N 3.37Å; D277-N280 PolarHBondContact OD2-ND2 3.17Å
278P43.7Very low39Very low110 Ų110142.6 Ų142.671%0.71474%0.738SS**G310 helixtrans-66.4-24.6-168.725.8-35.5000113.7N280P278-N280 VanDerWaalsContact C-N 3.34Å
279D50.2Low39.2Very low147 Ų147142.7 Ų142.779%0.78675%0.745SS**G310 helixtrans-88.21.4-177.8-61.8-44.4000113.3D277D277-D279 PolarHBondContact O-N 2.67Å
280N46Very low39Very low129 Ų129143.3 Ų143.369%0.6975%0.748SS**G310 helixtrans-123.512.3-172.6-96.5-55.5000115.4D277 P278D277-N280 HydrophobicContact CB-CB 4.26Å; D277-N280 PolarHBondContact O-N 3.37Å; D277-N280 PolarHBondContact OD2-ND2 3.17Å; P278-N280 VanDerWaalsContact C-N 3.34Å
281Q40.6Very low39.1Very low129 Ų129138.8 Ų138.860%0.60374%0.744SS**  trans-106.1103.4-179.7-70.8-101.1-32.800112.2
282G40Very low39.2Very low64 Ų64143.3 Ų143.366%0.6676%0.755SS**  trans-68.3159172.900000113.9I284G282-I284 PolarHBondContact O-N 3.36Å
283E34Very low39Very low158 Ų158144.3 Ų144.374%0.73876%0.755SS**  trans-35.588.5-170.9-59.2-175.616500118.1K285E283-K285 PolarHBondContact O-N 3.45Å; E283-K285 WeakPolarHBondContact OE2-CE 3.33Å; E283-K285 IonicContact OE2-NZ 2.75Å; E283-K285 PolarHBondContact OE2-NZ 3.21Å
284I41.8Very low39.3Very low132 Ų132145 Ų14568%0.67775%0.754SS**  trans-80.3102.4163.5-58.4-176000108.9G282G282-I284 PolarHBondContact O-N 3.36Å
285K45.4Very low38.8Very low154 Ų154144 Ų14467%0.6775%0.754SS**  trans-72.3152.1-175.7-69.8-176.2173.278.30112.6E283 W287E283-K285 PolarHBondContact O-N 3.45Å; E283-K285 WeakPolarHBondContact OE2-CE 3.33Å; E283-K285 IonicContact OE2-NZ 2.75Å; E283-K285 PolarHBondContact OE2-NZ 3.21Å; K285-W287 PolarHBondContact O-N 2.95Å
286R40.9Very low38.8Very low242 Ų242136.5 Ų136.591%0.91374%0.739SS**  trans-55.8131.3-177.4-77.7174.8156.8-177.5-8112.8K288R286-K288 PolarHBondContact O-N 3.15Å
287W35.8Very low38.7Very low250 Ų250140.5 Ų140.595%0.94775%0.754SS**  trans-62.8113.1163.3-50.168.8000108.6K285K285-W287 PolarHBondContact O-N 2.95Å
288K40.2Very low38.4Very low185 Ų185140.6 Ų140.680%0.80477%0.767SS**  trans-109.9133169.2-173.9178.4177.9-174.30107.6R286R286-K288 PolarHBondContact O-N 3.15Å
289T39.6Very low37.7Very low138 Ų138140.2 Ų140.285%0.84777%0.773SS**  trans-61.1139.6178.530.80000111.5
290N32.3Very low36.8Very low164 Ų164137.4 Ų137.488%0.87777%0.77SS**  trans-71.3148.2-175.4-68.2-25.7000112.4
291A37.4Very low36.1Very low85 Ų85136.4 Ų136.470%0.70277%0.773SS**  trans-140.6126.3147.100000107.4
292D37.8Very low35.6Very low152 Ų152135.1 Ų135.181%0.81378%0.779SS**  trans58.977.2154.3-45.5-28000119.2
293D35.7Very low35.3Very low167 Ų167137.5 Ų137.589%0.89379%0.785SS**  56.3162.9112.7-147.75.9000122.6
294A36.5Very low35.2Very low86 Ų86134.8 Ų134.871%0.71178%0.783SS**  trans61.794.1166.900000119
295T30.7Very low34.9Very low133 Ų133133.6 Ų133.682%0.81678%0.782SS**  trans-82.2175.5154.470.40000110.1
296P34.8Very low34.2Very low101 Ų101131.6 Ų131.666%0.65678%0.775SS**  cis-141.9173.86.439.8-19.5000118.1
297T30.8Very low33.8Very low135 Ų135126.8 Ų126.883%0.82876%0.757SS**  trans67.4145.5146.743.40000123.6
298A32.1Very low33.9Very low92 Ų92119.9 Ų119.976%0.7675%0.747SS**  trans75.78314300000121.2
299A29Very low33.7Very low102 Ų102115.7 Ų115.784%0.84374%0.738SS**  74.3166.1122.600000121.5
300A31.1Very low33.5Very low87 Ų87114.8 Ų114.872%0.71973%0.732SS**  trans68.1102.6159.200000120.3
301S31.4Very low33.8Very low109 Ų109114 Ų11476%0.76273%0.728SS**  80.8157.8129.7-55.40000120.8
302S31.5Very low33.8Very low102 Ų102116 Ų11671%0.71373%0.733SS**  trans44.590.7154.746.50000117.5
303S32.5Very low33.4Very low113 Ų113114.9 Ų114.979%0.7973%0.732SS**  81.216075.675.20000115.3
304S32Very low33.3Very low101 Ų101114.1 Ų114.171%0.70673%0.728SS**  trans77.9102.2155.5-1520000120.6
305V35.2Very low33Very low108 Ų108116.1 Ų116.166%0.65573%0.727SS**  86.395.81231710000121.6
306Q31.9Very low33.2Very low111 Ų111116.5 Ų116.552%0.51972%0.724SS.*  80137.8118.6-64.1-176.218.100125.3R693Q306-R693 VanDerWaalsContact OE1-NH1 3.08Å
307R31.6Very low33.3Very low141 Ų141118.6 Ų118.653%0.53273%0.729SS.*  trans89109.1140-82.2175.5-128.6-145.36121.3C692R307-C692 PolarHBondContact NH1-SG 2.88Å
308S37.9Very low33.5Very low105 Ų105116.9 Ų116.973%0.73472%0.723SS**  trans-73.5168.5141.8-30.30000111.9
309P35.6Very low33.7Very low97 Ų97118.9 Ų118.963%0.6373%0.725SS**  -140.8-166119.939.6-25.6000114.1
310V35.6Very low33.9Very low119 Ų119118 Ų11872%0.72172%0.719SS**  trans-146.8138.3-153.9166.20000112.9
311L39.8Very low34Very low148 Ų148118.8 Ų118.878%0.77573%0.725SS**  trans59.5161.3163-67.5168.6000119.8
312P35.4Very low34.2Very low127 Ų127117.9 Ų117.983%0.82572%0.724SS**  -135.5-179.6106.640.4-30.8000115.2
313V30.6Very low34.3Very low128 Ų128117.7 Ų117.778%0.77673%0.729SS**  trans-113.2160.5-174.5172.60000110.8
314N32.5Very low34.4Very low151 Ų151117 Ų11781%0.80772%0.724SS**  trans-125.7153.8163-163.213.1000112.2
315N31.5Very low34.5Very low129 Ų129117.3 Ų117.369%0.6973%0.726SS**  trans-95.2165.3-166.8-78.8-28.2000114.3
316N35Very low34.4Very low141 Ų141118.3 Ų118.375%0.75473%0.732SS**  -171.9134.6109.8-91.1-25.6000113.7
317N35.8Very low34.6Very low145 Ų145117.7 Ų117.778%0.77574%0.74SS**  trans37.6137.2150.1-61.1-4.9000121
318S34.9Very low34.7Very low99 Ų99119.8 Ų119.869%0.69275%0.753SS**  cis-165.2-173.3-6.3-79.40000106.6
319T36.7Very low34.4Very low133 Ų133121.3 Ų121.382%0.81675%0.751SS**  cis-158.6-176.314.6-270000109.8
320A34Very low34.3Very low85 Ų85122.4 Ų122.470%0.70276%0.757SS**  trans24.2106.8150.500000119
321A33.4Very low34Very low102 Ų102121.3 Ų121.384%0.84375%0.754SS**  84.8138.975.700000114
322A34.4Very low33.7Very low91 Ų91122.6 Ų122.675%0.75276%0.756SS**  cis-164.2163.3-10.500000110.8
323A34.1Very low33.5Very low98 Ų98124.3 Ų124.381%0.8175%0.753SS**  trans62.1147.9160.500000118.6
324S35Very low33.5Very low98 Ų98122.8 Ų122.869%0.68575%0.748SS**  cis-168.7144.4-14.948.40000110.4
325S34.3Very low33.3Very low107 Ų107122.1 Ų122.175%0.74875%0.75SS**  trans54.4149.1143.365.70000121.6
326V32.8Very low33.3Very low129 Ų129120.3 Ų120.378%0.78275%0.753SS**  cis-166.6137.2-12.2128.70000106.2
327S35.2Very low32.9Very low98 Ų98122.7 Ų122.769%0.68576%0.762SS**  trans159128.7140.7-79.50000114.1
328K33.9Very low32.7Very low186 Ų186121 Ų12181%0.80976%0.761SS**  36.5136.4126.7-60.9176.8179.9178.30118.9
329I32.3Very low32.5Very low136 Ų136120.7 Ų120.770%0.69776%0.759SS**  cis-163128.311.2-111.9161.6000105.5
330T32.1Very low32.2Very low121 Ų121121.1 Ų121.174%0.74276%0.761SS**  49128.193.5-61.50000114.2
331S30.1Very low32.1Very low96 Ų96128.7 Ų128.767%0.67177%0.772SS**  cis-173.9156.3-15.254.40000107.5
332Q32.8Very low32Very low174 Ų174133.3 Ų133.381%0.81377%0.773SS**  trans172.5150.5135.1-98.51746.600115.6
333Q31.3Very low31.9Very low163 Ų163136.8 Ų136.876%0.76278%0.779SS**  trans57.6118.4149.2-76.1-170.2-37.600123.7
334S32.4Very low31.8Very low96 Ų96137.9 Ų137.967%0.67178%0.78SS**  78.398123.7-57.20000119.7A336S334-A336 PolarHBondContact O-N 3.32Å
335T28Very low31.7Very low137 Ų137139.1 Ų139.184%0.8479%0.786SS**  trans-33.4119.5150.246.40000114.7
336A31.3Very low31.7Very low92 Ų92142.2 Ų142.276%0.7679%0.793SS**  trans-130.7105.4155.100000108.1S334 S338S334-A336 PolarHBondContact O-N 3.32Å; A336-S338 PolarHBondContact O-N 3.04Å
337M25.6Very low31.7Very low191 Ų191140.1 Ų140.194%0.94179%0.788SS**  trans-79.9101.8176.1-73.7-174.3170.900109.3
338S31.4Very low31.7Very low109 Ų109141.6 Ų141.676%0.76280%0.796SS**  trans-123.782.1179-166.80000111.6A336 V340A336-S338 PolarHBondContact O-N 3.04Å; S338-V340 PolarHBondContact O-N 2.91Å
339S32.5Very low31.9Very low92 Ų92143.7 Ų143.764%0.64380%0.799SS**  trans25.782.3142.2-51.80000119W341S339-W341 PolarHBondContact O-N 3.2Å
340V30Very low31.9Very low142 Ų142143.1 Ų143.186%0.86180%0.804SS**  trans16.365.2133.9-159.50000117.9S338S338-V340 PolarHBondContact O-N 2.91Å
341W31.1Very low32.1Very low244 Ų244145.2 Ų145.292%0.92481%0.809SS**  trans-137.258.6167.7-74.890.4000112S339S339-W341 PolarHBondContact O-N 3.2Å
342K32.7Very low32.4Very low199 Ų199149 Ų14987%0.86581%0.813SS**  trans-142.984.4165-74.5-172.4179.41770109.7
343D32.2Very low32.2Very low165 Ų165146.9 Ų146.988%0.88282%0.815SS**  trans171.692.5145-89-19000110.5
344S31.2Very low32.4Very low120 Ų120145.8 Ų145.884%0.83982%0.819SS**  trans-162.3130.7160.7-83.30000109.9
345P32.4Very low32.2Very low124 Ų124144.2 Ų144.281%0.80582%0.817SS**  trans-92.6107.3-17433.7-31.9000112.4
346I35.4Very low32.4Very low173 Ų173143.8 Ų143.889%0.88782%0.82SS**  trans-175.6104.8141.7-91.9146.2000106
347A32.4Very low32.2Very low84 Ų84144.2 Ų144.269%0.69482%0.824SS**  trans-152.3121.6173.700000108.6R349A347-R349 PolarHBondContact O-N 1.77Å
348P35.4Very low32.3Very low130 Ų130138.6 Ų138.684%0.84482%0.815SS**PPolyproline II helixtrans-67.2123177.527.6-32.8000109.5
349R36.7Very low32.4Very low229 Ų229139.9 Ų139.986%0.86482%0.823SS**PPolyproline II helixtrans-73.5132.2177.6-66.3-176.4177.3-165.7-0.8109.7A347 I351A347-R349 PolarHBondContact O-N 1.77Å; R349-I351 PolarHBondContact O-N 2.63Å
350P32.7Very low32.1Very low124 Ų124138.6 Ų138.681%0.80583%0.825SS**PPolyproline II helixtrans-66.5116.9173.927-33.3000109.9K352P350-K352 PolarHBondContact O-N 3.4Å
351I37.3Very low32.3Very low165 Ų165137.2 Ų137.285%0.84682%0.822SS**  trans-80.6112.5175.7-59.1179.2000107.8R349R349-I351 PolarHBondContact O-N 2.63Å
352K35.3Very low32.2Very low176 Ų176129.4 Ų129.477%0.76581%0.809SS**  trans-67.9137.6176.3-62.5-178.7178.9-176.40110.2P350 V354P350-K352 PolarHBondContact O-N 3.4Å; K352-V354 PolarHBondContact O-N 2.77Å
353P30Very low32Very low130 Ų130131.6 Ų131.684%0.84481%0.812SS**  trans-68121168.428.7-32.7000109.5
354V35.2Very low32Very low140 Ų140127.8 Ų127.885%0.84880%0.804SS**  trans-103.1107170.3-179.40000107.6K352K352-V354 PolarHBondContact O-N 2.77Å
355G28.5Very low31.9Very low62 Ų62128.4 Ų128.464%0.63980%0.803SS**  trans-89.5176.1174.800000113.2
356S30.4Very low31.7Very low129 Ų129128.7 Ų128.790%0.90281%0.807SS**  trans69.4137.3-178.7-67.40000116.2
357A29Very low31.3Very low101 Ų101123.8 Ų123.884%0.83580%0.8SS**  cis-164158-1300000110.5
358G27.2Very low31.2Very low73 Ų73127 Ų12775%0.75381%0.811SS**  trans143108.2157.800000117.2
359S32.3Very low30.9Very low135 Ų135124 Ų12494%0.94480%0.803SS**  trans65.3134.6162.2-1500000118.7
360G27Very low31.1Very low66 Ų66118.1 Ų118.168%0.6879%0.794SS**  cis167.377.9-5.400000116.1
361S33.2Very low30.8Very low113 Ų113122 Ų12279%0.7980%0.799SS**  trans178119.4156.4-78.30000107.2
362A29.1Very low30.3Very low80 Ų80117.1 Ų117.166%0.66179%0.79SS**  71.5139.85100000112.4
363W30.2Very low29.9Very low244 Ų244117.4 Ų117.492%0.92480%0.798SS**  cis-147.5163.223-52.768.1000113.5
364A30.5Very low29.7Very low86 Ų86113.1 Ų113.171%0.71178%0.777SS**  trans-6.2151.9170.800000123.2
365T29.7Very low29.3Very low132 Ų132109.1 Ų109.181%0.8176%0.756SS**  cis88.6106.413.976.30000120.6
366S28.5Very low29.3Very low130 Ų130111 Ų11191%0.90975%0.75SS**  trans179.6153.9146-78.50000108
367G26.9Very low29.1Very low71 Ų71112.6 Ų112.673%0.73274%0.741SS**  cis102.6131.633.500000108.8
368V29.6Very low28.9Very low152 Ų152113.2 Ų113.292%0.92174%0.739SS**  cis-150.6166.57.2178.60000108.5
369G29.5Very low28.9Very low65 Ų65114.1 Ų114.167%0.6774%0.74SS**  trans-81.9-152.6176.400000115
370P40.7Very low28.6Very low106 Ų106111.3 Ų111.369%0.68873%0.732SS**  cis-139.5-155.53.939.9-17.2000115.2
371F26.7Very low28.6Very low205 Ų205113.2 Ų113.290%0.89974%0.735SS**  trans75.3139.2177.1-48.3-74.9000117.7
372G26.5Very low28.4Very low64 Ų64113 Ų11366%0.6672%0.724SS**  cis178.6133.5-11.900000116.7
373I27.9Very low28.3Very low181 Ų181115.9 Ų115.993%0.92872%0.724SS**  trans53.1139.8147-13.9-179.2000121.6
374G25.3Very low28.2Very low40 Ų40108 Ų10841%0.41272%0.718SS.*  trans-158.7-41.8-179.900000121.5L768G374-L768 PolarHBondContact O-N 3.48Å
375S26.9Very low28.1Very low57 Ų57109.5 Ų109.540%0.39972%0.724SS.*  trans65.3143.9175-60.70000117.6K767 L768S375-K767 CarbonylContact O-C 3.22Å; S375-K767 VanDerWaalsContact O-C 3.22Å; S375-K767 WeakPolarHBondContact O-CA 3.34Å; S375-K767 PolarHBondContact O-N 3.17Å; S375-L768 PolarHBondContact O-N 3.02Å; S375-L768 VanDerWaalsContact O-N 3.15Å
376L27.7Very low28Very low101 Ų101108.6 Ų108.653%0.52971%0.713SS.*  59145100.3-53.7175.2000115.8K767 L768L376-K767 CarbonylContact O-C 3.09Å; L376-K767 VanDerWaalsContact O-O 3.14Å; L376-L768 PolarHBondContact O-N 3.29Å
377K26.1Very low28.1Very low163 Ų163108.7 Ų108.771%0.70971%0.708SS**  cis-150.4149.49.3-112.1145.4-178.1177.60109.3
378S26Very low28Very low113 Ų113110 Ų11079%0.7971%0.706SS**  60.8145.489.1-134.90000115.7
379A26.9Very low28Very low93 Ų93107.9 Ų107.977%0.76970%0.695SS**  cis-160165.413.100000113.7
380G26.8Very low27.8Very low75 Ų75117.3 Ų117.377%0.77371%0.71SS**  trans73166.5155.800000118
381S25.8Very low27.1Very low106 Ų106116.1 Ų116.174%0.74171%0.71SS**  cis-152.4133.6-13.4-177.10000106.6
382L29.3Very low27.3Very low110 Ų110112 Ų11258%0.57671%0.707SS**  37.5127.792.9-97.380.2000113.4
383E27.3Very low27.3Very low140 Ų140116.4 Ų116.465%0.65472%0.715SS**  cis-134.9174.122.6-61.6163.4149.300110.4K264K264-E383 IonicContact NZ-OE1 2.71Å; K264-E383 PolarHBondContact NZ-OE1 3.33Å; K264-E383 IonicContact NZ-OE2 3.85Å; K264-E383 PolarHBondContact NZ-OE2 3.22Å
384G27.7Very low27.5Very low77 Ų77116.4 Ų116.479%0.79471%0.711SS**  cis117.6105.7400000112.5
385S28.4Very low27.6Very low119 Ų119121.3 Ų121.383%0.83273%0.733SS**  trans-153.2141.2165-169.10000110.4
386I27.7Very low27.6Very low113 Ų113122.4 Ų122.458%0.57975%0.753SS**  trans-128.8132.1-176.6-68.9166.8000108.2
387T30.3Very low27.4Very low131 Ų131122.6 Ų122.680%0.80477%0.77SS**  trans-144.4110.6164.949.50000110.2
388S25.1Very low27.5Very low100 Ų100119.6 Ų119.670%0.69978%0.775SS**  trans-65.6161.7157.1-48.60000109.7
389P29.4Very low27.6Very low106 Ų106121.1 Ų121.169%0.68877%0.774SS**  -142.8149103.536.6-23.9000114.6
390W24.4Very low27.7Very low263 Ų263122.1 Ų122.1100%0.99677%0.77SS**  trans-112.561.7161.5-71.512.6000109.1
391A26.2Very low27.8Very low81 Ų81124.4 Ų124.467%0.66977%0.765SS**  trans-171.5119.1169.100000109.9
392S31.8Very low27.9Very low120 Ų120127.8 Ų127.884%0.83977%0.769SS**  trans-18090.2154.1-98.80000107.6
393D25.6Very low27.9Very low155 Ų155126.2 Ų126.283%0.82977%0.772SS**  trans-90.1101.5164.3176.425.1000107.6
394E32.2Very low28Very low182 Ų182125.8 Ų125.885%0.8578%0.784SS**  trans-137.5138.4168.9-73.3-163.317100110.7
395T27.5Very low28.1Very low143 Ų143125.5 Ų125.588%0.87778%0.781SS**  trans-106.5138.2-171.629.30000112
396G26.4Very low28.2Very low79 Ų79126.3 Ų126.381%0.81478%0.781SS**  trans173.774-178.400000113
397A25.1Very low28.2Very low106 Ų106127 Ų12788%0.87679%0.793SS**  87.177.46900000114.9
398A27.5Very low28.2Very low100 Ų100127.1 Ų127.183%0.82680%0.798SS**  trans-174.6136155.400000109.3
399N28.2Very low28.2Very low145 Ų145125.8 Ų125.878%0.77579%0.792SS**  cis-155.8115.3-8.4-161.818.6000111.8
400V28.3Very low28.1Very low113 Ų113124.5 Ų124.569%0.68579%0.791SS**  trans61.8139.9142166.30000122.5
401N30.1Very low28Very low124 Ų124124.8 Ų124.866%0.66379%0.792SS**  trans77.6112.2169.5-66.1-20.6000118
402Q28.1Very low28.1Very low177 Ų177126.3 Ų126.383%0.82779%0.794SS**  82130.262.5-76.1-170.89000113.2
403A28.5Very low28Very low77 Ų77128.5 Ų128.564%0.63679%0.79SS**  cis-164.2162.2-5.900000113.7
404S29.3Very low28Very low130 Ų130129 Ų12991%0.90979%0.793SS**  trans68.6154.7166.478.50000118.7
405G29.3Very low27.8Very low71 Ų71127.4 Ų127.473%0.73279%0.785SS**  trans165.7-23.4171.500000121.5
406V32.1Very low27.8Very low136 Ų136127.1 Ų127.182%0.82479%0.788SS**  trans47.3117174.4-172.80000118.3
407P26.5Very low27.9Very low128 Ų128127.8 Ų127.883%0.83179%0.786SS**  trans-76.4147175.133.4-35.2000112.7
408C29.6Very low28.1Very low134 Ų134128.6 Ų128.691%0.90579%0.785SS**  trans-116.6142.8173.6-165.50000111.4
409A25.2Very low28.4Very low71 Ų71129.6 Ų129.659%0.58778%0.781SS**  trans-102.5136.6-179.900000111.5P485A409-P485 HydrophobicContact CB-CB 4.13Å
410A27.1Very low28.4Very low80 Ų80128.9 Ų128.966%0.66178%0.784SS**  trans-149100.6169.600000110.9
411W24.2Very low28.5Very low268 Ų268128.5 Ų128.5100%1.01579%0.786SS**  trans-109.962.9162-100.159.9000108.5
412T27.2Very low28.5Very low114 Ų114128 Ų12870%0.69979%0.793SS**  trans-148.1100.8-177.849.10000110.6
413E30.1Very low28.7Very low166 Ų166129.5 Ų129.578%0.77679%0.791SS**  trans-158.1115.9149.5-119.9179.1-158.800112.3H415E413-H415 PolarHBondContact O-N 3Å; E413-H415 IonicContact OE2-CD2 3.24Å
414N25.9Very low28.8Very low164 Ų164134.4 Ų134.488%0.87780%0.8SS**  trans-91.472.2176.7-89-39.7000110.5
415H28.4Very low28.8Very low149 Ų149134.9 Ų134.969%0.6979%0.792SS**  trans-127.276.9-177.7-71.8-36.2000114.7E413E413-H415 PolarHBondContact O-N 3Å; E413-H415 IonicContact OE2-CD2 3.24Å
416C27.1Very low29.2Very low138 Ų138136.1 Ų136.193%0.93279%0.79SS**  trans-146.550.1159.1-126.40000112
417A27.3Very low29.4Very low93 Ų93136.1 Ų136.177%0.76978%0.784SS**  trans-121.265.1178.700000111.4
418S30.9Very low29.8Very low123 Ų123135.9 Ų135.986%0.8678%0.776SS**  trans-104.687.1172.5-58.60000109.6
419T33.6Very low30.1Very low121 Ų121139.5 Ų139.574%0.74277%0.77SS**  trans-68.6147.1175.942.60000111.6
420P27Very low30.5Very low130 Ų130147 Ų14784%0.84478%0.783SS**  trans-70.4134.9167.930.9-33.4000109.5
421S30.4Very low30.7Very low105 Ų105148.4 Ų148.473%0.73479%0.788SS**  trans-148110.4169-160.10000111
422S29.9Very low31.5Very low114 Ų114141.8 Ų141.880%0.79778%0.777SS**  trans-82.7145.4164.447.30000109.8
423R32.9Very low32Very low208 Ų208143.3 Ų143.379%0.78578%0.781SS**  trans-134.1138.2161.6-78.3-166.8169.9-171.9-3.3110.5
424H31Very low32.3Very low180 Ų180140.2 Ų140.283%0.83378%0.778SS**  trans-71.1143.3172.8-90.6-130.7000111.1
425D30.2Very low32.8Very low139 Ų139139.2 Ų139.274%0.74377%0.773SS**  -170147.8102-105-46.9000108
426S37.6Very low33.1Very low97 Ų97135.8 Ų135.868%0.67877%0.77SS**  cis-159.5141.449.7-57.20000113.8
427I35.5Very low33.6Very low137 Ų137135.6 Ų135.670%0.70376%0.764SS**  trans45.6102.4135.4-45.3165.8000119.1
428N34.2Very low33.9Very low123 Ų123136.3 Ų136.366%0.65876%0.761SS**  -178.2134.2113.1-103.6-76.7000115.6
429R35.7Very low34Very low209 Ų209135.4 Ų135.479%0.78976%0.755SS**  trans7293.9143-68.5165.8-163.7-136.5-1.9122.9
430R35.4Very low33.7Very low228 Ų228136.4 Ų136.486%0.8676%0.756SS**  72.5121.1117.9-69.7-176.4-174.9-161.2-0.3121.8
431S31.4Very low34.1Very low110 Ų110137.7 Ų137.777%0.76976%0.755SS**  trans67.9150.4142.1-56.70000117.3
432V41.2Very low34.4Very low130 Ų130139.7 Ų139.779%0.78876%0.763SS**  cis-134164.320.6-149.50000111.9
433D36Very low34.5Very low145 Ų145142.9 Ų142.978%0.77576%0.763SS**  trans-54159.9173.6-37.7-99.1000112.9
434S36.8Very low34.2Very low102 Ų102137.7 Ų137.771%0.71376%0.764SS**  cis-153.7-159.92.4-152.40000107.7
435D37Very low34.2Very low143 Ų143133.4 Ų133.477%0.76575%0.754SS**  cis-159-156.47.9-148.1-89.1000111.5
436A34Very low34.2Very low77 Ų77132.1 Ų132.164%0.63676%0.756SS**  trans-65.3164.2171.100000113.8
437V37Very low34Very low133 Ų133133.5 Ų133.581%0.80676%0.763SS**  cis-147.7150.936.5173.40000110.5
438P35.2Very low33.8Very low109 Ų109131.4 Ų131.471%0.70877%0.766SS**  trans-96.7165.6-176.238.1-36.5000115.9
439S31.5Very low33.5Very low104 Ų104132.8 Ų132.873%0.72778%0.779SS**  trans68.1142.4170.1-79.60000117
440D28.6Very low33.2Very low142 Ų142127.3 Ų127.376%0.75977%0.773SS**  cis-144.5136.9-8-82.1-43.5000108.8
441D34.2Very low33.2Very low156 Ų156123.5 Ų123.583%0.83477%0.769SS**  trans-167.4106.4158.8-117.1-31.3000111.4F443D441-F443 PolarHBondContact O-N 3.23Å
442V36.8Very low33.5Very low147 Ų147122.2 Ų122.289%0.89177%0.766SS**  trans-90101.1177.51780000109.5A444V442-A444 PolarHBondContact O-N 2.85Å
443F31.7Very low33.7Very low182 Ų182120.1 Ų120.180%0.79876%0.756SS**  trans-55.9108.5-177.8-116.6-103000113D441 S445D441-F443 PolarHBondContact O-N 3.23Å; F443-S445 PolarHBondContact O-N 3.44Å
444A27.6Very low34Very low98 Ų98115 Ų11581%0.8174%0.738SS**  trans-75.4112.7167.400000109.6V442V442-A444 PolarHBondContact O-N 2.85Å
445S29.8Very low34.8Very low90 Ų90113.5 Ų113.563%0.62973%0.728SS**  trans-155.2128.6173.8-78.70000113F443F443-S445 PolarHBondContact O-N 3.44Å
446S30.6Very low35.6Very low112 Ų112111.5 Ų111.578%0.78372%0.716SS**  trans63.999.3160.3-57.30000119.1A448S446-A448 PolarHBondContact O-N 3.37Å
447P33.4Very low37Very low126 Ų126112.5 Ų112.582%0.81871%0.714SS**  trans-70.4120.6159.530-32.4000110.5
448A31.1Very low38.1Very low93 Ų93115 Ų11577%0.76971%0.709SS**  trans-74.9141.7-177.400000113S446 S450S446-A448 PolarHBondContact O-N 3.37Å; A448-S450 PolarHBondContact O-N 3.47Å; A448-S450 VanDerWaalsContact O-N 3.14Å
449V29.5Very low39.7Very low152 Ų152113.9 Ų113.992%0.92170%0.7SS**  trans-86.880.5-172-173.30000111.8
450S28.8Very low41.4Very low95 Ų95112.8 Ų112.866%0.66469%0.686SS**  trans-16894.2172.851.70000115A448A448-S450 PolarHBondContact O-N 3.47Å; A448-S450 VanDerWaalsContact O-N 3.14Å
451N35.6Very low43.3Very low147 Ų147108.3 Ų108.379%0.78667%0.669SS**  trans163.575.5140.9-88.8-26.2000113.1
452A37Very low44.9Very low84 Ų84106.1 Ų106.169%0.69466%0.657SS**SBendtrans-75-49.117100000112.4G454 S455 L456A452-G454 VanDerWaalsContact C-N 3.34Å; A452-G454 PolarHBondContact O-N 2.91Å; A452-S455 VanDerWaalsContact O-CB 3.3Å; A452-S455 WeakPolarHBondContact O-CB 3.42Å; A452-S455 PolarHBondContact O-N 3.34Å; A452-L456 PolarHBondContact O-N 2.92Å
453S44.7Very low46.6Very low85 Ų85103.2 Ų103.259%0.59463%0.633SS**Hα-helixtrans-61.8-37.1-172.7-39.90000113.6S455 L456 V457S453-S455 PolarHBondContact O-N 3.01Å; S453-L456 PolarHBondContact O-N 2.86Å; S453-V457 PolarHBondContact O-N 3.01Å
454G42.4Very low48.7Very low37 Ų3797.9 Ų97.938%0.38162%0.616SS.*Hα-helixtrans-67.6-19.7176.700000114.1A452 R458A452-G454 VanDerWaalsContact C-N 3.34Å; A452-G454 PolarHBondContact O-N 2.91Å; G454-R458 WeakPolarHBondContact O-CD 3.28Å; G454-R458 VanDerWaalsContact O-CG 3.25Å; G454-R458 WeakPolarHBondContact O-CG 3.42Å
455S54Low50.9Low72 Ų7297.6 Ų97.650%0.50360%0.604SS.*Hα-helixtrans-75.2-50.4172.4-1690000110.7A452 S453 V457 R458 V459A452-S455 VanDerWaalsContact O-CB 3.3Å; A452-S455 WeakPolarHBondContact O-CB 3.42Å; A452-S455 PolarHBondContact O-N 3.34Å; S453-S455 PolarHBondContact O-N 3.01Å; S455-V457 PolarHBondContact O-N 3.05Å; S455-R458 WeakPolarHBondContact O-CB 3.46Å; S455-R458 PolarHBondContact O-N 3.32Å; S455-V459 WeakPolarHBondContact O-CG2 3.41Å; S455-V459 PolarHBondContact O-N 3.28Å
456L54.8Low53Low101 Ų10197.9 Ų97.953%0.52960%0.595SS.*Hα-helixtrans-64.5-39.4-175.4-165.4150.9000112.4A452 S453 R458 V459 L460A452-L456 PolarHBondContact O-N 2.92Å; S453-L456 PolarHBondContact O-N 2.86Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.16Å; L456-V459 PolarHBondContact O-N 3Å; L456-L460 HydrophobicContact CD2-CD1 3.67Å; L456-L460 HydrophobicContact CD2-CG 4.18Å; L456-L460 PolarHBondContact O-N 3.45Å
457V61.6Low55Low98 Ų9895.1 Ų95.159%0.59457%0.57SS**Hα-helixtrans-63.6-37.2173.6176.60000111.7S453 S455 A461S453-V457 PolarHBondContact O-N 3.01Å; S455-V457 PolarHBondContact O-N 3.05Å; V457-A461 VanDerWaalsContact O-CB 3.27Å; V457-A461 WeakPolarHBondContact O-CB 3.34Å; V457-A461 PolarHBondContact O-N 3.24Å
458R61.8Low57Low186 Ų18690.7 Ų90.770%0.70254%0.539SS*.Hα-helixtrans-69.5-37.3174.6-74175.3-178.9-167.9-0.2112.3G454 S455 L456 A461 N462G454-R458 WeakPolarHBondContact O-CD 3.28Å; G454-R458 VanDerWaalsContact O-CG 3.25Å; G454-R458 WeakPolarHBondContact O-CG 3.42Å; S455-R458 WeakPolarHBondContact O-CB 3.46Å; S455-R458 PolarHBondContact O-N 3.32Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 3.16Å; R458-A461 PolarHBondContact O-N 3.24Å; R458-N462 VanDerWaalsContact O-CB 3.28Å; R458-N462 WeakPolarHBondContact O-CB 3.21Å; R458-N462 PolarHBondContact O-N 2.95Å; R458-N462 PolarHBondContact O-OD1 3.05Å
459V67.5Low59Low85 Ų8588.9 Ų88.952%0.51552%0.524SS..Hα-helixtrans-62.6-47.6174.5172.20000110.7S455 L456 N462 Q463S455-V459 WeakPolarHBondContact O-CG2 3.41Å; S455-V459 PolarHBondContact O-N 3.28Å; L456-V459 PolarHBondContact O-N 3Å; V459-N462 PolarHBondContact O-N 3.25Å; V459-Q463 WeakPolarHBondContact O-CB 3.46Å; V459-Q463 PolarHBondContact O-N 3.28Å
460L67.1Low61.2Low80 Ų8083.9 Ų83.942%0.41949%0.494SS..Hα-helixtrans-63.6-42.9175.9-70.7175.1000112.4L456 Q463 V464L456-L460 HydrophobicContact CD2-CD1 3.67Å; L456-L460 HydrophobicContact CD2-CG 4.18Å; L456-L460 PolarHBondContact O-N 3.45Å; L460-Q463 PolarHBondContact O-N 3.06Å; L460-V464 WeakPolarHBondContact O-CG2 3.48Å; L460-V464 PolarHBondContact O-N 3.14Å
461A69Low63.2Low49 Ų4979.3 Ų79.341%0.40546%0.462SS..Hα-helixtrans-62.2-43.7176.400000111.7V457 R458 V464 V465V457-A461 VanDerWaalsContact O-CB 3.27Å; V457-A461 WeakPolarHBondContact O-CB 3.34Å; V457-A461 PolarHBondContact O-N 3.24Å; R458-A461 PolarHBondContact O-N 3.24Å; A461-V464 PolarHBondContact O-N 3.38Å; A461-V465 WeakPolarHBondContact O-CB 3.44Å; A461-V465 VanDerWaalsContact O-CG2 3.27Å; A461-V465 WeakPolarHBondContact O-CG2 3.18Å; A461-V465 PolarHBondContact O-N 3.14Å
462N68.7Low65.1Low109 Ų10974.4 Ų74.458%0.58344%0.437SS*.Hα-helixtrans-62.6-42.4175.2-71.4-3.3000111.4R458 V459 V464 V465 E466R458-N462 VanDerWaalsContact O-CB 3.28Å; R458-N462 WeakPolarHBondContact O-CB 3.21Å; R458-N462 PolarHBondContact O-N 2.95Å; R458-N462 PolarHBondContact O-OD1 3.05Å; V459-N462 PolarHBondContact O-N 3.25Å; N462-V464 PolarHBondContact O-N 3.21Å; N462-V465 PolarHBondContact O-N 2.75Å; N462-E466 VanDerWaalsContact O-CB 3.31Å; N462-E466 WeakPolarHBondContact O-CB 3.36Å; N462-E466 PolarHBondContact O-N 2.79Å
463Q72.9Confident66.8Low86 Ų8679.5 Ų79.540%0.40244%0.444SS..Hα-helixtrans-62.6-41.6177.3-172.617810.700112V459 L460 E466 Q467V459-Q463 WeakPolarHBondContact O-CB 3.46Å; V459-Q463 PolarHBondContact O-N 3.28Å; L460-Q463 PolarHBondContact O-N 3.06Å; Q463-E466 PolarHBondContact O-N 2.66Å; Q463-Q467 WeakPolarHBondContact O-CB 3.47Å; Q463-Q467 VanDerWaalsContact O-CG 3.29Å; Q463-Q467 WeakPolarHBondContact O-CG 3.41Å; Q463-Q467 PolarHBondContact O-N 3.07Å
464V75.1Confident68Low70 Ų7077.6 Ų77.642%0.42443%0.429SS..Hα-helixtrans-68.9-38.5175172.60000111.5L460 A461 N462 L468L460-V464 WeakPolarHBondContact O-CG2 3.48Å; L460-V464 PolarHBondContact O-N 3.14Å; A461-V464 PolarHBondContact O-N 3.38Å; N462-V464 PolarHBondContact O-N 3.21Å; V464-L468 HydrophobicContact CG1-CD1 4.23Å; V464-L468 WeakPolarHBondContact O-CB 3.35Å; V464-L468 VanDerWaalsContact O-CG 3.3Å; V464-L468 WeakPolarHBondContact O-CG 3.36Å; V464-L468 PolarHBondContact O-N 2.65Å
465V74Confident69.4Low93 Ų9377.6 Ų77.656%0.56443%0.428SS*.Hα-helixtrans-66.1-37.5174.6167.30000111.5A461 N462 L468 A469A461-V465 WeakPolarHBondContact O-CB 3.44Å; A461-V465 VanDerWaalsContact O-CG2 3.27Å; A461-V465 WeakPolarHBondContact O-CG2 3.18Å; A461-V465 PolarHBondContact O-N 3.14Å; N462-V465 PolarHBondContact O-N 2.75Å; V465-L468 PolarHBondContact O-N 3.48Å; V465-A469 WeakPolarHBondContact O-CB 3.44Å; V465-A469 PolarHBondContact O-N 2.98Å
466E72.4Confident70.1Confident96 Ų9674.8 Ų74.845%0.44941%0.407SS..Hα-helixtrans-69.4-44.3175.7-174.5164.4-148.500111.5W96 N462 Q463 L468 A469 V470W96-E466 HydrophobicContact CH2-CG 4.1Å; W96-E466 WeakPolarHBondContact CH2-OE2 3.49Å; W96-E466 HydrophobicContact CZ2-CG 4.25Å; N462-E466 VanDerWaalsContact O-CB 3.31Å; N462-E466 WeakPolarHBondContact O-CB 3.36Å; N462-E466 PolarHBondContact O-N 2.79Å; Q463-E466 PolarHBondContact O-N 2.66Å; E466-L468 VanDerWaalsContact C-N 3.34Å; E466-L468 PolarHBondContact O-N 2.88Å; E466-A469 WeakPolarHBondContact O-CB 3.46Å; E466-A469 PolarHBondContact O-N 3.17Å; E466-A469 VanDerWaalsContact O-N 3.14Å; E466-V470 WeakPolarHBondContact O-CG2 3.43Å; E466-V470 PolarHBondContact O-N 2.88Å
467Q73.2Confident70.8Confident54 Ų5470 Ų7025%0.25238%0.383SS..Hα-helixtrans-60.1-41.1171.7-75.4174.7-9.100112.2Q463 V470 A471 L498Q463-Q467 WeakPolarHBondContact O-CB 3.47Å; Q463-Q467 VanDerWaalsContact O-CG 3.29Å; Q463-Q467 WeakPolarHBondContact O-CG 3.41Å; Q463-Q467 PolarHBondContact O-N 3.07Å; Q467-V470 PolarHBondContact O-N 3.38Å; Q467-A471 VanDerWaalsContact O-CB 3.25Å; Q467-A471 WeakPolarHBondContact O-CB 3.26Å; Q467-A471 PolarHBondContact O-N 3.21Å; Q467-L498 HydrophobicContact CB-CD2 4.29Å
468L76Confident71.1Confident32 Ų3267.3 Ų67.317%0.16836%0.364CS..Hα-helixtrans-63.3-41.9172-79.8172.5000112.1V464 V465 E466 A471 V472 I477 L482 L494 L498V464-L468 HydrophobicContact CG1-CD1 4.23Å; V464-L468 WeakPolarHBondContact O-CB 3.35Å; V464-L468 VanDerWaalsContact O-CG 3.3Å; V464-L468 WeakPolarHBondContact O-CG 3.36Å; V464-L468 PolarHBondContact O-N 2.65Å; V465-L468 PolarHBondContact O-N 3.48Å; E466-L468 VanDerWaalsContact C-N 3.34Å; E466-L468 PolarHBondContact O-N 2.88Å; L468-A471 PolarHBondContact O-N 2.95Å; L468-V472 WeakPolarHBondContact O-CB 3.36Å; L468-V472 VanDerWaalsContact O-CG2 3.3Å; L468-V472 WeakPolarHBondContact O-CG2 3.33Å; L468-V472 PolarHBondContact O-N 3.48Å; L468-I477 HydrophobicContact CD2-CD1 3.79Å; L468-L482 HydrophobicContact CD1-CD2 4.45Å; L468-L482 HydrophobicContact CD2-CD2 4.13Å; L468-L494 HydrophobicContact CD2-CD1 4.48Å; L468-L494 HydrophobicContact CD2-CD2 4.13Å; L468-L498 HydrophobicContact CD2-CD1 4.2Å; L468-L498 HydrophobicContact CG-CD1 4.37Å
469A73.8Confident71.4Confident56 Ų5662.5 Ų62.546%0.46336%0.358SS..Hα-helixtrans-65-40.1177.400000111.9V465 E466 K473V465-A469 WeakPolarHBondContact O-CB 3.44Å; V465-A469 PolarHBondContact O-N 2.98Å; E466-A469 WeakPolarHBondContact O-CB 3.46Å; E466-A469 PolarHBondContact O-N 3.17Å; E466-A469 VanDerWaalsContact O-N 3.14Å; A469-K473 WeakPolarHBondContact O-CB 3.19Å; A469-K473 PolarHBondContact O-N 3.19Å
470V73.8Confident71.3Confident46 Ų4660.6 Ų60.628%0.27934%0.344SS..Hα-helixtrans-65.1-45.9172.4172.20000111E466 Q467 V472 K473 T474E466-V470 WeakPolarHBondContact O-CG2 3.43Å; E466-V470 PolarHBondContact O-N 2.88Å; Q467-V470 PolarHBondContact O-N 3.38Å; V470-V472 VanDerWaalsContact C-N 3.32Å; V470-V472 PolarHBondContact O-N 3.39Å; V470-K473 PolarHBondContact O-N 3.34Å; V470-T474 HydrophobicContact CG1-CG2 4.3Å; V470-T474 WeakPolarHBondContact O-CB 3.43Å; V470-T474 WeakPolarHBondContact O-CG2 3.42Å; V470-T474 PolarHBondContact O-N 3.47Å; V470-T474 PolarHBondContact O-OG1 3.47Å
471A71.2Confident71.2Confident0 Ų057 Ų570%033%0.325CS..Hα-helixtrans-65.3-31.3178.300000113.2Q467 L468 T474 L476 I477 L498 I501Q467-A471 VanDerWaalsContact O-CB 3.25Å; Q467-A471 WeakPolarHBondContact O-CB 3.26Å; Q467-A471 PolarHBondContact O-N 3.21Å; L468-A471 PolarHBondContact O-N 2.95Å; A471-T474 WeakPolarHBondContact CA-OG1 3.36Å; A471-T474 PolarHBondContact O-OG1 2.89Å; A471-L476 WeakPolarHBondContact O-CA 3.47Å; A471-L476 WeakPolarHBondContact O-CB 3.38Å; A471-L476 PolarHBondContact O-N 2.86Å; A471-I477 HydrophobicContact CB-CB 4.41Å; A471-I477 HydrophobicContact CB-CD1 3.63Å; A471-I477 HydrophobicContact CB-CG1 3.91Å; A471-I477 PolarHBondContact O-N 2.92Å; A471-L498 HydrophobicContact CB-CD2 3.91Å; A471-I501 HydrophobicContact CB-CD1 3.96Å
472V76Confident71.1Confident43 Ų4359 Ų5926%0.26133%0.328SS..Hα-helixtrans-74.9-43.6170.7171.40000111.5L468 V470 T474 G475 I477 L482L468-V472 WeakPolarHBondContact O-CB 3.36Å; L468-V472 VanDerWaalsContact O-CG2 3.3Å; L468-V472 WeakPolarHBondContact O-CG2 3.33Å; L468-V472 PolarHBondContact O-N 3.48Å; V470-V472 VanDerWaalsContact C-N 3.32Å; V470-V472 PolarHBondContact O-N 3.39Å; V472-T474 VanDerWaalsContact C-N 3.32Å; V472-T474 PolarHBondContact O-N 2.95Å; V472-G475 PolarHBondContact O-N 3.37Å; V472-I477 WeakPolarHBondContact CA-O 3.3Å; V472-I477 HydrophobicContact CG2-CB 3.99Å; V472-I477 HydrophobicContact CG2-CG2 3.91Å; V472-L482 HydrophobicContact CG2-CD1 3.97Å
473K73.6Confident70.8Confident192 Ų19257.2 Ų57.284%0.83532%0.324SS*.Hα-helixtrans-65.2-32.1179.6-175.6-179177.3-1730113.2A469 V470 G475A469-K473 WeakPolarHBondContact O-CB 3.19Å; A469-K473 PolarHBondContact O-N 3.19Å; V470-K473 PolarHBondContact O-N 3.34Å; K473-G475 VanDerWaalsContact C-N 3.27Å
474T68.6Low70.4Confident45 Ų4555.9 Ų55.928%0.27632%0.318SS..THydrogen-bonded Turntrans-82.1-0.7173.450.40000113.2V470 A471 V472 L476 W655V470-T474 HydrophobicContact CG1-CG2 4.3Å; V470-T474 WeakPolarHBondContact O-CB 3.43Å; V470-T474 WeakPolarHBondContact O-CG2 3.42Å; V470-T474 PolarHBondContact O-N 3.47Å; V470-T474 PolarHBondContact O-OG1 3.47Å; A471-T474 WeakPolarHBondContact CA-OG1 3.36Å; A471-T474 PolarHBondContact O-OG1 2.89Å; V472-T474 VanDerWaalsContact C-N 3.32Å; V472-T474 PolarHBondContact O-N 2.95Å; T474-L476 PolarHBondContact O-N 3.37Å; T474-W655 HydrophobicContact CG2-CH2 4.43Å
475G73Confident70.1Confident36 Ų3657.6 Ų57.637%0.37133%0.331SS..THydrogen-bonded Turntrans66.622.6-179.200000114.1V472 K473 K549V472-G475 PolarHBondContact O-N 3.37Å; K473-G475 VanDerWaalsContact C-N 3.27Å; G475-K549 WeakPolarHBondContact O-CE 3.46Å; G475-K549 PolarHBondContact O-NZ 3.49Å
476L67.2Low70.2Confident13 Ų1354.5 Ų54.57%0.06831%0.311CS..SBendtrans-84.1-32.1174.9-62.5179.3000111.8A471 T474 I501 V545 K549 W655A471-L476 WeakPolarHBondContact O-CA 3.47Å; A471-L476 WeakPolarHBondContact O-CB 3.38Å; A471-L476 PolarHBondContact O-N 2.86Å; T474-L476 PolarHBondContact O-N 3.37Å; L476-I501 HydrophobicContact CB-CD1 4.31Å; L476-I501 HydrophobicContact CD1-CD1 3.53Å; L476-I501 HydrophobicContact CD1-CG1 3.69Å; L476-V545 HydrophobicContact CD1-CG1 4.26Å; L476-V545 HydrophobicContact CD2-CG1 3.73Å; L476-K549 HydrophobicContact CD2-CD 4.34Å; L476-W655 HydrophobicContact CD2-CZ2 4.36Å
477I70.6Confident70.5Confident2 Ų252.4 Ų52.41%0.0131%0.306CS..SBendtrans-117.2124.2171.1-63179000107.9L468 A471 V472 L481 L494 L497 L498L468-I477 HydrophobicContact CD2-CD1 3.79Å; A471-I477 HydrophobicContact CB-CB 4.41Å; A471-I477 HydrophobicContact CB-CD1 3.63Å; A471-I477 HydrophobicContact CB-CG1 3.91Å; A471-I477 PolarHBondContact O-N 2.92Å; V472-I477 WeakPolarHBondContact CA-O 3.3Å; V472-I477 HydrophobicContact CG2-CB 3.99Å; V472-I477 HydrophobicContact CG2-CG2 3.91Å; I477-L481 HydrophobicContact CG2-CB 4.28Å; I477-L481 HydrophobicContact CG2-CD1 3.79Å; I477-L494 HydrophobicContact CD1-CD1 4Å; I477-L494 HydrophobicContact CD1-CG 3.99Å; I477-L497 HydrophobicContact CD1-CD2 4.41Å; I477-L497 HydrophobicContact CG1-CD2 3.86Å; I477-L498 HydrophobicContact CD1-CD2 4.24Å
478E68.3Low70.7Confident41 Ų4155.2 Ų55.219%0.19233%0.329CS..  trans-72.5134.3171.5-71.2-170.9-12300111.1H480 L481 N553 R560 R649E478-H480 WeakPolarHBondContact CB-ND1 3.42Å; E478-H480 PolarHBondContact O-N 2.75Å; E478-H480 IonicContact OE1-CE1 3.51Å; E478-H480 IonicContact OE2-CE1 3.99Å; E478-H480 PolarHBondContact OE2-CE1 3.32Å; E478-H480 VanDerWaalsContact OE2-CE1 3.25Å; E478-H480 IonicContact OE2-ND1 3.53Å; E478-H480 PolarHBondContact OE2-ND1 2.85Å; E478-L481 HydrophobicContact CB-CD1 4.24Å; E478-L481 HydrophobicContact CB-CG 4.24Å; E478-L481 WeakPolarHBondContact O-CB 3.44Å; E478-L481 WeakPolarHBondContact O-CG 3.49Å; E478-L481 PolarHBondContact O-N 2.93Å; E478-N553 PolarHBondContact OE1-OD1 2.9Å; E478-R560 IonicContact OE1-CZ 3.24Å; E478-R560 VanDerWaalsContact OE1-CZ 3.24Å; E478-R560 IonicContact OE1-NH1 2.67Å; E478-R560 PolarHBondContact OE1-NH1 2.85Å; E478-R560 IonicContact OE1-NH2 3.01Å; E478-R560 PolarHBondContact OE1-NH2 2.79Å; E478-R560 IonicContact OE2-CZ 3.95Å; E478-R560 IonicContact OE2-NH1 3.37Å; E478-R560 PolarHBondContact OE2-NH1 2.85Å; E478-R649 IonicContact OE2-NH1 3.87Å
479S68Low71Confident84 Ų8457.7 Ų57.759%0.58734%0.339SS*.G310 helixtrans-56.6-28.4-175.555.50000114.6L481 L482S479-L481 PolarHBondContact O-N 2.91Å; S479-L482 PolarHBondContact O-N 3.47Å
480H65.9Low71.3Confident46 Ų4655 Ų5521%0.21332%0.317CS..G310 helixtrans-64.3-22.6177.178.1-92.6000113.3E478 L482 S483 R560E478-H480 WeakPolarHBondContact CB-ND1 3.42Å; E478-H480 PolarHBondContact O-N 2.75Å; E478-H480 IonicContact OE1-CE1 3.51Å; E478-H480 IonicContact OE2-CE1 3.99Å; E478-H480 PolarHBondContact OE2-CE1 3.32Å; E478-H480 VanDerWaalsContact OE2-CE1 3.25Å; E478-H480 IonicContact OE2-ND1 3.53Å; E478-H480 PolarHBondContact OE2-ND1 2.85Å; H480-L482 VanDerWaalsContact C-N 3.25Å; H480-L482 PolarHBondContact O-N 3.02Å; H480-S483 WeakPolarHBondContact O-CB 3.43Å; H480-S483 PolarHBondContact O-N 3.45Å; H480-S483 VanDerWaalsContact O-N 3.14Å; H480-S483 PolarHBondContact O-OG 3.06Å; H480-R560 PolarHBondContact CE1-NH2 3.37Å; H480-R560 VanDerWaalsContact CE1-NH2 3.32Å; H480-R560 PolarHBondContact NE2-NE 2.8Å
481L64.2Low71.6Confident3 Ų357.1 Ų57.12%0.01633%0.327CS..G310 helixtrans-64.6-30.9178.8-60.2174.1000112I477 E478 S479 S483 L486 I552 T556I477-L481 HydrophobicContact CG2-CB 4.28Å; I477-L481 HydrophobicContact CG2-CD1 3.79Å; E478-L481 HydrophobicContact CB-CD1 4.24Å; E478-L481 HydrophobicContact CB-CG 4.24Å; E478-L481 WeakPolarHBondContact O-CB 3.44Å; E478-L481 WeakPolarHBondContact O-CG 3.49Å; E478-L481 PolarHBondContact O-N 2.93Å; S479-L481 PolarHBondContact O-N 2.91Å; L481-S483 VanDerWaalsContact C-N 3.26Å; L481-S483 PolarHBondContact O-N 3.4Å; L481-L486 HydrophobicContact CB-CD2 4.39Å; L481-L486 HydrophobicContact CD2-CD2 4.5Å; L481-L486 WeakPolarHBondContact O-CD2 3.4Å; L481-L486 WeakPolarHBondContact O-CG 3.41Å; L481-I552 HydrophobicContact CD1-CG2 3.61Å; L481-I552 HydrophobicContact CD2-CG2 4.41Å; L481-T556 HydrophobicContact CD2-CG2 3.19Å
482L66.2Low72.3Confident91 Ų9163.5 Ų63.548%0.47636%0.355SS..G310 helixtrans-80.5-6178-56.5179.4000113.1L468 V472 S479 H480L468-L482 HydrophobicContact CD1-CD2 4.45Å; L468-L482 HydrophobicContact CD2-CD2 4.13Å; V472-L482 HydrophobicContact CG2-CD1 3.97Å; S479-L482 PolarHBondContact O-N 3.47Å; H480-L482 VanDerWaalsContact C-N 3.25Å; H480-L482 PolarHBondContact O-N 3.02Å
483S62.6Low72.8Confident72 Ų7263.2 Ų63.250%0.50335%0.35SS..G310 helixtrans-942-176.874.70000114.7H480 L481H480-S483 WeakPolarHBondContact O-CB 3.43Å; H480-S483 PolarHBondContact O-N 3.45Å; H480-S483 VanDerWaalsContact O-N 3.14Å; H480-S483 PolarHBondContact O-OG 3.06Å; L481-S483 VanDerWaalsContact C-N 3.26Å; L481-S483 PolarHBondContact O-N 3.4Å
484Q64Low73.5Confident59 Ų5954.9 Ų54.928%0.27631%0.314SS..SBendtrans-143.8153.8-174.6-65.4-169.957.100111.4L486 I559Q484-L486 PolarHBondContact O-N 3.26Å; Q484-I559 VanDerWaalsContact NE2-CG2 3.27Å; Q484-I559 VanDerWaalsContact OE1-CG2 3.25Å
485P68.5Low74.4Confident106 Ų10656.9 Ų56.969%0.68832%0.323SS*.  trans-64.7107.9172.127-33.8000110.1A409A409-P485 HydrophobicContact CB-CB 4.13Å
486L76.7Confident75.1Confident27 Ų2759.2 Ų59.214%0.14132%0.324CS..  trans-73.8140.7179.4-68.2172.5000111.1L481 Q484 T490 L491 L494L481-L486 HydrophobicContact CB-CD2 4.39Å; L481-L486 HydrophobicContact CD2-CD2 4.5Å; L481-L486 WeakPolarHBondContact O-CD2 3.4Å; L481-L486 WeakPolarHBondContact O-CG 3.41Å; Q484-L486 PolarHBondContact O-N 3.26Å; L486-T490 HydrophobicContact CD2-CG2 4.05Å; L486-L491 HydrophobicContact CB-CD2 3.84Å; L486-L491 HydrophobicContact CB-CG 3.84Å; L486-L491 HydrophobicContact CD1-CD2 3.92Å; L486-L491 HydrophobicContact CG-CD2 4.5Å; L486-L494 HydrophobicContact CD1-CD1 4.04Å
487P78.1Confident76.3Confident53 Ų5358.6 Ų58.634%0.34432%0.321SS..  trans-57.5148.5171.8-24.833.9000112.2E489 T490 L491P487-E489 PolarHBondContact O-N 3.42Å; P487-E489 VanDerWaalsContact O-N 3.17Å; P487-T490 WeakPolarHBondContact O-CA 3.5Å; P487-T490 WeakPolarHBondContact O-CB 3.44Å; P487-T490 PolarHBondContact O-N 3.33Å; P487-L491 PolarHBondContact O-N 3.47Å
488P77.7Confident77.1Confident113 Ų11359.2 Ų59.273%0.73432%0.324SS*.Hα-helixtrans-54.1-37.5179.2-28.335.8000114T490 L491 F492P488-T490 VanDerWaalsContact C-N 3.34Å; P488-T490 PolarHBondContact O-N 3.25Å; P488-L491 PolarHBondContact O-N 3.15Å; P488-F492 WeakPolarHBondContact O-CB 3.35Å; P488-F492 PolarHBondContact O-N 2.95Å
489E82.2Confident78.2Confident83 Ų8362.5 Ų62.539%0.38834%0.34SS..Hα-helixtrans-64.6-36.8174.9-163.8-154.6142.400112.4P487 K493 H555P487-E489 PolarHBondContact O-N 3.42Å; P487-E489 VanDerWaalsContact O-N 3.17Å; E489-K493 HydrophobicContact CG-CD 4.49Å; E489-K493 WeakPolarHBondContact O-CB 3.48Å; E489-K493 WeakPolarHBondContact O-CG 3.49Å; E489-K493 PolarHBondContact O-N 2.97Å; E489-K493 WeakPolarHBondContact OE1-CE 3.36Å; E489-K493 IonicContact OE1-NZ 3.25Å; E489-K493 PolarHBondContact OE1-NZ 3.36Å; E489-H555 IonicContact OE1-CD2 3.74Å; E489-H555 IonicContact OE1-CE1 3.66Å; E489-H555 CovalentContact OE1-NE2 1.77Å; E489-H555 IonicContact OE1-NE2 1.77Å; E489-H555 PolarHBondContact OE1-NE2 3.37Å; E489-H555 IonicContact OE2-CE1 2.77Å; E489-H555 PolarHBondContact OE2-CE1 2.9Å; E489-H555 IonicContact OE2-NE2 2.63Å; E489-H555 PolarHBondContact OE2-NE2 2.86Å
490T80.6Confident79.2Confident1 Ų159 Ų591%0.00632%0.315CS..Hα-helixtrans-73.7-36.4176.5-52.10000111L486 P487 P488 K493 L494 I552L486-T490 HydrophobicContact CD2-CG2 4.05Å; P487-T490 WeakPolarHBondContact O-CA 3.5Å; P487-T490 WeakPolarHBondContact O-CB 3.44Å; P487-T490 PolarHBondContact O-N 3.33Å; P488-T490 VanDerWaalsContact C-N 3.34Å; P488-T490 PolarHBondContact O-N 3.25Å; T490-K493 PolarHBondContact O-N 3.12Å; T490-L494 WeakPolarHBondContact O-CB 3.36Å; T490-L494 PolarHBondContact O-N 2.99Å; T490-I552 HydrophobicContact CG2-CG1 4.48Å; T490-I552 HydrophobicContact CG2-CG2 4.17Å
491L80.3Confident80.3Confident90 Ų9057.4 Ų57.447%0.47131%0.308SS..Hα-helixtrans-63.8-41171.5-70.9171.4000111.9L486 P487 P488 L494 N495L486-L491 HydrophobicContact CB-CD2 3.84Å; L486-L491 HydrophobicContact CB-CG 3.84Å; L486-L491 HydrophobicContact CD1-CD2 3.92Å; L486-L491 HydrophobicContact CG-CD2 4.5Å; P487-L491 PolarHBondContact O-N 3.47Å; P488-L491 PolarHBondContact O-N 3.15Å; L491-L494 PolarHBondContact O-N 3.47Å; L491-N495 WeakPolarHBondContact O-CB 3.43Å; L491-N495 PolarHBondContact O-N 2.9Å
492F86Confident81.5Confident134 Ų13459.8 Ų59.859%0.58832%0.323SS*.Hα-helixtrans-62.5-49.7174.2-179.1-92.9000111.4P488 L494 N495 Q496P488-F492 WeakPolarHBondContact O-CB 3.35Å; P488-F492 PolarHBondContact O-N 2.95Å; F492-L494 VanDerWaalsContact C-N 3.29Å; F492-L494 PolarHBondContact O-N 2.81Å; F492-N495 PolarHBondContact O-N 3.4Å; F492-N495 VanDerWaalsContact O-N 3.15Å; F492-Q496 WeakPolarHBondContact O-CB 3.25Å; F492-Q496 PolarHBondContact O-N 2.91Å
493K87.4Confident82.7Confident36 Ų3661.2 Ų61.216%0.15733%0.325CS..Hα-helixtrans-62.8-33.8176.8-74.7172.7170.6176.70112.7E489 T490 L497 H551 I552 H555E489-K493 HydrophobicContact CG-CD 4.49Å; E489-K493 WeakPolarHBondContact O-CB 3.48Å; E489-K493 WeakPolarHBondContact O-CG 3.49Å; E489-K493 PolarHBondContact O-N 2.97Å; E489-K493 WeakPolarHBondContact OE1-CE 3.36Å; E489-K493 IonicContact OE1-NZ 3.25Å; E489-K493 PolarHBondContact OE1-NZ 3.36Å; T490-K493 PolarHBondContact O-N 3.12Å; K493-L497 WeakPolarHBondContact O-CB 3.44Å; K493-L497 PolarHBondContact O-N 2.89Å; K493-H551 HydrophobicContact CD-CB 4.03Å; K493-I552 HydrophobicContact CB-CD1 4.37Å; K493-I552 HydrophobicContact CB-CG1 4.03Å; K493-H555 PolarHBondContact NZ-NE2 2.9Å
494L87.4Confident84.1Confident18 Ų1858.4 Ų58.49%0.09431%0.305CS..Hα-helixtrans-68.6-41.9172.8-179.5153.8000111.6L468 I477 L486 T490 L491 F492 L497 L498 I552L468-L494 HydrophobicContact CD2-CD1 4.48Å; L468-L494 HydrophobicContact CD2-CD2 4.13Å; I477-L494 HydrophobicContact CD1-CD1 4Å; I477-L494 HydrophobicContact CD1-CG 3.99Å; L486-L494 HydrophobicContact CD1-CD1 4.04Å; T490-L494 WeakPolarHBondContact O-CB 3.36Å; T490-L494 PolarHBondContact O-N 2.99Å; L491-L494 PolarHBondContact O-N 3.47Å; F492-L494 VanDerWaalsContact C-N 3.29Å; F492-L494 PolarHBondContact O-N 2.81Å; L494-L497 WeakPolarHBondContact O-CB 3.34Å; L494-L497 PolarHBondContact O-N 2.95Å; L494-L498 HydrophobicContact CD2-CD1 3.87Å; L494-L498 HydrophobicContact CD2-CG 4.31Å; L494-L498 WeakPolarHBondContact O-CG 3.4Å; L494-L498 PolarHBondContact O-N 3.23Å; L494-I552 HydrophobicContact CB-CD1 4.38Å
495N87Confident85.4Confident86 Ų8660.3 Ų60.346%0.4631%0.313SS..Hα-helixtrans-63.2-44174.7-167-76000111.1L491 F492 L497 L498 Q499L491-N495 WeakPolarHBondContact O-CB 3.43Å; L491-N495 PolarHBondContact O-N 2.9Å; F492-N495 PolarHBondContact O-N 3.4Å; F492-N495 VanDerWaalsContact O-N 3.15Å; N495-L497 VanDerWaalsContact C-N 3.3Å; N495-L497 PolarHBondContact O-N 3.37Å; N495-L498 PolarHBondContact O-N 3.15Å; N495-Q499 WeakPolarHBondContact O-CG 3.38Å; N495-Q499 PolarHBondContact O-N 3.37Å; N495-Q499 PolarHBondContact OD1-NE2 2.67Å
496Q89.2Confident86.5Confident85 Ų8560.7 Ų60.740%0.39731%0.306SS..Hα-helixtrans-60.5-37.7173.8-165.9179.411.100112.1F492 C500 L548F492-Q496 WeakPolarHBondContact O-CB 3.25Å; F492-Q496 PolarHBondContact O-N 2.91Å; Q496-C500 VanDerWaalsContact O-CB 3.28Å; Q496-C500 WeakPolarHBondContact O-CB 3.3Å; Q496-C500 PolarHBondContact O-N 3.22Å; Q496-L548 HydrophobicContact CB-CD1 4.32Å; Q496-L548 HydrophobicContact CB-CD2 4.39Å; Q496-L548 HydrophobicContact CG-CD1 3.98Å; Q496-L548 HydrophobicContact CG-CD2 4.25Å
497L90.7Very high87.2Confident0 Ų059.6 Ų59.60%030%0.301CS..Hα-helixtrans-64.2-46.7173.6175.162.4000111.5I477 K493 L494 N495 Q499 C500 I501 V545 L548 I552I477-L497 HydrophobicContact CD1-CD2 4.41Å; I477-L497 HydrophobicContact CG1-CD2 3.86Å; K493-L497 WeakPolarHBondContact O-CB 3.44Å; K493-L497 PolarHBondContact O-N 2.89Å; L494-L497 WeakPolarHBondContact O-CB 3.34Å; L494-L497 PolarHBondContact O-N 2.95Å; N495-L497 VanDerWaalsContact C-N 3.3Å; N495-L497 PolarHBondContact O-N 3.37Å; L497-Q499 PolarHBondContact O-N 2.84Å; L497-C500 PolarHBondContact O-N 3.29Å; L497-C500 VanDerWaalsContact O-N 3.08Å; L497-I501 HydrophobicContact CD1-CD1 3.99Å; L497-I501 HydrophobicContact CD1-CG1 4.17Å; L497-I501 HydrophobicContact CG-CD1 3.88Å; L497-I501 VanDerWaalsContact O-CG1 3.29Å; L497-I501 WeakPolarHBondContact O-CG1 3.37Å; L497-I501 PolarHBondContact O-N 3.25Å; L497-V545 HydrophobicContact CD1-CB 4.33Å; L497-V545 HydrophobicContact CD1-CG1 3.95Å; L497-V545 HydrophobicContact CD1-CG2 4.22Å; L497-L548 HydrophobicContact CB-CB 4.32Å; L497-L548 HydrophobicContact CB-CD1 4.31Å; L497-L548 HydrophobicContact CD1-CB 4.31Å; L497-I552 HydrophobicContact CB-CD1 4.28Å; L497-I552 HydrophobicContact CD2-CD1 3.77Å
498L89Confident87.8Confident15 Ų1559.9 Ų59.98%0.07930%0.298CS..Hα-helixtrans-61.3-41.4176.8-66.1178.3000112Q467 L468 A471 I477 L494 N495 C500 I501 T502Q467-L498 HydrophobicContact CB-CD2 4.29Å; L468-L498 HydrophobicContact CD2-CD1 4.2Å; L468-L498 HydrophobicContact CG-CD1 4.37Å; A471-L498 HydrophobicContact CB-CD2 3.91Å; I477-L498 HydrophobicContact CD1-CD2 4.24Å; L494-L498 HydrophobicContact CD2-CD1 3.87Å; L494-L498 HydrophobicContact CD2-CG 4.31Å; L494-L498 WeakPolarHBondContact O-CG 3.4Å; L494-L498 PolarHBondContact O-N 3.23Å; N495-L498 PolarHBondContact O-N 3.15Å; L498-C500 VanDerWaalsContact C-N 3.29Å; L498-C500 PolarHBondContact O-N 3.23Å; L498-I501 HydrophobicContact CD2-CD1 4.49Å; L498-I501 PolarHBondContact O-N 2.69Å; L498-T502 PolarHBondContact O-N 3.41Å; L498-T502 PolarHBondContact O-OG1 2.89Å
499Q89.7Confident88.5Confident110 Ų11057.9 Ų57.951%0.51429%0.286SS..Hα-helixtrans-65.9-29.1173.2-68-176.23500113.4N495 L497 T502 K503N495-Q499 WeakPolarHBondContact O-CG 3.38Å; N495-Q499 PolarHBondContact O-N 3.37Å; N495-Q499 PolarHBondContact OD1-NE2 2.67Å; L497-Q499 PolarHBondContact O-N 2.84Å; Q499-T502 PolarHBondContact O-OG1 3.35Å; Q499-K503 WeakPolarHBondContact O-CG 3.42Å
500C90.5Very high88.9Confident11 Ų1157.1 Ų57.17%0.07428%0.283CS..Hα-helixtrans-79-34.4178-164.30000111.7Q496 L497 L498 L504 V545 L548Q496-C500 VanDerWaalsContact O-CB 3.28Å; Q496-C500 WeakPolarHBondContact O-CB 3.3Å; Q496-C500 PolarHBondContact O-N 3.22Å; L497-C500 PolarHBondContact O-N 3.29Å; L497-C500 VanDerWaalsContact O-N 3.08Å; L498-C500 VanDerWaalsContact C-N 3.29Å; L498-C500 PolarHBondContact O-N 3.23Å; C500-L504 WeakPolarHBondContact O-CB 3.16Å; C500-L504 PolarHBondContact O-N 2.89Å; C500-V545 HydrophobicContact CB-CG2 4.13Å; C500-L548 HydrophobicContact CB-CD1 4.32Å
501I89.1Confident89.4Confident13 Ų1358.8 Ų58.87%0.06729%0.291CS..Hα-helixtrans-63.7-49.2174.6-69.5162.9000110.9A471 L476 L497 L498 K503 L504 E505 V545A471-I501 HydrophobicContact CB-CD1 3.96Å; L476-I501 HydrophobicContact CB-CD1 4.31Å; L476-I501 HydrophobicContact CD1-CD1 3.53Å; L476-I501 HydrophobicContact CD1-CG1 3.69Å; L497-I501 HydrophobicContact CD1-CD1 3.99Å; L497-I501 HydrophobicContact CD1-CG1 4.17Å; L497-I501 HydrophobicContact CG-CD1 3.88Å; L497-I501 VanDerWaalsContact O-CG1 3.29Å; L497-I501 WeakPolarHBondContact O-CG1 3.37Å; L497-I501 PolarHBondContact O-N 3.25Å; L498-I501 HydrophobicContact CD2-CD1 4.49Å; L498-I501 PolarHBondContact O-N 2.69Å; I501-K503 VanDerWaalsContact C-N 3.29Å; I501-K503 PolarHBondContact O-N 3.39Å; I501-L504 WeakPolarHBondContact O-CA 3.5Å; I501-L504 WeakPolarHBondContact O-CB 3.43Å; I501-L504 PolarHBondContact O-N 2.86Å; I501-E505 HydrophobicContact CG2-CG 4.27Å; I501-E505 WeakPolarHBondContact O-CG 3.33Å; I501-E505 PolarHBondContact O-N 2.87Å; I501-V545 HydrophobicContact CG1-CG2 4.48Å
502T89Confident89.9Confident52 Ų5260.6 Ų60.632%0.31930%0.297SS..Hα-helixtrans-63.9-33.8-178.853.50000112.9L498 Q499 Q506L498-T502 PolarHBondContact O-N 3.41Å; L498-T502 PolarHBondContact O-OG1 2.89Å; Q499-T502 PolarHBondContact O-OG1 3.35Å; T502-Q506 PolarHBondContact O-N 3.36Å; T502-Q506 VanDerWaalsContact O-N 3.12Å
503K90.9Very high90.1Very high121 Ų12159.8 Ų59.853%0.52630%0.295SS..Hα-helixtrans-67.5-40.1170.6-72.7-177.2177.8-172.10112.6Q499 I501 Q506 A507 L541Q499-K503 WeakPolarHBondContact O-CG 3.42Å; I501-K503 VanDerWaalsContact C-N 3.29Å; I501-K503 PolarHBondContact O-N 3.39Å; K503-Q506 PolarHBondContact O-N 2.86Å; K503-A507 WeakPolarHBondContact O-CB 3.39Å; K503-A507 PolarHBondContact O-N 2.84Å; K503-L541 HydrophobicContact CB-CD1 4.1Å; K503-L541 HydrophobicContact CB-CD2 4Å
504L92.3Very high90.1Very high14 Ų1458.9 Ų58.97%0.07329%0.292CS..Hα-helixtrans-64.6-45.7176.818061.4000111.1C500 I501 Q506 A507 E508 V538 L541 R542 V545C500-L504 WeakPolarHBondContact O-CB 3.16Å; C500-L504 PolarHBondContact O-N 2.89Å; I501-L504 WeakPolarHBondContact O-CA 3.5Å; I501-L504 WeakPolarHBondContact O-CB 3.43Å; I501-L504 PolarHBondContact O-N 2.86Å; L504-Q506 VanDerWaalsContact C-N 3.33Å; L504-Q506 PolarHBondContact O-N 3.23Å; L504-A507 PolarHBondContact O-N 3.14Å; L504-E508 HydrophobicContact CD1-CG 3.88Å; L504-E508 HydrophobicContact CG-CG 4.34Å; L504-E508 WeakPolarHBondContact O-CB 3.39Å; L504-E508 WeakPolarHBondContact O-CG 3.43Å; L504-E508 PolarHBondContact O-N 3.12Å; L504-V538 HydrophobicContact CD1-CG1 4.01Å; L504-L541 HydrophobicContact CB-CB 4.26Å; L504-L541 HydrophobicContact CD1-CB 3.95Å; L504-R542 HydrophobicContact CD1-CG 3.79Å; L504-R542 HydrophobicContact CD2-CG 4.02Å; L504-V545 HydrophobicContact CD2-CG2 4.28Å
505E90.1Very high90.1Very high99 Ų9961.7 Ų61.746%0.46330%0.304SS..Hα-helixtrans-59.6-41.1175.8-70.4174.7149.900111.8I501 S509I501-E505 HydrophobicContact CG2-CG 4.27Å; I501-E505 WeakPolarHBondContact O-CG 3.33Å; I501-E505 PolarHBondContact O-N 2.87Å; E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 3.03Å; E505-S509 VanDerWaalsContact O-N 3.11Å
506Q91.6Very high90.1Very high113 Ų11359.6 Ų59.653%0.52830%0.296SS..Hα-helixtrans-62.5-55.2172.9-177.8-177.9-18.700111.3T502 K503 L504 E508 S509 E510T502-Q506 PolarHBondContact O-N 3.36Å; T502-Q506 VanDerWaalsContact O-N 3.12Å; K503-Q506 PolarHBondContact O-N 2.86Å; L504-Q506 VanDerWaalsContact C-N 3.33Å; L504-Q506 PolarHBondContact O-N 3.23Å; Q506-E508 VanDerWaalsContact C-N 3.33Å; Q506-E508 PolarHBondContact O-N 3.03Å; Q506-S509 WeakPolarHBondContact O-CA 3.28Å; Q506-S509 WeakPolarHBondContact O-CB 3.27Å; Q506-S509 PolarHBondContact O-N 3.35Å; Q506-S509 PolarHBondContact O-OG 2.87Å; Q506-E510 WeakPolarHBondContact CG-OE1 3.43Å; Q506-E510 PolarHBondContact NE2-OE1 2.75Å; Q506-E510 PolarHBondContact O-N 3.25Å
507A91.5Very high89.9Confident4 Ų458.1 Ų58.13%0.03329%0.291CS..Hα-helixtrans-62.7-37.4-175.700000112.5K503 L504 E510 L511 I534 V538 L541K503-A507 WeakPolarHBondContact O-CB 3.39Å; K503-A507 PolarHBondContact O-N 2.84Å; L504-A507 PolarHBondContact O-N 3.14Å; A507-E510 PolarHBondContact O-N 2.84Å; A507-L511 VanDerWaalsContact O-CB 3.32Å; A507-L511 WeakPolarHBondContact O-CB 3.49Å; A507-L511 PolarHBondContact O-N 3.28Å; A507-I534 HydrophobicContact CB-CG2 4.32Å; A507-I534 VanDerWaalsContact O-CG2 3.26Å; A507-I534 WeakPolarHBondContact O-CG2 3.35Å; A507-V538 HydrophobicContact CB-CG2 3.63Å; A507-L541 HydrophobicContact CB-CD1 4.11Å
508E91.7Very high89.5Confident60 Ų6060.7 Ų60.728%0.2831%0.309SS..Hα-helixtrans-67.9-32.8173.5-71.5-172.4159.600112.2L504 Q506 H512 V538 R542L504-E508 HydrophobicContact CD1-CG 3.88Å; L504-E508 HydrophobicContact CG-CG 4.34Å; L504-E508 WeakPolarHBondContact O-CB 3.39Å; L504-E508 WeakPolarHBondContact O-CG 3.43Å; L504-E508 PolarHBondContact O-N 3.12Å; Q506-E508 VanDerWaalsContact C-N 3.33Å; Q506-E508 PolarHBondContact O-N 3.03Å; E508-H512 VanDerWaalsContact O-CB 3.29Å; E508-H512 WeakPolarHBondContact O-CB 3.28Å; E508-H512 PolarHBondContact O-N 2.77Å; E508-V538 HydrophobicContact CG-CG1 3.84Å; E508-V538 HydrophobicContact CG-CG2 3.92Å; E508-R542 IonicContact OE1-CZ 2.65Å; E508-R542 IonicContact OE1-NE 3.94Å; E508-R542 PolarHBondContact OE1-NE 2.96Å; E508-R542 IonicContact OE1-NH2 3.92Å; E508-R542 PolarHBondContact OE1-NH2 2.9Å
509S91.4Very high89.1Confident71 Ų7167 Ų6750%0.49734%0.338SS..Hα-helixtrans-68.3-39.2173.781.40000112.7E505 Q506 H512 H513E505-S509 WeakPolarHBondContact O-CB 3.49Å; E505-S509 PolarHBondContact O-N 3.03Å; E505-S509 VanDerWaalsContact O-N 3.11Å; Q506-S509 WeakPolarHBondContact O-CA 3.28Å; Q506-S509 WeakPolarHBondContact O-CB 3.27Å; Q506-S509 PolarHBondContact O-N 3.35Å; Q506-S509 PolarHBondContact O-OG 2.87Å; S509-H512 PolarHBondContact O-N 3.11Å; S509-H513 PolarHBondContact O-N 3.33Å
510E91.2Very high88.7Confident66 Ų6669.4 Ų69.431%0.30835%0.347SS..Hα-helixtrans-69.7-41.1176-67176.1-161.900111.1Q506 A507 H512 H513 L514 I534Q506-E510 WeakPolarHBondContact CG-OE1 3.43Å; Q506-E510 PolarHBondContact NE2-OE1 2.75Å; Q506-E510 PolarHBondContact O-N 3.25Å; A507-E510 PolarHBondContact O-N 2.84Å; E510-H512 PolarHBondContact O-N 2.71Å; E510-H513 WeakPolarHBondContact O-CB 3.45Å; E510-H513 PolarHBondContact O-N 3.25Å; E510-L514 PolarHBondContact O-N 3.47Å; E510-I534 HydrophobicContact CB-CD1 3.88Å
511L91.4Very high88.2Confident36 Ų3670.3 Ų70.319%0.18836%0.358CS..Hα-helixtrans-60.9-44.2172.8-164.6157.7000111.1A507 H513 L514 H515 Y531 I534 V538A507-L511 VanDerWaalsContact O-CB 3.32Å; A507-L511 WeakPolarHBondContact O-CB 3.49Å; A507-L511 PolarHBondContact O-N 3.28Å; L511-H513 VanDerWaalsContact C-N 3.31Å; L511-H513 PolarHBondContact O-N 2.96Å; L511-L514 PolarHBondContact O-N 3.23Å; L511-H515 WeakPolarHBondContact O-CB 3.43Å; L511-H515 PolarHBondContact O-N 3.26Å; L511-Y531 HydrophobicContact CD2-CE2 4.08Å; L511-Y531 HydrophobicContact CG-CE2 4.29Å; L511-I534 HydrophobicContact CB-CG2 3.88Å; L511-I534 HydrophobicContact CD1-CG2 4.45Å; L511-V538 HydrophobicContact CD1-CB 4.3Å; L511-V538 HydrophobicContact CD1-CG2 3.96Å
512H90.2Very high87.8Confident128 Ų12876 Ų7659%0.59340%0.396SS*.Hα-helixtrans-64.9-34.4176.9-170.2-90.7000112.3E508 S509 E510 S516E508-H512 VanDerWaalsContact O-CB 3.29Å; E508-H512 WeakPolarHBondContact O-CB 3.28Å; E508-H512 PolarHBondContact O-N 2.77Å; S509-H512 PolarHBondContact O-N 3.11Å; E510-H512 PolarHBondContact O-N 2.71Å; H512-S516 WeakPolarHBondContact O-CB 3.29Å; H512-S516 PolarHBondContact O-N 2.88Å
513H90.3Very high87.6Confident118 Ų11874.4 Ų74.455%0.54639%0.385SS..Hα-helixtrans-65-47.8172.5179.7-140.2000112S509 E510 L511 H515 S516 L517S509-H513 PolarHBondContact O-N 3.33Å; E510-H513 WeakPolarHBondContact O-CB 3.45Å; E510-H513 PolarHBondContact O-N 3.25Å; L511-H513 VanDerWaalsContact C-N 3.31Å; L511-H513 PolarHBondContact O-N 2.96Å; H513-H515 VanDerWaalsContact C-N 3.34Å; H513-H515 PolarHBondContact O-N 3.19Å; H513-S516 WeakPolarHBondContact O-CB 3.29Å; H513-S516 PolarHBondContact O-N 3.37Å; H513-L517 PolarHBondContact O-N 2.84Å
514L88.4Confident87.3Confident17 Ų1772.7 Ų72.79%0.08938%0.382CS..Hα-helixtrans-63.6-37.5175.4-70176.4000112.4E510 L511 L517 S518 Q527 E530 Y531 I534E510-L514 PolarHBondContact O-N 3.47Å; L511-L514 PolarHBondContact O-N 3.23Å; L514-L517 HydrophobicContact CD2-CD1 4.25Å; L514-L517 WeakPolarHBondContact O-CB 3.42Å; L514-L517 PolarHBondContact O-N 3.39Å; L514-S518 PolarHBondContact O-N 2.97Å; L514-Q527 HydrophobicContact CD2-CB 4.44Å; L514-Q527 HydrophobicContact CD2-CG 4.4Å; L514-E530 HydrophobicContact CD1-CB 4.23Å; L514-E530 HydrophobicContact CD1-CG 4.01Å; L514-Y531 HydrophobicContact CB-CD2 4.07Å; L514-I534 HydrophobicContact CD1-CD1 3.98Å
515H87.2Confident87Confident77 Ų7774.6 Ų74.636%0.35641%0.405SS..Hα-helixtrans-64.9-40.2173.6-177.4-132.9000111.9L511 H513 L517 S518 Q519L511-H515 WeakPolarHBondContact O-CB 3.43Å; L511-H515 PolarHBondContact O-N 3.26Å; H513-H515 VanDerWaalsContact C-N 3.34Å; H513-H515 PolarHBondContact O-N 3.19Å; H515-L517 VanDerWaalsContact C-N 3.3Å; H515-L517 PolarHBondContact O-N 2.97Å; H515-S518 WeakPolarHBondContact O-CB 3.27Å; H515-S518 PolarHBondContact O-N 2.89Å; H515-S518 VanDerWaalsContact O-N 3.14Å; H515-Q519 PolarHBondContact CE1-NE2 2.81Å; H515-Q519 VanDerWaalsContact CE1-NE2 3.28Å; H515-Q519 PolarHBondContact NE2-NE2 3.49Å; H515-Q519 PolarHBondContact O-N 3.42Å; H515-Q519 VanDerWaalsContact O-N 3.07Å
516S87.4Confident86.8Confident42 Ų4273.5 Ų73.529%0.29441%0.412SS..Hα-helixtrans-64.3-32.3173.3-172.70000113H512 H513 K520H512-S516 WeakPolarHBondContact O-CB 3.29Å; H512-S516 PolarHBondContact O-N 2.88Å; H513-S516 WeakPolarHBondContact O-CB 3.29Å; H513-S516 PolarHBondContact O-N 3.37Å; S516-K520 WeakPolarHBondContact O-CD 3.27Å; S516-K520 WeakPolarHBondContact O-CG 3.41Å; S516-K520 PolarHBondContact OG-NZ 2.96Å
517L84.9Confident86.7Confident53 Ų5370.7 Ų70.728%0.27740%0.399SS..Hα-helixtrans-69.1-42.4170.5-72.3163.7000111.1H513 L514 H515 Q519 K520 G521 L523H513-L517 PolarHBondContact O-N 2.84Å; L514-L517 HydrophobicContact CD2-CD1 4.25Å; L514-L517 WeakPolarHBondContact O-CB 3.42Å; L514-L517 PolarHBondContact O-N 3.39Å; H515-L517 VanDerWaalsContact C-N 3.3Å; H515-L517 PolarHBondContact O-N 2.97Å; L517-Q519 PolarHBondContact O-N 3.11Å; L517-K520 WeakPolarHBondContact O-CB 3.4Å; L517-K520 PolarHBondContact O-N 2.98Å; L517-G521 PolarHBondContact O-N 3.44Å; L517-L523 HydrophobicContact CB-CD2 3.84Å
518S81.7Confident86.5Confident54 Ų5476.1 Ų76.138%0.37842%0.424SS..Hα-helixtrans-64.3-23.6178.5-165.40000114.2L514 H515 G521L514-S518 PolarHBondContact O-N 2.97Å; H515-S518 WeakPolarHBondContact O-CB 3.27Å; H515-S518 PolarHBondContact O-N 2.89Å; H515-S518 VanDerWaalsContact O-N 3.14Å; S518-G521 CarbonylContact C-O 3.58Å; S518-G521 WeakPolarHBondContact CA-O 3.39Å; S518-G521 VanDerWaalsContact O-O 3.12Å
519Q81Confident86.5Confident148 Ų14879.6 Ų79.669%0.69244%0.44SS*.THydrogen-bonded Turntrans-82.1-14.5172.4-68.4-169.64.900113.4H515 L517H515-Q519 PolarHBondContact CE1-NE2 2.81Å; H515-Q519 VanDerWaalsContact CE1-NE2 3.28Å; H515-Q519 PolarHBondContact NE2-NE2 3.49Å; H515-Q519 PolarHBondContact O-N 3.42Å; H515-Q519 VanDerWaalsContact O-N 3.07Å; L517-Q519 PolarHBondContact O-N 3.11Å
520K80.5Confident86.4Confident160 Ų16079.1 Ų79.170%0.69643%0.43SS*.THydrogen-bonded Turntrans-92.6-14.3177.4-68.7163.7-176.4154.70112.9S516 L517S516-K520 WeakPolarHBondContact O-CD 3.27Å; S516-K520 WeakPolarHBondContact O-CG 3.41Å; S516-K520 PolarHBondContact OG-NZ 2.96Å; L517-K520 WeakPolarHBondContact O-CB 3.4Å; L517-K520 PolarHBondContact O-N 2.98Å
521G80.2Confident86.4Confident31 Ų3178.9 Ų78.932%0.3243%0.427SS..SBendtrans168.8173.8176.400000111.6L517 S518 L523L517-G521 PolarHBondContact O-N 3.44Å; S518-G521 CarbonylContact C-O 3.58Å; S518-G521 WeakPolarHBondContact CA-O 3.39Å; S518-G521 VanDerWaalsContact O-O 3.12Å; G521-L523 PolarHBondContact O-N 3.08Å
522P81.9Confident86.4Confident131 Ų13183.5 Ų83.585%0.85145%0.447SS*.PPolyproline II helixtrans-60.8127.4173.626.6-33.8000110.4
523L83.3Confident86.5Confident20 Ų2082.2 Ų82.211%0.10544%0.437CS..PPolyproline II helixtrans-59.8143.2173.5-67.6-175.8000110.8L517 G521 Q527 Q528L517-L523 HydrophobicContact CB-CD2 3.84Å; G521-L523 PolarHBondContact O-N 3.08Å; L523-Q527 HydrophobicContact CB-CB 3.92Å; L523-Q527 HydrophobicContact CD1-CB 4.4Å; L523-Q527 HydrophobicContact CD2-CB 4.09Å; L523-Q527 HydrophobicContact CG-CB 4.36Å; L523-Q528 HydrophobicContact CB-CG 3.69Å
524N86.1Confident86.7Confident85 Ų8576.7 Ų76.746%0.45541%0.412SS..PPolyproline II helixtrans-71.1163170.97844.4000111.1A526 Q527 Q528N524-A526 VanDerWaalsContact C-N 3.25Å; N524-A526 PolarHBondContact O-N 2.82Å; N524-A526 VanDerWaalsContact O-N 3.16Å; N524-A526 WeakPolarHBondContact OD1-CA 3.37Å; N524-A526 WeakPolarHBondContact OD1-CB 3.34Å; N524-A526 PolarHBondContact OD1-N 3.14Å; N524-Q527 PolarHBondContact ND2-OE1 3.21Å; N524-Q527 CarbonylContact O-C 3.58Å; N524-Q527 WeakPolarHBondContact O-CA 3.31Å; N524-Q527 WeakPolarHBondContact O-CB 3.34Å; N524-Q527 PolarHBondContact O-N 2.96Å; N524-Q527 PolarHBondContact OD1-N 2.71Å; N524-Q528 PolarHBondContact O-N 3.45Å
525G84.7Confident86.8Confident54 Ų5476.6 Ų76.656%0.55741%0.413SS*.Hα-helixtrans-58.6-31.7-174.600000114.9H529G525-H529 WeakPolarHBondContact O-CB 3.26Å; G525-H529 PolarHBondContact O-N 2.85Å
526A87.6Confident87.1Confident75 Ų7574.8 Ų74.862%0.6242%0.415SS*.Hα-helixtrans-72.8-39.6174.400000111.7N524 H529 E530N524-A526 VanDerWaalsContact C-N 3.25Å; N524-A526 PolarHBondContact O-N 2.82Å; N524-A526 VanDerWaalsContact O-N 3.16Å; N524-A526 WeakPolarHBondContact OD1-CA 3.37Å; N524-A526 WeakPolarHBondContact OD1-CB 3.34Å; N524-A526 PolarHBondContact OD1-N 3.14Å; A526-H529 PolarHBondContact O-N 3.03Å; A526-E530 VanDerWaalsContact O-CB 3.3Å; A526-E530 WeakPolarHBondContact O-CB 3.46Å; A526-E530 PolarHBondContact O-N 2.89Å
527Q88.6Confident87.4Confident54 Ų5476.2 Ų76.225%0.25242%0.417SS..Hα-helixtrans-67.1-33.8173.9-70.6169.3-31.600112.6L514 L523 N524 Y531L514-Q527 HydrophobicContact CD2-CB 4.44Å; L514-Q527 HydrophobicContact CD2-CG 4.4Å; L523-Q527 HydrophobicContact CB-CB 3.92Å; L523-Q527 HydrophobicContact CD1-CB 4.4Å; L523-Q527 HydrophobicContact CD2-CB 4.09Å; L523-Q527 HydrophobicContact CG-CB 4.36Å; N524-Q527 PolarHBondContact ND2-OE1 3.21Å; N524-Q527 CarbonylContact O-C 3.58Å; N524-Q527 WeakPolarHBondContact O-CA 3.31Å; N524-Q527 WeakPolarHBondContact O-CB 3.34Å; N524-Q527 PolarHBondContact O-N 2.96Å; N524-Q527 PolarHBondContact OD1-N 2.71Å; Q527-Y531 VanDerWaalsContact O-CB 3.22Å; Q527-Y531 WeakPolarHBondContact O-CB 3.14Å; Q527-Y531 PolarHBondContact O-N 3.48Å
528Q88Confident87.8Confident118 Ų11873.9 Ų73.955%0.55141%0.405SS*.Hα-helixtrans-67.7-45.1172.6-72-172.7-30.800111.6L523 N524 E530 Y531 Q532L523-Q528 HydrophobicContact CB-CG 3.69Å; N524-Q528 PolarHBondContact O-N 3.45Å; Q528-E530 VanDerWaalsContact C-N 3.33Å; Q528-E530 PolarHBondContact O-N 2.86Å; Q528-Y531 PolarHBondContact O-N 3.23Å; Q528-Q532 PolarHBondContact O-N 3.44Å
529H90Very high88.3Confident134 Ų13475.3 Ų75.362%0.6241%0.408SS*.Hα-helixtrans-60.2-43.5173.8-178.2-82.3000111.5G525 A526 Q532 R533G525-H529 WeakPolarHBondContact O-CB 3.26Å; G525-H529 PolarHBondContact O-N 2.85Å; A526-H529 PolarHBondContact O-N 3.03Å; H529-Q532 PolarHBondContact O-N 3.31Å; H529-R533 WeakPolarHBondContact O-CB 3.27Å; H529-R533 PolarHBondContact O-N 3.41Å
530E89.6Confident88.9Confident60 Ų6074.9 Ų74.928%0.2841%0.406SS..Hα-helixtrans-69.3-38179-168.164.9-18000112.5L514 A526 Q528 Q532 R533 I534L514-E530 HydrophobicContact CD1-CB 4.23Å; L514-E530 HydrophobicContact CD1-CG 4.01Å; A526-E530 VanDerWaalsContact O-CB 3.3Å; A526-E530 WeakPolarHBondContact O-CB 3.46Å; A526-E530 PolarHBondContact O-N 2.89Å; Q528-E530 VanDerWaalsContact C-N 3.33Å; Q528-E530 PolarHBondContact O-N 2.86Å; E530-Q532 VanDerWaalsContact C-N 3.33Å; E530-Q532 PolarHBondContact O-N 3.46Å; E530-R533 PolarHBondContact O-N 3.46Å; E530-R533 IonicContact OE1-CZ 2.71Å; E530-R533 VanDerWaalsContact OE1-CZ 3.29Å; E530-R533 IonicContact OE1-NE 2.67Å; E530-R533 PolarHBondContact OE1-NE 2.89Å; E530-R533 IonicContact OE1-NH2 2.69Å; E530-R533 PolarHBondContact OE1-NH2 2.96Å; E530-R533 WeakPolarHBondContact OE2-CD 3.36Å; E530-R533 IonicContact OE2-CZ 2.86Å; E530-R533 IonicContact OE2-NE 3.21Å; E530-R533 PolarHBondContact OE2-NE 3.27Å; E530-R533 IonicContact OE2-NH2 3.05Å; E530-I534 HydrophobicContact CG-CD1 3.9Å; E530-I534 HydrophobicContact CG-CG1 4.4Å; E530-I534 WeakPolarHBondContact O-CB 3.34Å; E530-I534 WeakPolarHBondContact O-CG1 3.32Å; E530-I534 PolarHBondContact O-N 3.49Å
531Y91.3Very high89.5Confident61 Ų6168.2 Ų68.224%0.23938%0.378CS..Hα-helixtrans-59.9-43.7171.4179.9-93.4000111.2L511 L514 Q527 Q528 S535L511-Y531 HydrophobicContact CD2-CE2 4.08Å; L511-Y531 HydrophobicContact CG-CE2 4.29Å; L514-Y531 HydrophobicContact CB-CD2 4.07Å; Q527-Y531 VanDerWaalsContact O-CB 3.22Å; Q527-Y531 WeakPolarHBondContact O-CB 3.14Å; Q527-Y531 PolarHBondContact O-N 3.48Å; Q528-Y531 PolarHBondContact O-N 3.23Å; Y531-S535 WeakPolarHBondContact O-CB 3.46Å; Y531-S535 PolarHBondContact O-N 3.32Å
532Q90.8Very high90.1Very high134 Ų13469.1 Ų69.163%0.62637%0.372SS*.Hα-helixtrans-66-40.5176-166.565.219.200112Q528 H529 E530 G536Q528-Q532 PolarHBondContact O-N 3.44Å; H529-Q532 PolarHBondContact O-N 3.31Å; E530-Q532 VanDerWaalsContact C-N 3.33Å; E530-Q532 PolarHBondContact O-N 3.46Å; Q532-G536 PolarHBondContact O-N 2.87Å
533R93.8Very high90.6Very high100 Ų10065.5 Ų65.538%0.37735%0.353SS..Hα-helixtrans-60.3-53.2176.3-169.5-1667068.7-3.3111.3H529 E530 G536 E537H529-R533 WeakPolarHBondContact O-CB 3.27Å; H529-R533 PolarHBondContact O-N 3.41Å; E530-R533 PolarHBondContact O-N 3.46Å; E530-R533 IonicContact OE1-CZ 2.71Å; E530-R533 VanDerWaalsContact OE1-CZ 3.29Å; E530-R533 IonicContact OE1-NE 2.67Å; E530-R533 PolarHBondContact OE1-NE 2.89Å; E530-R533 IonicContact OE1-NH2 2.69Å; E530-R533 PolarHBondContact OE1-NH2 2.96Å; E530-R533 WeakPolarHBondContact OE2-CD 3.36Å; E530-R533 IonicContact OE2-CZ 2.86Å; E530-R533 IonicContact OE2-NE 3.21Å; E530-R533 PolarHBondContact OE2-NE 3.27Å; E530-R533 IonicContact OE2-NH2 3.05Å; R533-G536 PolarHBondContact O-N 2.91Å; R533-E537 IonicContact CZ-OE2 2.68Å; R533-E537 IonicContact NH1-OE2 3.84Å; R533-E537 PolarHBondContact NH1-OE2 3.37Å; R533-E537 PolarHBondContact O-N 3.44Å
534I93.1Very high91Very high2 Ų267 Ų671%0.0136%0.363CS..Hα-helixtrans-70-36.1-177.5-62.8176000110.8A507 E510 L511 L514 E530 G536 E537 V538A507-I534 HydrophobicContact CB-CG2 4.32Å; A507-I534 VanDerWaalsContact O-CG2 3.26Å; A507-I534 WeakPolarHBondContact O-CG2 3.35Å; E510-I534 HydrophobicContact CB-CD1 3.88Å; L511-I534 HydrophobicContact CB-CG2 3.88Å; L511-I534 HydrophobicContact CD1-CG2 4.45Å; L514-I534 HydrophobicContact CD1-CD1 3.98Å; E530-I534 HydrophobicContact CG-CD1 3.9Å; E530-I534 HydrophobicContact CG-CG1 4.4Å; E530-I534 WeakPolarHBondContact O-CB 3.34Å; E530-I534 WeakPolarHBondContact O-CG1 3.32Å; E530-I534 PolarHBondContact O-N 3.49Å; I534-G536 VanDerWaalsContact C-N 3.34Å; I534-G536 PolarHBondContact O-N 3.2Å; I534-E537 PolarHBondContact O-N 3.1Å; I534-V538 HydrophobicContact CG2-CG2 4.26Å; I534-V538 WeakPolarHBondContact O-CB 3.28Å; I534-V538 WeakPolarHBondContact O-CG2 3.11Å; I534-V538 PolarHBondContact O-N 2.79Å
535S91.9Very high91.2Very high16 Ų1663.2 Ų63.211%0.11234%0.343CS..Hα-helixtrans-60.4-42.4171.7-176.60000111.9Y531 N539Y531-S535 WeakPolarHBondContact O-CB 3.46Å; Y531-S535 PolarHBondContact O-N 3.32Å; S535-N539 WeakPolarHBondContact O-CB 3.48Å; S535-N539 PolarHBondContact O-N 3.12Å; S535-N539 VanDerWaalsContact O-N 3.11Å; S535-N539 PolarHBondContact O-ND2 2.7Å
536G93.3Very high91.4Very high39 Ų3965.7 Ų65.740%0.40234%0.34SS..Hα-helixtrans-60.8-45.2171.700000112.9Q532 R533 I534 N539 Q540Q532-G536 PolarHBondContact O-N 2.87Å; R533-G536 PolarHBondContact O-N 2.91Å; I534-G536 VanDerWaalsContact C-N 3.34Å; I534-G536 PolarHBondContact O-N 3.2Å; G536-N539 PolarHBondContact O-N 3.24Å; G536-Q540 PolarHBondContact O-N 3.31Å
537E92.7Very high91.6Very high71 Ų7165.4 Ų65.433%0.33233%0.331SS..Hα-helixtrans-64.3-45.4179-176.2165.8-163.700112.5R533 I534 N539 Q540 L541R533-E537 IonicContact CZ-OE2 2.68Å; R533-E537 IonicContact NH1-OE2 3.84Å; R533-E537 PolarHBondContact NH1-OE2 3.37Å; R533-E537 PolarHBondContact O-N 3.44Å; I534-E537 PolarHBondContact O-N 3.1Å; E537-N539 VanDerWaalsContact C-N 3.34Å; E537-N539 PolarHBondContact O-N 2.83Å; E537-Q540 PolarHBondContact O-N 3.39Å; E537-L541 HydrophobicContact CG-CD1 3.86Å; E537-L541 HydrophobicContact CG-CG 4.41Å; E537-L541 WeakPolarHBondContact O-CB 3.32Å; E537-L541 VanDerWaalsContact O-CG 3.27Å; E537-L541 WeakPolarHBondContact O-CG 3.38Å; E537-L541 PolarHBondContact O-N 3Å
538V93.3Very high91.7Very high5 Ų563.4 Ų63.43%0.0332%0.322CS..Hα-helixtrans-57.9-45.1174.1166.70000111L504 A507 E508 L511 I534 L541 R542L504-V538 HydrophobicContact CD1-CG1 4.01Å; A507-V538 HydrophobicContact CB-CG2 3.63Å; E508-V538 HydrophobicContact CG-CG1 3.84Å; E508-V538 HydrophobicContact CG-CG2 3.92Å; L511-V538 HydrophobicContact CD1-CB 4.3Å; L511-V538 HydrophobicContact CD1-CG2 3.96Å; I534-V538 HydrophobicContact CG2-CG2 4.26Å; I534-V538 WeakPolarHBondContact O-CB 3.28Å; I534-V538 WeakPolarHBondContact O-CG2 3.11Å; I534-V538 PolarHBondContact O-N 2.79Å; V538-L541 PolarHBondContact O-N 3.22Å; V538-R542 HydrophobicContact CG1-CG 4.45Å; V538-R542 WeakPolarHBondContact O-CB 3.36Å; V538-R542 VanDerWaalsContact O-CG 3.28Å; V538-R542 WeakPolarHBondContact O-CG 3.44Å; V538-R542 PolarHBondContact O-N 3.36Å
539N93Very high91.6Very high84 Ų8459.8 Ų59.845%0.44930%0.304SS..Hα-helixtrans-64.7-41.1177.4-76.6-54.7000112.3S535 G536 E537 R542 A543S535-N539 WeakPolarHBondContact O-CB 3.48Å; S535-N539 PolarHBondContact O-N 3.12Å; S535-N539 VanDerWaalsContact O-N 3.11Å; S535-N539 PolarHBondContact O-ND2 2.7Å; G536-N539 PolarHBondContact O-N 3.24Å; E537-N539 VanDerWaalsContact C-N 3.34Å; E537-N539 PolarHBondContact O-N 2.83Å; N539-R542 PolarHBondContact O-N 3.17Å; N539-A543 WeakPolarHBondContact O-CB 3.38Å; N539-A543 PolarHBondContact O-N 3.15Å
540Q93.6Very high91.5Very high138 Ų13856.9 Ų56.965%0.64529%0.293SS*.Hα-helixtrans-64.9-41.4175.3-171.4179.317.600112.2G536 E537 A543 T544G536-Q540 PolarHBondContact O-N 3.31Å; E537-Q540 PolarHBondContact O-N 3.39Å; Q540-A543 PolarHBondContact O-N 3.27Å; Q540-T544 WeakPolarHBondContact O-CB 3.48Å; Q540-T544 PolarHBondContact O-N 2.97Å; Q540-T544 PolarHBondContact O-OG1 2.97Å
541L93.3Very high91.3Very high20 Ų2058 Ų5811%0.10530%0.298CS..Hα-helixtrans-65.9-44.6176.6-72.4167.4000111.3K503 L504 A507 E537 V538 A543 T544 V545K503-L541 HydrophobicContact CB-CD1 4.1Å; K503-L541 HydrophobicContact CB-CD2 4Å; L504-L541 HydrophobicContact CB-CB 4.26Å; L504-L541 HydrophobicContact CD1-CB 3.95Å; A507-L541 HydrophobicContact CB-CD1 4.11Å; E537-L541 HydrophobicContact CG-CD1 3.86Å; E537-L541 HydrophobicContact CG-CG 4.41Å; E537-L541 WeakPolarHBondContact O-CB 3.32Å; E537-L541 VanDerWaalsContact O-CG 3.27Å; E537-L541 WeakPolarHBondContact O-CG 3.38Å; E537-L541 PolarHBondContact O-N 3Å; V538-L541 PolarHBondContact O-N 3.22Å; L541-A543 PolarHBondContact O-N 3.47Å; L541-T544 CarbonylContact O-C 3.58Å; L541-T544 WeakPolarHBondContact O-CB 3.35Å; L541-T544 PolarHBondContact O-N 2.86Å; L541-T544 VanDerWaalsContact O-N 3.15Å; L541-V545 WeakPolarHBondContact O-CG2 3.4Å; L541-V545 PolarHBondContact O-N 2.96Å
542R92.3Very high90.9Very high51 Ų5155.2 Ų55.219%0.19229%0.287CS..Hα-helixtrans-59.3-44.7173.8-73.6172.5174.9-161.7-1112.4L504 E508 V538 N539 T544 V545 H546 D658L504-R542 HydrophobicContact CD1-CG 3.79Å; L504-R542 HydrophobicContact CD2-CG 4.02Å; E508-R542 IonicContact OE1-CZ 2.65Å; E508-R542 IonicContact OE1-NE 3.94Å; E508-R542 PolarHBondContact OE1-NE 2.96Å; E508-R542 IonicContact OE1-NH2 3.92Å; E508-R542 PolarHBondContact OE1-NH2 2.9Å; V538-R542 HydrophobicContact CG1-CG 4.45Å; V538-R542 WeakPolarHBondContact O-CB 3.36Å; V538-R542 VanDerWaalsContact O-CG 3.28Å; V538-R542 WeakPolarHBondContact O-CG 3.44Å; V538-R542 PolarHBondContact O-N 3.36Å; N539-R542 PolarHBondContact O-N 3.17Å; R542-T544 VanDerWaalsContact C-N 3.3Å; R542-T544 PolarHBondContact O-N 3.01Å; R542-V545 PolarHBondContact O-N 3.23Å; R542-H546 WeakPolarHBondContact O-CB 3.5Å; R542-H546 PolarHBondContact O-N 3.37Å; R542-D658 IonicContact CZ-OD1 3.66Å; R542-D658 IonicContact NH1-OD1 2.63Å; R542-D658 PolarHBondContact NH1-OD1 3.11Å; R542-D658 IonicContact NH1-OD2 2.73Å
543A92Very high90.4Very high54 Ų5450.6 Ų50.645%0.44627%0.267SS..Hα-helixtrans-62.3-37.417500000112.2N539 Q540 L541 T547N539-A543 WeakPolarHBondContact O-CB 3.38Å; N539-A543 PolarHBondContact O-N 3.15Å; Q540-A543 PolarHBondContact O-N 3.27Å; L541-A543 PolarHBondContact O-N 3.47Å; A543-T547 WeakPolarHBondContact O-CB 3.28Å; A543-T547 PolarHBondContact O-N 3.16Å; A543-T547 PolarHBondContact O-OG1 3.28Å
544T92.3Very high89.6Confident51 Ų5148.8 Ų48.831%0.31327%0.274SS..Hα-helixtrans-68-46.2175.6-56.20000111.5Q540 L541 R542 H546 T547 L548Q540-T544 WeakPolarHBondContact O-CB 3.48Å; Q540-T544 PolarHBondContact O-N 2.97Å; Q540-T544 PolarHBondContact O-OG1 2.97Å; L541-T544 CarbonylContact O-C 3.58Å; L541-T544 WeakPolarHBondContact O-CB 3.35Å; L541-T544 PolarHBondContact O-N 2.86Å; L541-T544 VanDerWaalsContact O-N 3.15Å; R542-T544 VanDerWaalsContact C-N 3.3Å; R542-T544 PolarHBondContact O-N 3.01Å; T544-H546 PolarHBondContact O-N 3.26Å; T544-T547 PolarHBondContact O-N 2.86Å; T544-L548 HydrophobicContact CG2-CD1 3.96Å; T544-L548 HydrophobicContact CG2-CG 4.45Å; T544-L548 WeakPolarHBondContact O-CB 3.29Å; T544-L548 WeakPolarHBondContact O-CG 3.41Å; T544-L548 PolarHBondContact O-N 3.14Å
545V90.4Very high88.4Confident7 Ų752.8 Ų52.84%0.04229%0.292CS..Hα-helixtrans-57.1-47.7173.9165.40000111.2L476 L497 C500 I501 L504 L541 R542 T547 L548 K549L476-V545 HydrophobicContact CD1-CG1 4.26Å; L476-V545 HydrophobicContact CD2-CG1 3.73Å; L497-V545 HydrophobicContact CD1-CB 4.33Å; L497-V545 HydrophobicContact CD1-CG1 3.95Å; L497-V545 HydrophobicContact CD1-CG2 4.22Å; C500-V545 HydrophobicContact CB-CG2 4.13Å; I501-V545 HydrophobicContact CG1-CG2 4.48Å; L504-V545 HydrophobicContact CD2-CG2 4.28Å; L541-V545 WeakPolarHBondContact O-CG2 3.4Å; L541-V545 PolarHBondContact O-N 2.96Å; R542-V545 PolarHBondContact O-N 3.23Å; V545-T547 VanDerWaalsContact C-N 3.35Å; V545-T547 PolarHBondContact O-N 3.47Å; V545-L548 PolarHBondContact O-N 2.92Å; V545-K549 VanDerWaalsContact O-CB 3.26Å; V545-K549 WeakPolarHBondContact O-CB 3.25Å; V545-K549 PolarHBondContact O-N 3.2Å
546H89.4Confident87.1Confident105 Ų10552.1 Ų52.149%0.48629%0.287SS..Hα-helixtrans-60.4-44176.4179.3-125.8000111.7R542 T544 K549 N550R542-H546 WeakPolarHBondContact O-CB 3.5Å; R542-H546 PolarHBondContact O-N 3.37Å; T544-H546 PolarHBondContact O-N 3.26Å; H546-K549 PolarHBondContact O-N 3.19Å; H546-N550 PolarHBondContact CD2-ND2 2.96Å; H546-N550 PolarHBondContact CE1-ND2 3.37Å; H546-N550 PolarHBondContact NE2-ND2 2.84Å; H546-N550 WeakPolarHBondContact O-CB 3.22Å; H546-N550 PolarHBondContact O-N 3.3Å; H546-N550 PolarHBondContact O-ND2 3.38Å
547T91.1Very high85.7Confident70 Ų7052.4 Ų52.443%0.42929%0.285SS..Hα-helixtrans-63-44.8177.5-59.40000112A543 T544 V545 N550 H551A543-T547 WeakPolarHBondContact O-CB 3.28Å; A543-T547 PolarHBondContact O-N 3.16Å; A543-T547 PolarHBondContact O-OG1 3.28Å; T544-T547 PolarHBondContact O-N 2.86Å; V545-T547 VanDerWaalsContact C-N 3.35Å; V545-T547 PolarHBondContact O-N 3.47Å; T547-N550 PolarHBondContact O-N 2.88Å; T547-H551 PolarHBondContact O-N 2.82Å; T547-H551 VanDerWaalsContact O-N 3.07Å; T547-H551 PolarHBondContact O-ND1 2.91Å
548L90.3Very high84Confident12 Ų1253.1 Ų53.16%0.06330%0.296CS..Hα-helixtrans-66.2-45178-70.7169000111.8Q496 L497 C500 T544 V545 N550 H551 I552Q496-L548 HydrophobicContact CB-CD1 4.32Å; Q496-L548 HydrophobicContact CB-CD2 4.39Å; Q496-L548 HydrophobicContact CG-CD1 3.98Å; Q496-L548 HydrophobicContact CG-CD2 4.25Å; L497-L548 HydrophobicContact CB-CB 4.32Å; L497-L548 HydrophobicContact CB-CD1 4.31Å; L497-L548 HydrophobicContact CD1-CB 4.31Å; C500-L548 HydrophobicContact CB-CD1 4.32Å; T544-L548 HydrophobicContact CG2-CD1 3.96Å; T544-L548 HydrophobicContact CG2-CG 4.45Å; T544-L548 WeakPolarHBondContact O-CB 3.29Å; T544-L548 WeakPolarHBondContact O-CG 3.41Å; T544-L548 PolarHBondContact O-N 3.14Å; V545-L548 PolarHBondContact O-N 2.92Å; L548-N550 VanDerWaalsContact C-N 3.29Å; L548-N550 PolarHBondContact O-N 3.38Å; L548-H551 PolarHBondContact O-N 3.41Å; L548-I552 WeakPolarHBondContact O-CG1 3.39Å; L548-I552 PolarHBondContact O-N 3.28Å
549K87Confident82.2Confident41 Ų4155 Ų5518%0.17831%0.306CS..Hα-helixtrans-55.3-43.8173.2176.2172.9173.2171.30111.6G475 L476 V545 H546 I552 N553G475-K549 WeakPolarHBondContact O-CE 3.46Å; G475-K549 PolarHBondContact O-NZ 3.49Å; L476-K549 HydrophobicContact CD2-CD 4.34Å; V545-K549 VanDerWaalsContact O-CB 3.26Å; V545-K549 WeakPolarHBondContact O-CB 3.25Å; V545-K549 PolarHBondContact O-N 3.2Å; H546-K549 PolarHBondContact O-N 3.19Å; K549-I552 PolarHBondContact O-N 2.93Å; K549-N553 WeakPolarHBondContact O-CB 3.15Å; K549-N553 PolarHBondContact O-N 3.43Å; K549-N553 PolarHBondContact O-ND2 3.17Å
550N86.6Confident80.2Confident73 Ų7355.1 Ų55.139%0.3930%0.3SS..Hα-helixtrans-67.1-38.3178.3-70.9-19000112.7H546 T547 L548 N553 A554H546-N550 PolarHBondContact CD2-ND2 2.96Å; H546-N550 PolarHBondContact CE1-ND2 3.37Å; H546-N550 PolarHBondContact NE2-ND2 2.84Å; H546-N550 WeakPolarHBondContact O-CB 3.22Å; H546-N550 PolarHBondContact O-N 3.3Å; H546-N550 PolarHBondContact O-ND2 3.38Å; T547-N550 PolarHBondContact O-N 2.88Å; L548-N550 VanDerWaalsContact C-N 3.29Å; L548-N550 PolarHBondContact O-N 3.38Å; N550-N553 PolarHBondContact O-N 3.12Å; N550-A554 VanDerWaalsContact O-CB 3.28Å; N550-A554 WeakPolarHBondContact O-CB 3.32Å; N550-A554 PolarHBondContact O-N 3.3Å
551H85.5Confident78Confident84 Ų8456.3 Ų56.339%0.38930%0.303SS..Hα-helixtrans-66.6-41.2173.4-74.691.9000113K493 T547 L548 N553 A554 H555K493-H551 HydrophobicContact CD-CB 4.03Å; T547-H551 PolarHBondContact O-N 2.82Å; T547-H551 VanDerWaalsContact O-N 3.07Å; T547-H551 PolarHBondContact O-ND1 2.91Å; L548-H551 PolarHBondContact O-N 3.41Å; H551-N553 VanDerWaalsContact C-N 3.34Å; H551-A554 PolarHBondContact O-N 2.91Å; H551-H555 PolarHBondContact O-CD2 2.99Å; H551-H555 PolarHBondContact O-N 3.46Å
552I83.7Confident75.8Confident3 Ų359.6 Ų59.62%0.01533%0.328CS..Hα-helixtrans-65.6-39.3177.1-66.8163.1000110.5L481 T490 K493 L494 L497 L548 K549 T556L481-I552 HydrophobicContact CD1-CG2 3.61Å; L481-I552 HydrophobicContact CD2-CG2 4.41Å; T490-I552 HydrophobicContact CG2-CG1 4.48Å; T490-I552 HydrophobicContact CG2-CG2 4.17Å; K493-I552 HydrophobicContact CB-CD1 4.37Å; K493-I552 HydrophobicContact CB-CG1 4.03Å; L494-I552 HydrophobicContact CB-CD1 4.38Å; L497-I552 HydrophobicContact CB-CD1 4.28Å; L497-I552 HydrophobicContact CD2-CD1 3.77Å; L548-I552 WeakPolarHBondContact O-CG1 3.39Å; L548-I552 PolarHBondContact O-N 3.28Å; K549-I552 PolarHBondContact O-N 2.93Å; I552-T556 WeakPolarHBondContact O-CG2 3.37Å; I552-T556 PolarHBondContact O-N 3.06Å; I552-T556 PolarHBondContact O-OG1 3.42Å
553N80.4Confident73.8Confident36 Ų3665.4 Ų65.419%0.19335%0.35CS..Hα-helixtrans-68.9-39.2174.2-77.7-22.6000112.8E478 K549 N550 H551 T556 A557 R560E478-N553 PolarHBondContact OE1-OD1 2.9Å; K549-N553 WeakPolarHBondContact O-CB 3.15Å; K549-N553 PolarHBondContact O-N 3.43Å; K549-N553 PolarHBondContact O-ND2 3.17Å; N550-N553 PolarHBondContact O-N 3.12Å; H551-N553 VanDerWaalsContact C-N 3.34Å; N553-T556 CarbonylContact O-C 3.6Å; N553-T556 PolarHBondContact O-N 3.34Å; N553-T556 PolarHBondContact O-OG1 3.28Å; N553-A557 PolarHBondContact O-N 3.11Å; N553-R560 PolarHBondContact OD1-NH2 3.32Å
554A77.3Confident71.7Confident63 Ų6367.4 Ų67.452%0.52136%0.36SS..Hα-helixtrans-62.4-46.4176.100000111.9N550 H551 T556 A557 P558N550-A554 VanDerWaalsContact O-CB 3.28Å; N550-A554 WeakPolarHBondContact O-CB 3.32Å; N550-A554 PolarHBondContact O-N 3.3Å; H551-A554 PolarHBondContact O-N 2.91Å; A554-T556 PolarHBondContact O-N 3.32Å; A554-A557 PolarHBondContact O-N 3.13Å; A554-P558 WeakPolarHBondContact O-CD 3.43Å
555H67.1Low69.4Low86 Ų8669.8 Ų69.840%0.39838%0.379SS..Hα-helixtrans-63-21.9175.8-86.4-60.8000114.1E489 K493 H551E489-H555 IonicContact OE1-CD2 3.74Å; E489-H555 IonicContact OE1-CE1 3.66Å; E489-H555 CovalentContact OE1-NE2 1.77Å; E489-H555 IonicContact OE1-NE2 1.77Å; E489-H555 PolarHBondContact OE1-NE2 3.37Å; E489-H555 IonicContact OE2-CE1 2.77Å; E489-H555 PolarHBondContact OE2-CE1 2.9Å; E489-H555 IonicContact OE2-NE2 2.63Å; E489-H555 PolarHBondContact OE2-NE2 2.86Å; K493-H555 PolarHBondContact NZ-NE2 2.9Å; H551-H555 PolarHBondContact O-CD2 2.99Å; H551-H555 PolarHBondContact O-N 3.46Å
556T65.2Low66.8Low2 Ų272.9 Ų72.91%0.01241%0.412CS..Hα-helixtrans-104.7-7.8-179.757.60000114.4L481 I552 N553 A554 P558 I559 R560L481-T556 HydrophobicContact CD2-CG2 3.19Å; I552-T556 WeakPolarHBondContact O-CG2 3.37Å; I552-T556 PolarHBondContact O-N 3.06Å; I552-T556 PolarHBondContact O-OG1 3.42Å; N553-T556 CarbonylContact O-C 3.6Å; N553-T556 PolarHBondContact O-N 3.34Å; N553-T556 PolarHBondContact O-OG1 3.28Å; A554-T556 PolarHBondContact O-N 3.32Å; T556-P558 VanDerWaalsContact C-CD 3.47Å; T556-I559 HydrophobicContact CG2-CD1 4.33Å; T556-I559 WeakPolarHBondContact O-CB 3.49Å; T556-I559 PolarHBondContact O-N 3.37Å; T556-R560 WeakPolarHBondContact O-CG 3.39Å; T556-R560 PolarHBondContact O-N 2.88Å; T556-R560 PolarHBondContact OG1-NH2 2.87Å
557A62.6Low64.2Low44 Ų4475.7 Ų75.736%0.36443%0.43SS..Hα-helixtrans-58-37.7171.400000114.3N553 A554 I559 R560 K561N553-A557 PolarHBondContact O-N 3.11Å; A554-A557 PolarHBondContact O-N 3.13Å; A557-I559 VanDerWaalsContact C-N 3.32Å; A557-I559 PolarHBondContact O-N 2.91Å; A557-R560 PolarHBondContact O-N 3.11Å; A557-K561 PolarHBondContact O-N 2.61Å
558P57.6Low61.6Low86 Ų8679.1 Ų79.156%0.55845%0.451SS*.Hα-helixtrans-61.5-39.5173.3-23.534.4000112.7A554 T556 R560 K561A554-P558 WeakPolarHBondContact O-CD 3.43Å; T556-P558 VanDerWaalsContact C-CD 3.47Å; P558-R560 VanDerWaalsContact C-N 3.27Å; P558-R560 PolarHBondContact O-N 3.02Å; P558-K561 PolarHBondContact O-N 2.78Å
559I54.7Low59.1Low45 Ų4585.9 Ų85.923%0.23149%0.492CS..Hα-helixtrans-68-27.1-178.7-57.9175.4000111.6Q484 T556 A557 S562Q484-I559 VanDerWaalsContact NE2-CG2 3.27Å; Q484-I559 VanDerWaalsContact OE1-CG2 3.25Å; T556-I559 HydrophobicContact CG2-CD1 4.33Å; T556-I559 WeakPolarHBondContact O-CB 3.49Å; T556-I559 PolarHBondContact O-N 3.37Å; A557-I559 VanDerWaalsContact C-N 3.32Å; A557-I559 PolarHBondContact O-N 2.91Å; I559-S562 PolarHBondContact O-OG 3.26Å
560R52.2Low56.5Low87 Ų8788.1 Ų88.133%0.32853%0.527SS..Hα-helixtrans-73.7-40.3176.3-63.3170.8-151.1-154.26.3111.9E478 H480 N553 T556 A557 P558 S562 R563E478-R560 IonicContact OE1-CZ 3.24Å; E478-R560 VanDerWaalsContact OE1-CZ 3.24Å; E478-R560 IonicContact OE1-NH1 2.67Å; E478-R560 PolarHBondContact OE1-NH1 2.85Å; E478-R560 IonicContact OE1-NH2 3.01Å; E478-R560 PolarHBondContact OE1-NH2 2.79Å; E478-R560 IonicContact OE2-CZ 3.95Å; E478-R560 IonicContact OE2-NH1 3.37Å; E478-R560 PolarHBondContact OE2-NH1 2.85Å; H480-R560 PolarHBondContact CE1-NH2 3.37Å; H480-R560 VanDerWaalsContact CE1-NH2 3.32Å; H480-R560 PolarHBondContact NE2-NE 2.8Å; N553-R560 PolarHBondContact OD1-NH2 3.32Å; T556-R560 WeakPolarHBondContact O-CG 3.39Å; T556-R560 PolarHBondContact O-N 2.88Å; T556-R560 PolarHBondContact OG1-NH2 2.87Å; A557-R560 PolarHBondContact O-N 3.11Å; P558-R560 VanDerWaalsContact C-N 3.27Å; P558-R560 PolarHBondContact O-N 3.02Å; R560-S562 VanDerWaalsContact C-N 3.33Å; R560-S562 PolarHBondContact O-N 3.43Å; R560-R563 PolarHBondContact O-N 3.18Å
561K47.6Very low53.9Low162 Ų16288.4 Ų88.470%0.70455%0.547SS*.Hα-helixtrans-67.8-27.6-178-71-175.3177.5-178.10114A557 P558 R563 S564 S565A557-K561 PolarHBondContact O-N 2.61Å; P558-K561 PolarHBondContact O-N 2.78Å; K561-R563 VanDerWaalsContact C-N 3.35Å; K561-S564 PolarHBondContact O-OG 2.69Å; K561-S565 PolarHBondContact O-OG 3.05Å
562S47.2Very low51.3Low90 Ų9087.8 Ų87.863%0.62956%0.564SS**THydrogen-bonded Turntrans-78.6-13.7179.853.80000114.3I559 R560I559-S562 PolarHBondContact O-OG 3.26Å; R560-S562 VanDerWaalsContact C-N 3.33Å; R560-S562 PolarHBondContact O-N 3.43Å
563R49.4Very low49Very low173 Ų17396 Ų9665%0.65361%0.606SS**THydrogen-bonded Turntrans-96.1-19.9176.5-73.7-171.1172.4-170.2-1114.6R560 K561R560-R563 PolarHBondContact O-N 3.18Å; K561-R563 VanDerWaalsContact C-N 3.35Å
564S47.9Very low46.7Very low95 Ų9597.5 Ų97.566%0.66463%0.629SS**THydrogen-bonded Turntrans-81.4-9-177.851.50000115.2K561K561-S564 PolarHBondContact O-OG 2.69Å
565S43.4Very low44.7Very low101 Ų101101 Ų10171%0.70665%0.65SS**THydrogen-bonded Turntrans-117.612.8-164.6-48.70000114.5K561K561-S565 PolarHBondContact O-OG 3.05Å
566G36.6Very low43Very low72 Ų72102.4 Ų102.474%0.74267%0.669SS**SBendtrans-110.710.6-170.200000116.5
567L33.9Very low41.6Very low164 Ų164107.7 Ų107.786%0.85971%0.706SS**  trans-133.240.7-162.6-128.5164.9000114.2
568V38.2Very low40.4Very low143 Ų143110.6 Ų110.687%0.86772%0.724SS**  trans-13761.3175-163.30000111.7
569V36.3Very low39.4Very low153 Ų153112.1 Ų112.193%0.92774%0.737SS**  trans-137.4105.7163.1-178.50000108
570G33.1Very low38.3Very low88 Ų88115 Ų11591%0.90776%0.761SS**  trans-170.838.3-168.400000115.1
571G31.3Very low37.4Very low79 Ų79117 Ų11781%0.81478%0.779SS**  trans166.4123.7171.500000115.4
572G32.3Very low36.7Very low72 Ų72115.7 Ų115.774%0.74278%0.779SS**  trans115.6102.8148.500000118.8
573I34.4Very low36.2Very low176 Ų176119.9 Ų119.990%0.90379%0.793SS**  trans5687.9136-41.9173.6000118.7
574G33.4Very low35.4Very low66 Ų66115 Ų11568%0.6880%0.797SS**  87.9161.611000000121.6
575S34.7Very low34.8Very low137 Ų137117.9 Ų117.996%0.95881%0.805SS**  trans91.6142.9176-45.90000116.8
576S32.2Very low34.4Very low115 Ų115118.9 Ų118.980%0.80481%0.807SS**  trans-133.2129-159.955.90000114.2
577S35.8Very low34.2Very low113 Ų113121.4 Ų121.479%0.7981%0.807SS**  trans-179.3139152.735.10000106.7
578S35.6Very low34.3Very low106 Ų106118.8 Ų118.874%0.74180%0.798SS**  cis123.7133.729.8-76.70000106
579S37.2Very low34.2Very low117 Ų117117.7 Ų117.782%0.81879%0.791SS**  trans53.3109.5172.345.60000117.1
580S31.8Very low34.1Very low107 Ų107116 Ų11675%0.74878%0.782SS**  cis85.9138.649.9-161.30000114.4
581N33.3Very low34.1Very low129 Ų129116.8 Ų116.869%0.6977%0.773SS**  trans86.9123.2171-63.442.4000119
582D33.2Very low34Very low134 Ų134118 Ų11872%0.71778%0.775SS**  trans44.8104.3136.4-49.1-48000120
583L36.2Very low34.1Very low177 Ų177120.4 Ų120.493%0.92778%0.781SS**  -170.8145.598.2-95.5163.8000110.1
584G31.9Very low34Very low71 Ų71115.9 Ų115.973%0.73278%0.777SS**  trans-81130.9173.800000111
585N36.6Very low33.9Very low156 Ų156118.7 Ų118.783%0.83479%0.787SS**  trans-156.6159.3157.1-124.3-24000114.8
586V33.6Very low33.9Very low122 Ų122117.8 Ų117.874%0.73978%0.78SS**  trans-57.4128.6179.1178.60000111.6V588V586-V588 HydrophobicContact CG1-CG2 4.3Å
587V34Very low33.9Very low124 Ų124118.8 Ų118.875%0.75278%0.782SS**  trans-99.5102.4167.6179.70000109.9V589V587-V589 HydrophobicContact CG1-CG2 4.06Å; V587-V589 PolarHBondContact O-N 2.85Å
588V36.2Very low33.8Very low109 Ų109120.3 Ų120.366%0.66179%0.786SS**  trans-75116161173.60000107.8V586 T590V586-V588 HydrophobicContact CG1-CG2 4.3Å; V588-T590 HydrophobicContact CG1-CG2 4.07Å; V588-T590 PolarHBondContact O-N 3.02Å
589V36.3Very low33.5Very low120 Ų120120.6 Ų120.673%0.72779%0.788SS**  trans-83.181.4177-174.80000110.1V587V587-V589 HydrophobicContact CG1-CG2 4.06Å; V587-V589 PolarHBondContact O-N 2.85Å
590T33.1Very low33.2Very low119 Ų119119.4 Ų119.473%0.7379%0.785SS**  trans-100.581.2159.345.50000109.1V588 A592V588-T590 HydrophobicContact CG1-CG2 4.07Å; V588-T590 PolarHBondContact O-N 3.02Å; T590-A592 PolarHBondContact O-N 3.22Å
591S33.4Very low33.1Very low104 Ų104118.9 Ų118.973%0.72778%0.782SS**  trans-76.983.5177.356.80000111.1
592A28Very low33Very low104 Ų104119.9 Ų119.986%0.8679%0.787SS**  trans-82.8126.6165.900000110T590T590-A592 PolarHBondContact O-N 3.22Å
593S34.7Very low33.1Very low122 Ų122119.6 Ų119.685%0.85379%0.79SS**  trans-143.4109.1173.746.80000109.9
594G32.4Very low33Very low81 Ų81118.4 Ų118.484%0.83578%0.784SS**  trans168.855.4-171.700000113S596G594-S596 PolarHBondContact O-N 3.37Å
595S32.3Very low33Very low125 Ų125122.8 Ų122.887%0.87479%0.79SS**  trans-77118.5177.9-177.70000111.4
596S35.2Very low32.7Very low118 Ų118118.9 Ų118.983%0.82579%0.787SS**  trans-169.5151.7139.135.50000111G594G594-S596 PolarHBondContact O-N 3.37Å
597T30.7Very low32.5Very low136 Ų136118.7 Ų118.783%0.83479%0.791SS**  trans-92141.4-175.4510000112.6
598V34.8Very low32.5Very low145 Ų145122 Ų12288%0.87980%0.795SS**  -173.4147.3129.1141.40000108.5
599S28Very low32.2Very low113 Ų113122.5 Ų122.579%0.7980%0.798SS**  trans-109.2169.4-176.5-56.30000112.3
600A31.5Very low32.1Very low92 Ų92124.3 Ų124.376%0.7680%0.798SS**  trans72.7148.3173.800000115.8
601S29.8Very low31.9Very low96 Ų96126.1 Ų126.167%0.67180%0.798SS**  cis-165.6167.9-17.8-980000110
602D32.1Very low31.6Very low149 Ų149132.7 Ų132.780%0.79781%0.808SS**  trans71.7162.6157.2-55.7-44000120.7
603V35.4Very low31.8Very low129 Ų129135.1 Ų135.178%0.78280%0.799SS**  trans63.685.3171.4-162.10000115.5
604L33.6Very low31.5Very low152 Ų152139 Ų13980%0.79680%0.803SS**  61.6137.371-69.6167.4000117.1
605N31Very low31.2Very low163 Ų163139.2 Ų139.287%0.87279%0.792SS**  trans65.8129.3163.1-67.6-7.2000120.1
606G30.8Very low31.1Very low73 Ų73140.9 Ų140.975%0.75379%0.791SS**  132.666.7128.100000119.6
607S29.6Very low30.9Very low119 Ų119142.2 Ų142.283%0.83279%0.794SS**  trans3.9108.5151.3-51.40000120.1
608K33.3Very low30.7Very low192 Ų192141.6 Ų141.684%0.83579%0.79SS**  trans-168.5128.2137-102.8156.4-176178.60109.5
609V30.9Very low30.6Very low120 Ų120142.4 Ų142.473%0.72779%0.788SS**  51.9103.792.8-177.80000113.4
610H34.4Very low30.6Very low158 Ų158144.9 Ų144.973%0.73179%0.787SS**  trans-178.4109.1142.9-80.4-49.7000106
611Q27.9Very low30.5Very low157 Ų157148 Ų14873%0.73479%0.786SS**  48.875.673.4-160.3-176.227.800113.8K613Q611-K613 PolarHBondContact O-N 3.13Å
612W28.4Very low30.5Very low243 Ų243151.8 Ų151.892%0.9279%0.79SS**  trans-79.599.8165.2-7782.2000110.3
613K30.6Very low30.3Very low155 Ų155149.4 Ų149.467%0.67479%0.785SS**  trans-69.6132.6160.3-77-175.8175-178.70108.6Q611Q611-K613 PolarHBondContact O-N 3.13Å
614H28.1Very low30.2Very low202 Ų202150.6 Ų150.694%0.93578%0.782SS**  trans-80.7118.5144.2-84.8-78.1000107.6
615S27.4Very low30.2Very low86 Ų86150.6 Ų150.660%0.60178%0.783SS**  trans-139.5104.2175.854.90000109.5
616D29.5Very low30.3Very low161 Ų161146.2 Ų146.286%0.86178%0.777SS**  trans-148.1112.7167.1-91.5-49.9000109.4
617V31.7Very low30.4Very low146 Ų146150 Ų15089%0.88578%0.779SS**  trans174.7131.3131.9152.90000107.8
618V27.1Very low30.8Very low123 Ų123150 Ų15075%0.74578%0.775SS**  trans-87.5131.3-165.4173.70000113
619L31Very low31Very low162 Ų162143.8 Ų143.885%0.84877%0.765SS**  trans-147.1107.5137.6-72.2-176.2000106.8
620Q27.7Very low31.2Very low165 Ų165149 Ų14977%0.77177%0.772SS**  8579.571.3-168.1-173.833.800114.3
621E29.5Very low31.3Very low158 Ų158146.6 Ų146.674%0.73877%0.765SS**  -158.5111.3125.9-111.2-152.111500113.7
622K29.7Very low31.7Very low175 Ų175146.3 Ų146.376%0.76176%0.761SS**  68.8130.8120.9-156.7171.4-177.2178.30122.4
623S29.9Very low31.8Very low99 Ų99141.8 Ų141.869%0.69275%0.754SS**  trans70.4139.2169.2-99.90000117
624Q33.1Very low31.9Very low154 Ų154140.6 Ų140.672%0.7276%0.759SS**  cis-159148-3.9-145.3173.2-51.100111.7
625N31.8Very low32Very low151 Ų151133.9 Ų133.981%0.80775%0.745SS**  trans63.6134.6172.9-49.8-23.7000116.4
626G33.4Very low32Very low72 Ų72140 Ų14074%0.74276%0.761SS**  cis169143.5-1200000113.1
627D34.5Very low32.1Very low151 Ų151142 Ų14281%0.80777%0.765SS**  trans59.4146.5153-125.536.9000120.3
628T37.6Very low32.4Very low120 Ų120142.7 Ų142.774%0.73676%0.763SS**  cis-151.5149.57.2-31.70000111.5
629G36.4Very low32.4Very low61 Ų61144.7 Ų144.763%0.62977%0.766SS**  trans89.5125.6162.400000116.6
630R36.2Very low32.4Very low229 Ų229142.9 Ų142.986%0.86476%0.762SS**  70.6135.453.4-66.5-171.7-176.3156.92.7113.2
631D35.2Very low32.5Very low109 Ų109140.6 Ų140.658%0.58376%0.764SS**  cis-169163.92-95.9-20.1000107.1
632K36.7Very low32.5Very low150 Ų150139 Ų13965%0.65277%0.771SS**  cis-172.6150-8.3-111.4165.9-171.5135.90111.1
633L29.8Very low32.5Very low149 Ų149135 Ų13578%0.7876%0.757SS**  trans63.9149.9163.4-82.374.7000116.5
634V34.5Very low32.7Very low130 Ų130135.9 Ų135.979%0.78876%0.761SS**  cis-149.8172.70.2-108.60000108.1
635G29.8Very low32.7Very low61 Ų61138.5 Ų138.563%0.62976%0.764SS**  cis148.3154.3-300000113.4
636F27.9Very low33Very low214 Ų214135 Ų13594%0.93975%0.752SS**  trans61113.3175-72.9-83.7000120.5
637E31.4Very low33.2Very low202 Ų202141.1 Ų141.194%0.94476%0.758SS**  -147.2179123.8-140.3-177155.800110.1
638L36.4Very low33.3Very low161 Ų161140.9 Ų140.984%0.84375%0.752SS**  trans-120.3168.4-155.9-163.360.7000114.2
639M28Very low33.3Very low165 Ų165143.8 Ų143.881%0.81375%0.75SS**  trans-57.1157.8172.5-60.3178.4162.800112.1
640T31Very low33.4Very low125 Ų125150.2 Ų150.277%0.76776%0.763SS**  -161.6172.654.851.90000115.1
641S29.7Very low33.2Very low117 Ų117147.6 Ų147.682%0.81876%0.761SS**  trans65.7108164.664.40000118.3
642S30.3Very low33Very low125 Ų125146.5 Ų146.587%0.87476%0.762SS**  trans-104.7110.8171.9-540000110.9
643D28.8Very low32.7Very low89 Ų89144.8 Ų144.848%0.47676%0.755SS.*  trans-86.7116169179.7-5.3000110.3W645 S646D643-W645 PolarHBondContact O-N 2.81Å; D643-W645 PolarHBondContact OD1-N 2.98Å; D643-S646 PolarHBondContact O-N 3.46Å; D643-S646 PolarHBondContact O-OG 2.85Å; D643-S646 VanDerWaalsContact O-OG 3.06Å
644P33.5Very low32.8Very low118 Ų118143.5 Ų143.577%0.76675%0.748SS**G310 helixtrans-63.7-22.1-178.226.9-35.1000114.3S646P644-S646 PolarHBondContact O-N 3.4Å; P644-S646 VanDerWaalsContact O-N 3.15Å
645W34.7Very low32.8Very low209 Ų209141.8 Ų141.879%0.79273%0.728SS**G310 helixtrans-67.5-13.4179.9-91.3-48000114.4D643 K647D643-W645 PolarHBondContact O-N 2.81Å; D643-W645 PolarHBondContact OD1-N 2.98Å; W645-K647 PolarHBondContact O-N 3.47Å
646S36.9Very low33.1Very low79 Ų79143.3 Ų143.355%0.55273%0.726SS**G310 helixtrans-68.1-32.9-173-54.80000114.2D643 P644D643-S646 PolarHBondContact O-N 3.46Å; D643-S646 PolarHBondContact O-OG 2.85Å; D643-S646 VanDerWaalsContact O-OG 3.06Å; P644-S646 PolarHBondContact O-N 3.4Å; P644-S646 VanDerWaalsContact O-N 3.15Å
647K37.2Very low33.3Very low199 Ų199136 Ų13687%0.86570%0.701SS**SBendtrans-96.3-14.3-164.3-69.6-169.1175.7-175.60116.2W645 R649W645-K647 PolarHBondContact O-N 3.47Å; K647-R649 VanDerWaalsContact C-N 3.33Å; K647-R649 PolarHBondContact O-N 2.87Å
648Q36.4Very low33.4Very low146 Ų146129.8 Ų129.868%0.68268%0.675SS**SBendtrans-86.12.1-175.2-162.2163.8-6.400114Q650Q648-Q650 VanDerWaalsContact C-N 3.32Å; Q648-Q650 PolarHBondContact O-N 2.71Å
649R38.5Very low33.2Very low182 Ų182128.8 Ų128.869%0.68767%0.67SS**THydrogen-bonded Turntrans-84.514.5-167.6-143-171.7-66.9-135.62.4116.2E478 K647E478-R649 IonicContact OE2-NH1 3.87Å; K647-R649 VanDerWaalsContact C-N 3.33Å; K647-R649 PolarHBondContact O-N 2.87Å
650Q37.8Very low33.4Very low195 Ų195130.6 Ų130.691%0.91167%0.669SS**THydrogen-bonded Turntrans-137.16.9-179.7-83-173.8-4100115.1Q648Q648-Q650 VanDerWaalsContact C-N 3.32Å; Q648-Q650 PolarHBondContact O-N 2.71Å
651Q33.3Very low33.8Very low175 Ų175129.8 Ų129.882%0.81866%0.659SS**SBendtrans-113.6156.8169.3-68.7-175-8.300109.8F653Q651-F653 PolarHBondContact O-N 2.91Å
652S29.4Very low33.9Very low86 Ų86132.9 Ų132.960%0.60166%0.658SS**  trans-56.1131.1-178.5-168.60000110.4D654S652-D654 VanDerWaalsContact C-N 3.25Å; S652-D654 PolarHBondContact O-N 2.65Å; S652-D654 VanDerWaalsContact O-N 3.16Å; S652-D654 PolarHBondContact OG-OD1 3.36Å
653F31.5Very low33.9Very low114 Ų114129.5 Ų129.550%0.564%0.644SS.*  trans-85.379165.5-170.7-90000107.5Q651Q651-F653 PolarHBondContact O-N 2.91Å
654D32.7Very low34Very low121 Ų121128.9 Ų128.965%0.64765%0.651SS**  trans-68.3138.7168-64.5-31.7000108.7S652S652-D654 VanDerWaalsContact C-N 3.25Å; S652-D654 PolarHBondContact O-N 2.65Å; S652-D654 VanDerWaalsContact O-N 3.16Å; S652-D654 PolarHBondContact OG-OD1 3.36Å
655W33.3Very low33.9Very low95 Ų95130.7 Ų130.736%0.3665%0.654SS.*  trans-72.1141.8-176.7-8282.1000110.8T474 L476 C657 D658T474-W655 HydrophobicContact CG2-CH2 4.43Å; L476-W655 HydrophobicContact CD2-CZ2 4.36Å; W655-C657 PolarHBondContact O-N 2.9Å; W655-D658 PolarHBondContact O-N 3.2Å
656P36.2Very low33.6Very low92 Ų92127.3 Ų127.360%0.59765%0.646SS**THydrogen-bonded Turntrans-57.3-11.6175.2-27.135.7000115.4
657C31.6Very low33.5Very low61 Ų61131.3 Ų131.341%0.41266%0.661SS.*THydrogen-bonded Turntrans-77.6-28.1-179-57.20000114W655 N659 Y660W655-C657 PolarHBondContact O-N 2.9Å; C657-N659 VanDerWaalsContact C-N 3.27Å; C657-N659 PolarHBondContact O-N 3.31Å; C657-Y660 PolarHBondContact O-N 2.93Å
658D33.8Very low33Very low72 Ų72127.5 Ų127.539%0.38566%0.659SS.*G310 helixtrans-79.8-11.1-166.6-62.5-24000113.6R542 W655 Y660R542-D658 IonicContact CZ-OD1 3.66Å; R542-D658 IonicContact NH1-OD1 2.63Å; R542-D658 PolarHBondContact NH1-OD1 3.11Å; R542-D658 IonicContact NH1-OD2 2.73Å; W655-D658 PolarHBondContact O-N 3.2Å; D658-Y660 PolarHBondContact O-N 2.84Å
659N32.2Very low32.5Very low139 Ų139126.3 Ų126.374%0.74367%0.667SS**G310 helixtrans-72.3-9170.1-77.7-23.4000114C657C657-N659 VanDerWaalsContact C-N 3.27Å; C657-N659 PolarHBondContact O-N 3.31Å
660Y33Very low31.9Very low204 Ų204123.1 Ų123.180%0.867%0.673SS**G310 helixtrans-99-14.7-179.3-74.6-79.5000115.2C657 D658C657-Y660 PolarHBondContact O-N 2.93Å; D658-Y660 PolarHBondContact O-N 2.84Å
661L38.1Very low31.5Very low107 Ų107117.8 Ų117.856%0.5666%0.662SS**THydrogen-bonded Turntrans-97-20.8172.7-104.767.9000113.5G663L661-G663 PolarHBondContact O-N 3.2Å
662K33.2Very low31.4Very low182 Ų182119.6 Ų119.679%0.79167%0.668SS**THydrogen-bonded Turntrans-75.326.6-173.8-149.1167.4-172.8169.80114.9
663G29.3Very low31.5Very low55 Ų55124.5 Ų124.557%0.56768%0.681SS**THydrogen-bonded Turntrans-117.9-3.8-17400000115.9L661 H666L661-G663 PolarHBondContact O-N 3.2Å; G663-H666 PolarHBondContact O-CE1 3.29Å
664A32.5Very low31.4Very low76 Ų76122.6 Ų122.663%0.62869%0.693SS**SBendtrans-100-34.7-170.900000115.1H666A664-H666 PolarHBondContact O-N 2.88Å; A664-H666 VanDerWaalsContact O-N 3.12Å
665D29.5Very low31.6Very low155 Ų155125.1 Ų125.183%0.82971%0.705SS**SBendtrans-91.435.5-159-54.5-46.2000115.5
666H30.2Very low31.3Very low138 Ų138125.3 Ų125.364%0.63972%0.721SS**  trans-135.241.5-176.253.9-94.2000115G663 A664G663-H666 PolarHBondContact O-CE1 3.29Å; A664-H666 PolarHBondContact O-N 2.88Å; A664-H666 VanDerWaalsContact O-N 3.12Å
667L33.5Very low31.2Very low163 Ų163127.6 Ų127.685%0.85373%0.728SS**  trans-135.169.3167.8-73.2178.2000112.6
668S28Very low31.4Very low119 Ų119132.5 Ų132.583%0.83275%0.745SS**SBendtrans-158.5129.5160.8-82.20000110.7
669S25.2Very low31.4Very low121 Ų121134.2 Ų134.285%0.84676%0.763SS**  trans53.6109.2-178.3-65.70000115
670S26.5Very low31.5Very low116 Ų116131.9 Ų131.981%0.81176%0.757SS**  -175.6174.257.948.70000112.6
671A29.1Very low31.5Very low83 Ų83129.5 Ų129.569%0.68676%0.757SS**  trans59.595.6162.200000118.6
672F31.3Very low31.4Very low213 Ų213131 Ų13193%0.93476%0.764SS**  -139.7135113.5-116.2-81.6000109.8
673H32Very low31.5Very low189 Ų189127.6 Ų127.688%0.87576%0.764SS**  trans-96.1149.7176-102.817.3000110.7
674G28.4Very low31.7Very low74 Ų74130.3 Ų130.376%0.76377%0.774SS**  trans-74177.1-161.900000118
675I36.2Very low32.1Very low174 Ų174132.1 Ų132.189%0.89278%0.779SS**  trans-140.7129.4143.927.3174.4000106.7
676S28.6Very low32.4Very low98 Ų98130.1 Ų130.169%0.68578%0.777SS**  trans-79.7152.3162.4-52.90000108.6
677D34Very low32.8Very low140 Ų140128.9 Ų128.975%0.74978%0.775SS**  165155.3101.2-90.3-38.4000114.5
678E34.6Very low33Very low164 Ų164130 Ų13077%0.76677%0.773SS**  trans56.9117.3146.2-69.7174.9-179.900122.5
679S34.6Very low33.4Very low109 Ų109127.6 Ų127.676%0.76277%0.767SS**  67.5146.7125.5-56.60000121
680S32.9Very low34.1Very low89 Ų89130.1 Ų130.162%0.62277%0.765SS**  cis173.9161.6-19.154.50000107.8
681L35Very low34.6Very low154 Ų154130.3 Ų130.381%0.80676%0.756SS**  trans71.7156.4165.1-45.9179.7000115.7
682I34.6Very low34.9Very low139 Ų139129.9 Ų129.971%0.71375%0.747SS**  cis-161.8161.5-11.2-117.5172.1000112.1
683S34.7Very low35.2Very low111 Ų111126.5 Ų126.578%0.77673%0.728SS**  trans72.8126.4159.2-78.20000124.2
684S33.9Very low35.3Very low111 Ų111121.3 Ų121.378%0.77672%0.718SS**  trans-103.9-178.9145.3-44.30000109.3
685P41.9Very low35.7Very low114 Ų114123.2 Ų123.274%0.7472%0.719SS**  -164.4-177.380.644.2-22.4000119.3
686S36.3Very low35.5Very low113 Ų113119 Ų11979%0.7972%0.72SS**  trans74.4151.4144.2-71.80000122.8
687D38.4Very low35.8Very low112 Ų112117.5 Ų117.560%0.59972%0.719SS**  cis-174.1161.9-17-17419.8000112.9
688K36.7Very low35.9Very low187 Ų187116.3 Ų116.381%0.81372%0.722SS**  trans64.9146.1167-69.5139.4178.9134.80120.9
689G36.1Very low35.9Very low68 Ų68115.5 Ų115.570%0.70172%0.723SS**  cis159.1151.8-15.900000117.3
690Q40.4Very low36.1Very low174 Ų174117.9 Ų117.981%0.81372%0.722SS**  trans75.3154155.3-58.9-168.7100119.5
691I36.8Very low36.1Very low121 Ų121120.9 Ų120.962%0.62173%0.726SS**  cis-164.2151.7-0.8-122.8173.4000115.8
692C36.4Very low36Very low73 Ų73120.3 Ų120.349%0.49372%0.719SS.*  trans53.3141.2153.6-61.90000123.7R307R307-C692 PolarHBondContact NH1-SG 2.88Å
693R36Very low36Very low143 Ų143120.7 Ų120.754%0.5472%0.718SS.*  cis89.2153.240.2-84.4-149.3178.4-169.3-4.7115.5Q306Q306-R693 VanDerWaalsContact OE1-NH1 3.08Å
694A35.4Very low35.9Very low79 Ų79123 Ų12365%0.65372%0.717SS**  cis-176.3-166.9-18.200000107.7
695S35.3Very low35.9Very low114 Ų114125.2 Ų125.280%0.79772%0.715SS**  cis-168.6162.514.7-34.70000112.5
696G33.1Very low35.5Very low87 Ų87127.1 Ų127.190%0.89771%0.714SS**  trans101.2153.6151.600000119.4
697G34.6Very low35.2Very low66 Ų66128 Ų12868%0.6871%0.706SS**  cis164.9159.3-11.300000114.9
698S36.2Very low34.9Very low115 Ų115127.5 Ų127.580%0.80470%0.7SS**  trans61.7152.9159.850.50000120.7
699D35.3Very low34.8Very low146 Ų146125.1 Ų125.178%0.78169%0.691SS**  cis-170.7178.4-21.5-108.6-55.3000112.5
700Q37.8Very low34.6Very low159 Ų159126.8 Ų126.874%0.74368%0.681SS**  trans76.7119.2161.2-75173.341.400119.8
701Q33.2Very low34.1Very low152 Ų152124.8 Ų124.871%0.7168%0.681SS**  78.4147.992.7-69.1-175.126.400114.6
702Q33.9Very low33.8Very low142 Ų142124.1 Ų124.166%0.66469%0.687SS**  cis-157.4158.615.1-135.5172.959.600111.7
703Q33.1Very low33.3Very low148 Ų148126.4 Ų126.469%0.69270%0.703SS**  trans25.2154142.5-66.117618.800122.4
704Q33.4Very low33Very low160 Ų160123.2 Ų123.275%0.74872%0.715SS**  cis-159-163.35.1-126.2172.234.300113.4
705Q33Very low32.6Very low157 Ų157124.6 Ų124.673%0.73472%0.72SS**  trans-81.8-173-170.1-51.9165.85.400112.9
706Q33.5Very low32.2Very low154 Ų154124 Ų12472%0.7272%0.716SS**  cis-163.8-16422.1-147.4176.380.600113.4
707Q31.1Very low32Very low132 Ų132126.7 Ų126.762%0.61772%0.715SS**  trans-57.1155.4-167.3-72.2165.344.100117.2
708Q32.2Very low31.6Very low101 Ų101128.4 Ų128.447%0.47272%0.723SS.*  cis104.3117.721.3-72.7-148.9-8000114.6W132 G133W132-Q708 VanDerWaalsContact C-NE2 3.29Å; W132-Q708 VanDerWaalsContact O-CA 3.28Å; W132-Q708 WeakPolarHBondContact O-CA 3.45Å; W132-Q708 WeakPolarHBondContact O-CB 3.43Å; W132-Q708 WeakPolarHBondContact O-CG 3.38Å; W132-Q708 PolarHBondContact O-NE2 3.25Å; G133-Q708 VanDerWaalsContact N-CB 3.34Å; G133-Q708 CarbonylContact O-C 3.03Å; G133-Q708 WeakPolarHBondContact O-CB 3.44Å
709Q33.2Very low31.5Very low137 Ų137129.1 Ų129.164%0.6472%0.722SS**  trans-166.7-157.2154.1-152.7148.176.500115W132 G133 K134W132-Q709 CarbonylContact C-O 3.28Å; W132-Q709 VanDerWaalsContact C-O 3.28Å; W132-Q709 WeakPolarHBondContact CA-O 3.44Å; G133-Q709 VanDerWaalsContact N-N 3.14Å; G133-Q709 PolarHBondContact N-O 3.41Å; G133-Q709 VanDerWaalsContact O-CA 3.29Å; G133-Q709 WeakPolarHBondContact O-CA 3.41Å; G133-Q709 PolarHBondContact O-N 3.22Å; K134-Q709 PolarHBondContact O-NE2 3.15Å; K134-Q709 VanDerWaalsContact O-NE2 3.17Å
710Q32.9Very low31.4Very low102 Ų102129.8 Ų129.848%0.47773%0.725SS.*  trans-157.3166-169.6-64.1161.9-107.600114.6W132W132-Q710 HydrophobicContact CD2-CG 3.52Å; W132-Q710 HydrophobicContact CE3-CG 3.62Å; W132-Q710 HydrophobicContact CG-CG 3.99Å; W132-Q710 HydrophobicContact CH2-CG 4.32Å; W132-Q710 HydrophobicContact CZ2-CG 4.21Å; W132-Q710 HydrophobicContact CZ3-CG 4.03Å; W132-Q710 VanDerWaalsContact CZ3-NE2 3.27Å; W132-Q710 VanDerWaalsContact CZ3-OE1 3.29Å
711T29.2Very low31.3Very low132 Ų132129.9 Ų129.981%0.8173%0.731SS**  -158.2153.1129.539.90000114
712S30.2Very low31.4Very low107 Ų107130 Ų13075%0.74874%0.736SS**  trans12.6149.3154.951.40000122.7
713S26.5Very low31.8Very low121 Ų121125.8 Ų125.885%0.84673%0.731SS**  cis-176.1157.25.144.70000111.8
714G29.6Very low32.8Very low76 Ų76124.7 Ų124.778%0.78474%0.737SS**  trans156.5119.915500000119.9
715S27.8Very low34Very low109 Ų109121.5 Ų121.576%0.76273%0.73SS**  trans49.594.3144.5-169.40000122.8
716S27.3Very low35.4Very low102 Ų102120.5 Ų120.571%0.71373%0.725SS**  57.6136.9114.1-490000124.2
717T27.5Very low36.8Very low143 Ų143120.2 Ų120.288%0.87772%0.722SS**  trans85.1135.5155.863.30000121.6
718A27.7Very low38.6Very low101 Ų101120.6 Ų120.684%0.83572%0.718SS**  trans67.374.1156.300000120.1
719T32.8Very low40.1Very low130 Ų130121.2 Ų121.280%0.79873%0.73SS**  trans-129.7107.2149.451.50000107.2
720L34.1Very low42Very low161 Ų161119 Ų11984%0.84374%0.744SS**  76.7121.194.4-95.6164.3000112.7D722L720-D722 PolarHBondContact O-N 3.31Å
721D34.1Very low43.7Very low160 Ų160120.5 Ų120.586%0.85675%0.751SS**  trans-57.7114177.2-177.433.7000111
722D36.2Very low45.5Very low154 Ų154122.3 Ų122.382%0.82475%0.748SS**  trans-125.6135.1174.3-116.2-37.2000106.9L720L720-D722 PolarHBondContact O-N 3.31Å
723G42.7Very low46.9Very low54 Ų54123.7 Ų123.756%0.55774%0.737SS**  trans-67.7-173.6-164.400000116.2
724P54Low49Very low126 Ų126124.3 Ų124.382%0.81873%0.726SS**SBendtrans-52.6128.8-176.620.9-33000111.3E726P724-E726 PolarHBondContact O-N 3.43Å
725P57.8Low49.8Very low93 Ų93128.9 Ų128.960%0.60472%0.72SS**  trans-63.9135.5-164.323.1-34000112.2F727P725-F727 PolarHBondContact O-N 2.83Å
726E63.2Low50.7Low136 Ų136134.4 Ų134.464%0.63672%0.724SS**  trans-45.5124.9178.9-179.3-173.2-132.300111.9P724 R728P724-E726 PolarHBondContact O-N 3.43Å; E726-R728 PolarHBondContact O-N 2.98Å; E726-R728 VanDerWaalsContact O-N 3.1Å; E726-R728 IonicContact OE2-CZ 3.25Å; E726-R728 VanDerWaalsContact OE2-CZ 3.24Å; E726-R728 IonicContact OE2-NE 2.99Å; E726-R728 PolarHBondContact OE2-NE 3.23Å; E726-R728 IonicContact OE2-NH2 3.94Å; E726-R728 PolarHBondContact OE2-NH2 3.49Å
727F61.8Low51.3Low147 Ų147134.5 Ų134.565%0.64572%0.717SS**  trans-65.9112.6176177.8-94.7000110.4P725 P729P725-F727 PolarHBondContact O-N 2.83Å; F727-P729 HydrophobicContact CD1-CG 4.39Å; F727-P729 HydrophobicContact CE1-CB 4.49Å; F727-P729 HydrophobicContact CE1-CG 3.98Å
728R70.7Confident52.2Low140 Ų140132 Ų13253%0.52870%0.703SS.*  trans-105.8111.4176.7-70.6-178.7176.5-170.9-1109.9E726 G730 Q731E726-R728 PolarHBondContact O-N 2.98Å; E726-R728 VanDerWaalsContact O-N 3.1Å; E726-R728 IonicContact OE2-CZ 3.25Å; E726-R728 VanDerWaalsContact OE2-CZ 3.24Å; E726-R728 IonicContact OE2-NE 2.99Å; E726-R728 PolarHBondContact OE2-NE 3.23Å; E726-R728 IonicContact OE2-NH2 3.94Å; E726-R728 PolarHBondContact OE2-NH2 3.49Å; R728-G730 PolarHBondContact O-N 3.02Å; R728-Q731 HydrophobicContact CB-CB 4.44Å; R728-Q731 HydrophobicContact CB-CG 4.38Å; R728-Q731 PolarHBondContact O-N 2.69Å
729P62Low53.2Low114 Ų114137.1 Ų137.174%0.7470%0.701SS**THydrogen-bonded Turntrans-51.2128.8175.3-26.133.6000111.1F727F727-P729 HydrophobicContact CD1-CG 4.39Å; F727-P729 HydrophobicContact CE1-CB 4.49Å; F727-P729 HydrophobicContact CE1-CG 3.98Å
730G72.9Confident53.7Low90 Ų90139.6 Ų139.693%0.92870%0.703SS**THydrogen-bonded Turntrans90.8-10.2-177.300000115.9R728R728-G730 PolarHBondContact O-N 3.02Å
731Q69Low54.4Low135 Ų135134.9 Ų134.963%0.63168%0.681SS**SBendtrans-92.4136.5165.8-70.2-161.7-85.700111.2R728 W733R728-Q731 HydrophobicContact CB-CB 4.44Å; R728-Q731 HydrophobicContact CB-CG 4.38Å; R728-Q731 PolarHBondContact O-N 2.69Å; Q731-W733 PolarHBondContact O-N 2.78Å
732K67Low55.2Low170 Ų170132 Ų13274%0.73968%0.679SS**  trans-63.3115.1167.3-179.2-163.3170.2-147.50108.7E734K732-E734 IonicContact NZ-OE1 2.7Å; K732-E734 PolarHBondContact NZ-OE1 3.03Å
733W60.3Low55.9Low136 Ų136133.3 Ų133.352%0.51568%0.68SS.*  trans-73.4126.6175.4-174.857.5000110.5Q731 W735Q731-W733 PolarHBondContact O-N 2.78Å; W733-W735 AromaticContact CH2-CD1 3.89Å; W733-W735 HydrophobicContact CH2-CD2 4.15Å; W733-W735 AromaticContact CH2-CE2 3.43Å; W733-W735 VanDerWaalsContact CH2-CE2 3.43Å; W733-W735 HydrophobicContact CH2-CG 4.41Å; W733-W735 AromaticContact CH2-CZ2 3.71Å; W733-W735 HydrophobicContact CH2-CZ2 3.71Å; W733-W735 AromaticContact CH2-NE1 3.26Å; W733-W735 VanDerWaalsContact CH2-NE1 3.26Å; W733-W735 AromaticContact CZ3-CD1 3.6Å; W733-W735 AromaticContact CZ3-CE2 3.86Å; W733-W735 HydrophobicContact CZ3-CG 4.48Å; W733-W735 HydrophobicContact CZ3-CZ2 4.43Å; W733-W735 AromaticContact CZ3-NE1 3.16Å
734E70.2Confident56.2Low133 Ų133134.6 Ų134.662%0.62167%0.674SS**  trans-108.4112.1175.5-62.5-156.5137.900110.5K732K732-E734 IonicContact NZ-OE1 2.7Å; K732-E734 PolarHBondContact NZ-OE1 3.03Å
735W46.9Very low56.4Low172 Ų172134.4 Ų134.465%0.65267%0.673SS**PPolyproline II helixtrans-58.1134.7163.8-92.8101.6000110.3W733 V741W733-W735 AromaticContact CH2-CD1 3.89Å; W733-W735 HydrophobicContact CH2-CD2 4.15Å; W733-W735 AromaticContact CH2-CE2 3.43Å; W733-W735 VanDerWaalsContact CH2-CE2 3.43Å; W733-W735 HydrophobicContact CH2-CG 4.41Å; W733-W735 AromaticContact CH2-CZ2 3.71Å; W733-W735 HydrophobicContact CH2-CZ2 3.71Å; W733-W735 AromaticContact CH2-NE1 3.26Å; W733-W735 VanDerWaalsContact CH2-NE1 3.26Å; W733-W735 AromaticContact CZ3-CD1 3.6Å; W733-W735 AromaticContact CZ3-CE2 3.86Å; W733-W735 HydrophobicContact CZ3-CG 4.48Å; W733-W735 HydrophobicContact CZ3-CZ2 4.43Å; W733-W735 AromaticContact CZ3-NE1 3.16Å; W735-V741 HydrophobicContact CZ3-CG2 4.21Å
736R47.3Very low56.3Low226 Ų226136.6 Ų136.685%0.85368%0.68SS**PPolyproline II helixtrans-96.5162.7160.3-69-171.4173.7-175.30110.2
737D39.4Very low55.8Low103 Ų103132.4 Ų132.455%0.55167%0.669SS**PPolyproline II helixtrans-58.8132.1-162.4-162.930.2000112.4R739D737-R739 PolarHBondContact O-N 3.03Å; D737-R739 WeakPolarHBondContact OD2-CD 3.37Å; D737-R739 IonicContact OD2-CZ 3.99Å; D737-R739 IonicContact OD2-NE 3.21Å; D737-R739 PolarHBondContact OD2-NE 3.25Å; D737-R739 IonicContact OD2-NH2 3.03Å
738P46.8Very low55.4Low91 Ų91129.9 Ų129.959%0.59167%0.665SS**G310 helixtrans-68.216.6-166.8-23.935.8000117.9E740P738-E740 VanDerWaalsContact C-N 3.3Å; P738-E740 PolarHBondContact O-N 2.79Å
739R47.2Very low53.7Low209 Ų209129.4 Ų129.479%0.78968%0.68SS**G310 helixtrans-75-17.6-172.6-59.3-174.3-169.1-132.8-5.6114.3D737D737-R739 PolarHBondContact O-N 3.03Å; D737-R739 WeakPolarHBondContact OD2-CD 3.37Å; D737-R739 IonicContact OD2-CZ 3.99Å; D737-R739 IonicContact OD2-NE 3.21Å; D737-R739 PolarHBondContact OD2-NE 3.25Å; D737-R739 IonicContact OD2-NH2 3.03Å
740E44.5Very low52.9Low182 Ų182127.6 Ų127.685%0.8568%0.683SS**G310 helixtrans-108.71.1-173.9-67.7165.3174.200112.2P738 A742P738-E740 VanDerWaalsContact C-N 3.3Å; P738-E740 PolarHBondContact O-N 2.79Å; E740-A742 VanDerWaalsContact C-N 3.29Å; E740-A742 PolarHBondContact O-N 2.93Å
741V49.4Very low51.4Low61 Ų61127.6 Ų127.637%0.3767%0.669SS.*G310 helixtrans-80.7-8.2-178.9-172.10000112.6W735 E743 D744W735-V741 HydrophobicContact CZ3-CG2 4.21Å; V741-E743 PolarHBondContact O-N 3.07Å; V741-E743 VanDerWaalsContact O-N 3.11Å; V741-D744 PolarHBondContact O-N 3.22Å
742A49.3Very low50Low99 Ų99126.2 Ų126.282%0.81867%0.669SS**G310 helixtrans-69.6-5-176.700000114.9E740E740-A742 VanDerWaalsContact C-N 3.29Å; E740-A742 PolarHBondContact O-N 2.93Å
743E51.5Low48.5Very low183 Ų183127 Ų12786%0.85567%0.673SS**G310 helixtrans-114.97.3-178.2-58.3-164.9-177.700114.2V741 P745V741-E743 PolarHBondContact O-N 3.07Å; V741-E743 VanDerWaalsContact O-N 3.11Å; E743-P745 VanDerWaalsContact O-CD 3.26Å; E743-P745 WeakPolarHBondContact O-CD 3.46Å
744D50.2Low47.2Very low80 Ų80126.5 Ų126.543%0.42868%0.684SS.*  trans-76.9112.6175.4-179.94.8000111.9V741 N746 A747V741-D744 PolarHBondContact O-N 3.22Å; D744-N746 PolarHBondContact O-N 3.14Å; D744-N746 WeakPolarHBondContact OD1-CB 3.4Å; D744-N746 PolarHBondContact OD1-N 3.41Å; D744-A747 HydrophobicContact CB-CB 4.15Å; D744-A747 WeakPolarHBondContact O-CB 3.41Å; D744-A747 PolarHBondContact O-N 3.46Å
745P56.4Low45.3Very low123 Ų123124.4 Ų124.480%0.79968%0.684SS**THydrogen-bonded Turntrans-72.8-8.3-179.833-37.5000114.1E743E743-P745 VanDerWaalsContact O-CD 3.26Å; E743-P745 WeakPolarHBondContact O-CD 3.46Å
746N56.8Low44.3Very low138 Ų138121 Ų12174%0.73869%0.694SS**THydrogen-bonded Turntrans-95.7-1.4173.6-67.7-48000113.2D744 T748D744-N746 PolarHBondContact O-N 3.14Å; D744-N746 WeakPolarHBondContact OD1-CB 3.4Å; D744-N746 PolarHBondContact OD1-N 3.41Å; N746-T748 PolarHBondContact O-N 3Å
747A51.6Low43.5Very low49 Ų49117.4 Ų117.441%0.40569%0.69SS.*  trans-71.789.2-179.800000111.7D744D744-A747 HydrophobicContact CB-CB 4.15Å; D744-A747 WeakPolarHBondContact O-CB 3.41Å; D744-A747 PolarHBondContact O-N 3.46Å
748T53.8Low42.9Very low93 Ų93116.7 Ų116.757%0.57169%0.692SS**  trans-55.9127.8177.9-44.50000111.2N746 G750 S751N746-T748 PolarHBondContact O-N 3Å; T748-G750 PolarHBondContact O-N 3.44Å; T748-G750 VanDerWaalsContact O-N 3.16Å; T748-S751 VanDerWaalsContact O-CB 3.23Å; T748-S751 WeakPolarHBondContact O-CB 3.22Å; T748-S751 PolarHBondContact O-N 3.45Å
749P35.6Very low42Very low130 Ų130120.8 Ų120.884%0.84471%0.709SS**THydrogen-bonded Turntrans-53.7121.8175.2-27.235.6000111.3
750G45.9Very low41.2Very low77 Ų77114.6 Ų114.679%0.79469%0.694SS**THydrogen-bonded Turntrans93-8.5-175.900000116.2T748 V752T748-G750 PolarHBondContact O-N 3.44Å; T748-G750 VanDerWaalsContact O-N 3.16Å; G750-V752 VanDerWaalsContact C-N 3.25Å; G750-V752 PolarHBondContact O-N 3.27Å
751S41.5Very low40.5Very low90 Ų90116.7 Ų116.763%0.62969%0.694SS**  trans-68-25173.9-170.90000112.9T748 K753T748-S751 VanDerWaalsContact O-CB 3.23Å; T748-S751 WeakPolarHBondContact O-CB 3.22Å; T748-S751 PolarHBondContact O-N 3.45Å; S751-K753 VanDerWaalsContact C-N 3.3Å; S751-K753 PolarHBondContact O-N 3.23Å
752V39.4Very low39.6Very low106 Ų106121.4 Ų121.464%0.64272%0.717SS**SBendtrans-72.584.8173.7-169.60000109.6G750 T754G750-V752 VanDerWaalsContact C-N 3.25Å; G750-V752 PolarHBondContact O-N 3.27Å; V752-T754 VanDerWaalsContact C-N 3.29Å; V752-T754 HydrophobicContact CG1-CG2 4.26Å; V752-T754 PolarHBondContact O-N 3.39Å
753K35.1Very low38.6Very low187 Ų187122.8 Ų122.881%0.81372%0.72SS**  trans-65.289.2171.9-173.3173.9-176.81740109.5S751 S755S751-K753 VanDerWaalsContact C-N 3.3Å; S751-K753 PolarHBondContact O-N 3.23Å; K753-S755 PolarHBondContact O-N 3.31Å
754T33.6Very low37.4Very low124 Ų124116.5 Ų116.576%0.76170%0.704SS**  trans-67.582.3172.741.70000110.1V752 A756V752-T754 VanDerWaalsContact C-N 3.29Å; V752-T754 HydrophobicContact CG1-CG2 4.26Å; V752-T754 PolarHBondContact O-N 3.39Å; T754-A756 PolarHBondContact O-N 3.35Å
755S28.9Very low36.5Very low89 Ų89120.2 Ų120.262%0.62272%0.724SS**  trans-41.5131.5157.4-65.40000108.6K753 I757K753-S755 PolarHBondContact O-N 3.31Å; S755-I757 VanDerWaalsContact C-N 3.3Å; S755-I757 PolarHBondContact O-N 2.96Å
756A27Very low35.1Very low102 Ų102119 Ų11984%0.84372%0.718SS**  trans-66.982.3-165.300000113T754 S758T754-A756 PolarHBondContact O-N 3.35Å; A756-S758 PolarHBondContact O-N 3.08Å
757I29.3Very low33.9Very low150 Ų150119.8 Ų119.877%0.76972%0.715SS**  trans-76.8103.6171.2-64170.5000107S755 L759S755-I757 VanDerWaalsContact C-N 3.3Å; S755-I757 PolarHBondContact O-N 2.96Å; I757-L759 PolarHBondContact O-N 3.43Å
758S26.5Very low33Very low87 Ų87123.6 Ų123.661%0.60873%0.728SS**  trans-54106.3178.8-54.40000111.5A756 T760A756-S758 PolarHBondContact O-N 3.08Å; S758-T760 PolarHBondContact O-N 3.35Å
759L29.4Very low31.7Very low178 Ų178122.8 Ų122.893%0.93273%0.726SS**  trans-71.575.7171.3-82168.7000109.8I757I757-L759 PolarHBondContact O-N 3.43Å
760T29Very low31.3Very low79 Ų79121.2 Ų121.249%0.48572%0.724SS.*  trans-130.982.3-178.3-49.50000110.5S758S758-T760 PolarHBondContact O-N 3.35Å
761R30.5Very low30.4Very low226 Ų226122.1 Ų122.185%0.85373%0.725SS**  trans72.1137.9169.5-49.8174.8-178-179.81116.6
762L31.4Very low29.7Very low160 Ų160124.1 Ų124.184%0.83873%0.733SS**  -160.891.9124.9-105.1176.5000110.3G764L762-G764 WeakPolarHBondContact CD2-O 3.47Å
763S27.6Very low29.3Very low127 Ų127125.2 Ų125.289%0.88874%0.739SS**  trans-119.5115.3159.7-66.30000106.4
764G26.9Very low29Very low51 Ų51120.9 Ų120.953%0.52673%0.733SS.*  trans71.3160.3-166.200000112.5L762L762-G764 WeakPolarHBondContact CD2-O 3.47Å
765D29.7Very low28.7Very low158 Ų158119.4 Ų119.485%0.84573%0.727SS**  cis-158-174.311.9-142.3-37.3000111.5
766S28.4Very low28.6Very low97 Ų97123.7 Ų123.768%0.67874%0.737SS**  trans-102.8155.5-175.1-55.10000115
767K31.3Very low28.9Very low155 Ų155123.4 Ų123.467%0.67474%0.735SS**  trans111.5113.5149.3-70.8-173.6176.6179.30120.4S375 L376S375-K767 CarbonylContact O-C 3.22Å; S375-K767 VanDerWaalsContact O-C 3.22Å; S375-K767 WeakPolarHBondContact O-CA 3.34Å; S375-K767 PolarHBondContact O-N 3.17Å; L376-K767 CarbonylContact O-C 3.09Å; L376-K767 VanDerWaalsContact O-O 3.14Å
768L31.5Very low29Very low130 Ų130123 Ų12368%0.68174%0.739SS**  trans95.4118131.3-70.8165.5000121.4G374 S375 L376G374-L768 PolarHBondContact O-N 3.48Å; S375-L768 PolarHBondContact O-N 3.02Å; S375-L768 VanDerWaalsContact O-N 3.15Å; L376-L768 PolarHBondContact O-N 3.29Å
769S27.5Very low29.6Very low75 Ų75124.1 Ų124.152%0.52474%0.744SS.*  trans-175.4142.6134.758.30000110
770A27.4Very low29.6Very low97 Ų97123.9 Ų123.980%0.80274%0.744SS**  cis-173.4139.9-23.700000108.3
771A26.9Very low29.5Very low97 Ų97123.2 Ų123.280%0.80275%0.752SS**  trans-179.8122.1154.200000114.5
772V25.8Very low29.5Very low132 Ų132117.1 Ų117.180%0.875%0.75SS**  trans30.8118.1140.3-166.30000121.3
773V31.9Very low29.3Very low129 Ų129114.1 Ų114.178%0.78275%0.749SS**  trans163.7100.4133.5154.90000105.2
774S27.4Very low29.4Very low96 Ų96112.9 Ų112.967%0.67175%0.746SS**  56.2119.481.8-59.80000112.3
775S28.2Very low29.7Very low93 Ų93114.9 Ų114.965%0.6576%0.757SS**  cis-167.5149.618.2-1070000113.1
776H27.8Very low29.8Very low179 Ų179112.6 Ų112.683%0.82976%0.76SS**  trans66.5168140.8-73.570.1000121.8
777A31.7Very low30Very low96 Ų96111.9 Ų111.979%0.79377%0.768SS**  trans77.7136.8172.600000117.7
778V31.1Very low30.1Very low141 Ų141107.8 Ų107.886%0.85577%0.771SS**  trans-130.6-167.2179.7-145.60000108.3
779P40Very low30.1Very low111 Ų111108.3 Ų108.372%0.72178%0.779SS**  trans-92.1169-132.742.5-30.9000114.7
780D28.5Very low30.3Very low173 Ų173111.6 Ų111.693%0.92579%0.79SS**  trans-169.5-178.7130.4-129.5-38.1000112.3
781G28.5Very low30.7Very low64 Ų64118.1 Ų118.166%0.6680%0.795SS**  trans110.563.5140.400000121
782A29.6Very low31Very low98 Ų98117.4 Ų117.481%0.8178%0.784SS**  trans25.3127.7134.500000124
783A28.3Very low31.6Very low98 Ų98117.4 Ų117.481%0.8179%0.787SS**  85.8151.5122.400000124.4
784A29.7Very low31.8Very low100 Ų100116.1 Ų116.183%0.82678%0.784SS**  trans72.3147.4154.800000120
785A31.8Very low32.2Very low93 Ų93117.7 Ų117.777%0.76979%0.79SS**  cis-167.9164.8-19.800000112.1
786A32.9Very low32.6Very low110 Ų110120.8 Ų120.891%0.90980%0.796SS**  trans66.5148.4162.200000119.3
787G31.8Very low32.8Very low82 Ų82119.4 Ų119.485%0.84579%0.794SS**  cis174.3158.4-800000113.8
788G33.6Very low33Very low70 Ų70120.6 Ų120.672%0.72279%0.791SS**  trans126.4100178.400000112.9
789V32.9Very low33.1Very low140 Ų140120 Ų12085%0.84879%0.788SS**  cis74.8123.942.1-176.20000112.1
790L30.6Very low32.8Very low144 Ų144119.1 Ų119.175%0.75478%0.784SS**  cis-171152-19.6-122.1171.8000107.3
791Y36.3Very low32.8Very low234 Ų234115.9 Ų115.992%0.91878%0.775SS**  trans-175.9145138.9-106-66.9000112.1
792S32.6Very low33Very low82 Ų82117.3 Ų117.357%0.57378%0.78SS**  trans-160.4165.2178.2177.10000108.6
793P39.4Very low33.3Very low132 Ų132119 Ų11986%0.85778%0.781SS**  -139.7165.4118.736.8-24.5000115.4
794S34.3Very low33.9Very low103 Ų103119.9 Ų119.972%0.7278%0.779SS**  trans-118.2171.3-170.7-40.20000113.3
795T37.4Very low34Very low129 Ų129125 Ų12579%0.79178%0.782SS**  trans170.6141.7143.824.50000109.3
796M36.6Very low34.1Very low157 Ų157125.7 Ų125.777%0.77378%0.781SS**  cis-140141.9-11.1-80.5-158.5179.700107.4
797L32.3Very low33.9Very low151 Ų151129 Ų12979%0.79177%0.771SS**  59.4136.975.5-58.9174.5000114.3
798T34.4Very low34Very low121 Ų121134 Ų13474%0.74277%0.766SS**  cis-150.4-174.73.1-11.70000108.2
799V34.4Very low33.8Very low128 Ų128136.9 Ų136.978%0.77677%0.765SS**  cis-155.1-176.512.3-116.60000106.5
800S32.3Very low33.7Very low93 Ų93133 Ų13365%0.6574%0.744SS**  cis-161.4144.1-1.3-117.60000107.6
801S29.7Very low33.8Very low105 Ų105134.6 Ų134.673%0.73475%0.745SS**  46.2132.18780.20000117.6
802A32.2Very low33.8Very low93 Ų93131.1 Ų131.177%0.76974%0.741SS**  cis-168.8-170.6-11.500000107.3
803T36.8Very low33.8Very low133 Ų133132 Ų13282%0.81675%0.746SS**  cis-149.7173.712.7590000111.2
804P40.2Very low33.1Very low118 Ų118133.2 Ų133.277%0.76675%0.746SS**  trans-124.6152.8177.839.8-28.2000116.5
805K32.4Very low33Very low208 Ų208136.6 Ų136.690%0.90476%0.755SS**  trans176.7159.7150.2-110.4167.4-1771770115.9
806S32.6Very low32.5Very low107 Ų107135.6 Ų135.675%0.74875%0.753SS**  trans74.1137145.3-170.20000119.2
807Y29.5Very low32.4Very low179 Ų179133.6 Ų133.670%0.70275%0.752SS**  cis-172165.6-21.3-129.5-81.1000108
808Y33.1Very low32.1Very low187 Ų187133.3 Ų133.373%0.73375%0.751SS**  trans67149.1159-71.1-53.4000119.1
809D29.8Very low31.9Very low130 Ų130135.3 Ų135.370%0.69576%0.756SS**  cis-149.1158.2-17-161.215.7000113.6
810S31.5Very low31.5Very low58 Ų58135.3 Ų135.341%0.40676%0.756SS.*  trans21.1124.5149.5-680000123.4
811K31.2Very low31.3Very low179 Ų179137.7 Ų137.778%0.77876%0.761SS**  51.3116.3118-50.1163.3-164125.40119.1
812I37.1Very low31.1Very low161 Ų161139.6 Ų139.683%0.82676%0.763SS**  -166.8101.3126.9-99.2149.9000105.3
813S32.5Very low31Very low99 Ų99138.6 Ų138.669%0.69276%0.762SS**  86127.188.1-64.10000113.2
814N25.5Very low30.5Very low159 Ų159144.4 Ų144.485%0.8577%0.769SS**  trans-49.6132.8-176.4-48.5-76.4000114.5
815L32.1Very low29.8Very low173 Ų173144.5 Ų144.591%0.90677%0.773SS**  trans-140.1133.9143.1-84108.7000109.5
816S26.2Very low29.6Very low109 Ų109138.6 Ų138.676%0.76276%0.763SS**  trans-110.2-173.7173.9-53.10000109.4
817P35.2Very low29.3Very low114 Ų114142.8 Ų142.874%0.7477%0.767SS**  -92.4-153.6-88.940.7-30.1000111.7
818N24.5Very low29.3Very low146 Ų146140.1 Ų140.178%0.78178%0.775SS**  trans67.6101.7179.9-73.2-25.6000116.8
819I30.3Very low29.2Very low162 Ų162137.5 Ų137.583%0.83178%0.778SS**  trans-128117.9130.3-67.2-174.2000107.4N821I819-N821 HydrophobicContact CG2-CB 4.42Å
820V26.6Very low29.3Very low129 Ų129140.7 Ų140.778%0.78278%0.78SS**  trans-78.2134.2160.7175.80000106.9
821N28.4Very low29.4Very low143 Ų143143.2 Ų143.277%0.76580%0.796SS**  trans-154.3150.7162.1-146.112.6000111.7I819I819-N821 HydrophobicContact CG2-CB 4.42Å
822D25.8Very low29.2Very low144 Ų144140.6 Ų140.677%0.7780%0.797SS**  trans-73.9154.3-168.3-64.1-81.9000114.9
823G29.3Very low28.7Very low73 Ų73136.3 Ų136.375%0.75379%0.786SS**  trans-160.853.3-172.500000115.1S825G823-S825 PolarHBondContact O-N 3.3Å
824W25.8Very low28.4Very low255 Ų255140 Ų14097%0.96679%0.792SS**  trans-65.6100.7171-80.747.7000111.4
825S27Very low28.4Very low120 Ų120137.8 Ų137.884%0.83979%0.789SS**  trans-161.2151.7153.9-148.70000113.4G823G823-S825 PolarHBondContact O-N 3.3Å
826A27.3Very low28.3Very low84 Ų84137.4 Ų137.469%0.69479%0.787SS**  trans-80.4127.3-175.700000113
827K27.2Very low28.3Very low194 Ų194138.5 Ų138.584%0.84378%0.784SS**  trans-173.2117.4139.9-95.9137.3-164.6168.70110V829K827-V829 PolarHBondContact O-N 3.14Å; K827-V829 VanDerWaalsContact O-N 3.14Å
828S28.6Very low27.9Very low124 Ų124141.8 Ų141.887%0.86779%0.792SS**  trans-65.9111.4164.9-179.90000108.6R830S828-R830 PolarHBondContact O-N 3.07Å; S828-R830 VanDerWaalsContact O-N 3.14Å
829V31.1Very low27.9Very low131 Ų131137 Ų13779%0.79477%0.772SS**  trans-74.6104.2179.9177.20000108K827K827-V829 PolarHBondContact O-N 3.14Å; K827-V829 VanDerWaalsContact O-N 3.14Å
830R31.4Very low27.8Very low197 Ų197139.5 Ų139.574%0.74377%0.773SS**  trans-51.9140.5167.8-67.6179.9171.6-179.2-3.9109.1S828S828-R830 PolarHBondContact O-N 3.07Å; S828-R830 VanDerWaalsContact O-N 3.14Å
831P33.5Very low28Very low112 Ų112143.6 Ų143.673%0.72778%0.781SS**SBendtrans-53.6141.7154.827.6-33.8000107.6A833P831-A833 PolarHBondContact O-N 3.14Å
832P27.8Very low28Very low124 Ų124143.7 Ų143.781%0.80578%0.781SS**  trans-57.1110.8-167.822-33.4000109.9Q834P832-Q834 PolarHBondContact O-N 3.23Å
833A25.7Very low28.3Very low71 Ų71148.1 Ų148.159%0.58779%0.787SS**  trans-64.3103.8178.500000107.5P831 S835P831-A833 PolarHBondContact O-N 3.14Å; A833-S835 PolarHBondContact O-N 2.87Å
834Q28.2Very low28.4Very low177 Ų177148 Ų14883%0.82779%0.786SS**  trans-56.5115.2165.9-75.9-170.7-17.900106.7P832 L836P832-Q834 PolarHBondContact O-N 3.23Å; Q834-L836 PolarHBondContact O-N 3.48Å
835S25.1Very low28.7Very low111 Ų111142.3 Ų142.378%0.77678%0.782SS**  trans-7281.8-176.854.60000109.2A833 N837A833-S835 PolarHBondContact O-N 2.87Å; S835-N837 PolarHBondContact O-N 3.39Å
836L29.8Very low29.1Very low165 Ų165148.6 Ų148.686%0.86479%0.787SS**  trans-65.286.2159.5-70.2-178.1000107.1Q834 M838Q834-L836 PolarHBondContact O-N 3.48Å; L836-M838 PolarHBondContact O-N 3.31Å
837N26.9Very low29.1Very low132 Ų132153.5 Ų153.571%0.70680%0.798SS**  trans-56.2127.5-178.4-172.55.8000109.1S835 A839S835-N837 PolarHBondContact O-N 3.39Å; N837-A839 HydrophobicContact CB-CB 4.39Å; N837-A839 PolarHBondContact O-N 3.45Å
838M25Very low29.4Very low183 Ų183151 Ų15190%0.90180%0.799SS**SBendtrans-7567.5175.9-110-89.368.700109.4L836L836-M838 PolarHBondContact O-N 3.31Å
839A26.2Very low29.3Very low46 Ų46150.4 Ų150.438%0.3880%0.795SS.*  trans-142.4107.7-172.300000110.3N837N837-A839 HydrophobicContact CB-CB 4.39Å; N837-A839 PolarHBondContact O-N 3.45Å
840Y26.7Very low29.3Very low214 Ų214148.7 Ų148.784%0.83979%0.789SS**  trans47.9110.2160.6-63-98.5000118.1
841F30.4Very low29.4Very low216 Ų216150.2 Ų150.295%0.94780%0.796SS**  -151.1100.3117.4-103.8-64.8000111.3
842N29.1Very low29.2Very low145 Ų145149.2 Ų149.278%0.77580%0.797SS**  trans-99.4150.7170.9-143.9-40000108.5
843R32.2Very low29.3Very low236 Ų236150.1 Ų150.189%0.89180%0.795SS**SBendtrans69.1116.1180-57.3178.6169.3-176.9-3.5118.9
844G31.1Very low29.5Very low72 Ų72153.1 Ų153.174%0.74280%0.802SS**  104.4121.4115.600000117.7
845P32.4Very low29.9Very low134 Ų134149.5 Ų149.587%0.8780%0.802SS**  trans-82.3142.6174.533.5-33.8000112.2
846R34.6Very low30Very low252 Ų252153.1 Ų153.195%0.95181%0.807SS**  trans-147.5131.9161.1-127179.6-177.8-164.4-1.4110.8
847M28.3Very low30.1Very low187 Ų187155 Ų15592%0.92181%0.808SS**  trans-81.5134.7179-52.8177.3-168.600111.1
848V34.3Very low30.3Very low143 Ų143157.1 Ų157.187%0.86782%0.816SS**  trans-145.6137.7139.5-175.30000107.3
849S26.5Very low30.4Very low111 Ų111154.2 Ų154.278%0.77681%0.811SS**  trans-116134.1170.3175.50000109.2
850S31.2Very low30.8Very low95 Ų95158.1 Ų158.166%0.66483%0.825SS**  trans-174.6115.5158.8-90.20000114
851Y31.8Very low31.2Very low228 Ų228151.5 Ų151.589%0.89481%0.81SS**  trans58.8157.5147.8-62.8-78000121
852A29.5Very low31.8Very low91 Ų91146.7 Ų146.775%0.75280%0.8SS**  trans-141.6158.2-167.700000111.9
853N31.4Very low32.5Very low144 Ų144142.4 Ų142.477%0.7779%0.785SS**  trans-163.5143.5136.3-117.7-46.3000115.3
854N28.5Very low33.4Very low134 Ų134133.8 Ų133.872%0.71776%0.758SS**  trans4394.9151.1-65.3-25.8000121.7
855A36.5Very low34.8Very low101 Ų101134.9 Ų134.984%0.83574%0.744SS**  -145.7139.711500000109F857A855-F857 PolarHBondContact O-N 3.01Å
856Q27.6Very low37.2Very low187 Ų187131.5 Ų131.587%0.87472%0.717SS**  trans-88.9103.8-166.1-70178.1-15.900113.5
857F31.2Very low40.1Very low203 Ų203120.7 Ų120.789%0.8968%0.676SS**  trans-121.2120.3147.7-105-94.4000107.4A855 P859A855-F857 PolarHBondContact O-N 3.01Å; F857-P859 WeakPolarHBondContact O-CD 3.26Å
858M31.2Very low43.2Very low178 Ų178111.8 Ų111.888%0.87763%0.632SS**  trans-71.1127176.5-83.7-165150.200110.2L860M858-L860 PolarHBondContact O-N 2.98Å
859P27.9Very low46Very low122 Ų122105 Ų10579%0.79259%0.591SS**  trans-67.4114.8165.228.6-31.3000108F857 S861F857-P859 WeakPolarHBondContact O-CD 3.26Å; P859-S861 PolarHBondContact O-N 3.23Å
860L34.7Very low49.2Very low128 Ų12899.8 Ų99.867%0.6755%0.554SS**  trans-56.8134.4170.1-73.6168.1000108.9M858 T864M858-L860 PolarHBondContact O-N 2.98Å; L860-T864 HydrophobicContact CB-CG2 4.35Å
861S33.7Very low52Low75 Ų7598.4 Ų98.452%0.52454%0.539SS..  trans-51139.1-177.61770000111.1P859 A863 T864P859-S861 PolarHBondContact O-N 3.23Å; S861-A863 PolarHBondContact O-N 2.84Å; S861-T864 PolarHBondContact O-N 2.8Å; S861-T864 PolarHBondContact O-OG1 2.81Å
862P43.6Very low54.6Low114 Ų11490.9 Ų90.974%0.7451%0.514SS*.G310 helixtrans-58.3-11.6-174.821.8-33.8000115.1T864P862-T864 PolarHBondContact O-N 3.04Å
863A43.9Very low57.3Low56 Ų5686.6 Ų86.646%0.46348%0.479SS..G310 helixtrans-61.6-19.5167.900000114.5S861 Q865S861-A863 PolarHBondContact O-N 2.84Å; A863-Q865 VanDerWaalsContact C-N 3.32Å; A863-Q865 PolarHBondContact O-N 3.07Å
864T51.2Low59.8Low54 Ų5485.9 Ų85.933%0.33147%0.471SS..G310 helixtrans-85.46.3-177.870.20000114.6L860 S861 P862L860-T864 HydrophobicContact CB-CG2 4.35Å; S861-T864 PolarHBondContact O-N 2.8Å; S861-T864 PolarHBondContact O-OG1 2.81Å; P862-T864 PolarHBondContact O-N 3.04Å
865Q60.9Low62.2Low96 Ų9684.2 Ų84.245%0.44946%0.461SS..G310 helixtrans-121.418.2-169.8-64.9-151.335.100115.7A863 K906A863-Q865 VanDerWaalsContact C-N 3.32Å; A863-Q865 PolarHBondContact O-N 3.07Å; Q865-K906 VanDerWaalsContact C-CE 3.48Å; Q865-K906 WeakPolarHBondContact O-CE 3.47Å; Q865-K906 PolarHBondContact O-NZ 3.41Å; Q865-K906 VanDerWaalsContact O-NZ 3.09Å
866Q83.5Confident64.5Low62 Ų6280.1 Ų80.129%0.2943%0.426SS..  trans-78.2144.8171.8-64.4176.910.300111.4A912 L932Q866-A912 HydrophobicContact CB-CB 3.78Å; Q866-L932 HydrophobicContact CB-CD2 4.36Å
867W93.7Very high67.3Low25 Ų2575 Ų7510%0.09540%0.404CS..EExtended strand (participates in β ladder)trans-87.9157167.6-68.279.3000110.2A893 V895 A904 V905 K906 L932 A933 D935 V938W867-A893 HydrophobicContact CH2-CB 3.61Å; W867-A893 HydrophobicContact CZ2-CB 4.28Å; W867-A893 HydrophobicContact CZ3-CB 4.15Å; W867-V895 HydrophobicContact CH2-CG2 3.87Å; W867-V895 HydrophobicContact CZ3-CG2 4.02Å; W867-A904 HydrophobicContact CE3-CB 3.7Å; W867-A904 HydrophobicContact CZ3-CB 4.06Å; W867-V905 WeakPolarHBondContact CA-O 3.37Å; W867-V905 VanDerWaalsContact CE3-C 3.45Å; W867-K906 HydrophobicContact CD2-CB 3.91Å; W867-K906 HydrophobicContact CD2-CD 4.28Å; W867-K906 HydrophobicContact CD2-CG 4.39Å; W867-K906 HydrophobicContact CE3-CB 3.87Å; W867-K906 HydrophobicContact CG-CB 4.46Å; W867-K906 HydrophobicContact CH2-CB 4.37Å; W867-K906 HydrophobicContact CZ2-CB 4.41Å; W867-K906 HydrophobicContact CZ2-CD 4.17Å; W867-K906 HydrophobicContact CZ3-CB 4.11Å; W867-L932 WeakPolarHBondContact O-CA 3.25Å; W867-A933 PolarHBondContact N-O 3.45Å; W867-A933 PolarHBondContact O-N 2.87Å; W867-D935 PolarHBondContact NE1-OD1 3.19Å; W867-V938 HydrophobicContact CB-CG2 3.69Å; W867-V938 HydrophobicContact CD2-CB 4.48Å; W867-V938 HydrophobicContact CD2-CG1 4.26Å; W867-V938 HydrophobicContact CD2-CG2 4.02Å; W867-V938 HydrophobicContact CE3-CG1 4.44Å; W867-V938 HydrophobicContact CG-CB 4.41Å; W867-V938 HydrophobicContact CG-CG2 3.6Å
868I94Very high70.1Confident1 Ų169.3 Ų69.31%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-104.6124.5158.7-53.6176.3000107.6A904 V905 F907 A912 A915 L916 L919 A930 H931 L932I868-A904 WeakPolarHBondContact O-CA 3.28Å; I868-V905 HydrophobicContact CB-CG1 4.02Å; I868-V905 PolarHBondContact N-O 3.49Å; I868-V905 PolarHBondContact O-N 2.9Å; I868-F907 HydrophobicContact CD1-CD2 4.38Å; I868-F907 HydrophobicContact CD1-CE2 4.07Å; I868-A912 HydrophobicContact CG1-CB 4.42Å; I868-A915 HydrophobicContact CD1-CB 3.75Å; I868-L916 HydrophobicContact CD1-CB 3.99Å; I868-L916 HydrophobicContact CG2-CD1 4.12Å; I868-L919 HydrophobicContact CD1-CD2 4.34Å; I868-L919 HydrophobicContact CG2-CD2 3.67Å; I868-A930 HydrophobicContact CG2-CB 4.24Å; I868-H931 CarbonylContact C-O 3.51Å; I868-H931 WeakPolarHBondContact CA-O 3.38Å; I868-L932 HydrophobicContact CG1-CD2 4.13Å
869V93.8Very high72.8Confident0 Ų068.4 Ų68.40%037%0.374CS..EExtended strand (participates in β ladder)trans-105.8133.5175.5175.50000109.3L871 F902 A903 A904 A930 H931 A933 V938 L941V869-L871 HydrophobicContact CG1-CD2 4.18Å; V869-F902 HydrophobicContact CG1-CD2 4.41Å; V869-A903 CarbonylContact C-O 3.55Å; V869-A903 WeakPolarHBondContact CA-O 3.27Å; V869-A904 HydrophobicContact CG2-CB 4.1Å; V869-A930 CarbonylContact O-C 3.57Å; V869-A930 WeakPolarHBondContact O-CA 3.39Å; V869-H931 VanDerWaalsContact CG1-CE1 3.44Å; V869-H931 WeakPolarHBondContact CG1-CE1 3.4Å; V869-H931 PolarHBondContact N-O 2.83Å; V869-H931 PolarHBondContact O-N 3.45Å; V869-H931 PolarHBondContact O-ND1 2.9Å; V869-A933 HydrophobicContact CB-CB 4.39Å; V869-A933 HydrophobicContact CG2-CB 3.58Å; V869-V938 HydrophobicContact CG2-CG2 3.62Å; V869-L941 HydrophobicContact CG1-CD1 3.89Å; V869-L941 HydrophobicContact CG2-CD1 4.32Å
870L93.3Very high75.8Confident1 Ų165.7 Ų65.71%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-108.8125.3176.2-71.6163.3000109.5L881 F885 F902 A903 L919 C923 L928 T929 A930L870-L881 HydrophobicContact CD1-CD2 4.04Å; L870-F885 HydrophobicContact CD1-CE1 3.72Å; L870-F885 HydrophobicContact CD1-CZ 3.54Å; L870-F902 CarbonylContact O-C 3.6Å; L870-F902 WeakPolarHBondContact O-CA 3.44Å; L870-F902 VanDerWaalsContact O-CB 3.32Å; L870-F902 WeakPolarHBondContact O-CB 3.47Å; L870-A903 HydrophobicContact CB-CB 4.28Å; L870-A903 HydrophobicContact CD1-CB 4.45Å; L870-A903 PolarHBondContact N-O 3.43Å; L870-A903 PolarHBondContact O-N 3.16Å; L870-L919 HydrophobicContact CD2-CD2 4.12Å; L870-L919 HydrophobicContact CG-CD2 4.49Å; L870-C923 HydrophobicContact CD2-CB 4.16Å; L870-C923 WeakPolarHBondContact CD2-SG 3.48Å; L870-L928 HydrophobicContact CD2-CB 4.13Å; L870-L928 HydrophobicContact CD2-CD1 4.47Å; L870-T929 WeakPolarHBondContact CA-O 3.4Å; L870-A930 HydrophobicContact CD2-CB 3.6Å
871L90.9Very high78.5Confident67 Ų6759.6 Ų59.635%0.35132%0.324SS..EExtended strand (participates in β ladder)trans-98.5160.4170.1-52.8176.9000109.8V869 A873 F902 T929V869-L871 HydrophobicContact CG1-CD2 4.18Å; L871-A873 VanDerWaalsContact C-N 3.25Å; L871-A873 PolarHBondContact O-N 2.87Å; L871-F902 HydrophobicContact CD2-CB 4.18Å; L871-T929 PolarHBondContact N-O 2.86Å; L871-T929 PolarHBondContact O-N 2.99Å; L871-T929 VanDerWaalsContact O-N 3.16Å
872N86.4Confident81.1Confident69 Ų6960.5 Ų60.537%0.36932%0.32SS..  trans65.919.5-171.5-54.5-22.7000114.8H874 L875 G901 G927 L928N872-H874 PolarHBondContact O-N 2.92Å; N872-L875 HydrophobicContact CB-CD1 4.42Å; N872-L875 PolarHBondContact O-N 2.81Å; N872-L875 VanDerWaalsContact O-N 3.12Å; N872-G901 PolarHBondContact N-O 2.8Å; N872-G901 VanDerWaalsContact N-O 3.15Å; N872-G927 PolarHBondContact ND2-O 2.98Å; N872-G927 VanDerWaalsContact ND2-O 3.14Å; N872-L928 VanDerWaalsContact C-CD2 3.42Å; N872-L928 HydrophobicContact CB-CD2 4.31Å; N872-L928 VanDerWaalsContact O-CD2 3.27Å; N872-L928 WeakPolarHBondContact O-CD2 3.05Å
873A85Confident83.3Confident1 Ų161.5 Ų61.51%0.00831%0.312CS..THydrogen-bonded Turntrans-68.715.5178.600000114.3L871 L875 L881 F896 G901 A903 L928L871-A873 VanDerWaalsContact C-N 3.25Å; L871-A873 PolarHBondContact O-N 2.87Å; A873-L875 VanDerWaalsContact C-N 3.34Å; A873-L881 HydrophobicContact CB-CD1 4.44Å; A873-F896 HydrophobicContact CB-CE2 3.99Å; A873-F896 WeakPolarHBondContact O-CE2 3.44Å; A873-G901 PolarHBondContact N-O 3.3Å; A873-A903 HydrophobicContact CB-CB 4.09Å; A873-L928 HydrophobicContact CB-CD2 4.43Å
874H83.7Confident85.5Confident130 Ų13059.2 Ų59.260%0.60229%0.292SS*.THydrogen-bonded Turntrans-82.2-14.1165.261.3-95.4000112.5N872N872-H874 PolarHBondContact O-N 2.92Å
875L78.7Confident87.4Confident98 Ų9856.7 Ų56.751%0.51328%0.277SS..SBendtrans-85.9-7.6178.1-60.4176.2000113.6N872 A873N872-L875 HydrophobicContact CB-CD1 4.42Å; N872-L875 PolarHBondContact O-N 2.81Å; N872-L875 VanDerWaalsContact O-N 3.12Å; A873-L875 VanDerWaalsContact C-N 3.34Å
876V84.7Confident88.7Confident16 Ų1656.2 Ų56.210%0.09728%0.284CS..SBendtrans-139.5138.3-170.2-1720000109.7T880 L881 I926 L928V876-T880 HydrophobicContact CG1-CG2 3.55Å; V876-L881 HydrophobicContact CB-CD2 4.39Å; V876-L881 HydrophobicContact CB-CG 4.39Å; V876-L881 HydrophobicContact CG1-CD2 4.01Å; V876-L881 HydrophobicContact CG1-CG 3.9Å; V876-I926 HydrophobicContact CG2-CG2 3.45Å; V876-I926 VanDerWaalsContact CG2-CG2 3.45Å; V876-L928 HydrophobicContact CB-CD1 4.5Å; V876-L928 HydrophobicContact CG2-CD1 3.91Å; V876-L928 HydrophobicContact CG2-CD2 4.11Å; V876-L928 HydrophobicContact CG2-CG 4.15Å
877D87.3Confident88.9Confident78 Ų7860.2 Ų60.242%0.41730%0.296SS..  trans-80.4166.9178.473.9-76.5000112.9Q879 T880 L881D877-Q879 VanDerWaalsContact C-N 3.33Å; D877-Q879 PolarHBondContact O-N 3.31Å; D877-Q879 VanDerWaalsContact OD2-CA 3.32Å; D877-Q879 WeakPolarHBondContact OD2-CA 3.46Å; D877-Q879 VanDerWaalsContact OD2-CB 3.22Å; D877-Q879 WeakPolarHBondContact OD2-CB 3.45Å; D877-Q879 PolarHBondContact OD2-N 2.69Å; D877-T880 WeakPolarHBondContact OD1-CB 3.5Å; D877-T880 PolarHBondContact OD1-OG1 3Å; D877-T880 PolarHBondContact OD2-N 2.96Å; D877-L881 WeakPolarHBondContact O-CG 3.47Å; D877-L881 PolarHBondContact O-N 2.91Å
878E89.4Confident88.6Confident85 Ų8559.6 Ų59.640%0.39730%0.295SS..Hα-helixtrans-64.1-34.6-177.9-159.3-171.714200113.3L881 Q882 F894 F896E878-L881 PolarHBondContact O-N 2.85Å; E878-Q882 WeakPolarHBondContact O-CB 3.35Å; E878-Q882 WeakPolarHBondContact O-CG 3.47Å; E878-Q882 PolarHBondContact O-N 3.21Å; E878-Q882 PolarHBondContact OE1-NE2 2.7Å; E878-F894 HydrophobicContact CG-CE1 3.59Å; E878-F894 HydrophobicContact CG-CZ 3.91Å; E878-F896 HydrophobicContact CB-CD1 3.7Å; E878-F896 HydrophobicContact CB-CE1 3.87Å; E878-F896 HydrophobicContact CG-CB 4.31Å; E878-F896 HydrophobicContact CG-CD1 3.68Å; E878-F896 HydrophobicContact CG-CE1 4.36Å; E878-F896 HydrophobicContact CG-CG 4.29Å
879Q89.2Confident88.2Confident159 Ų15960.9 Ų60.974%0.74331%0.309SS*.Hα-helixtrans-72.3-42.5-177.1-51.3-173.5300110.9D877 L881 Q882 F883D877-Q879 VanDerWaalsContact C-N 3.33Å; D877-Q879 PolarHBondContact O-N 3.31Å; D877-Q879 VanDerWaalsContact OD2-CA 3.32Å; D877-Q879 WeakPolarHBondContact OD2-CA 3.46Å; D877-Q879 VanDerWaalsContact OD2-CB 3.22Å; D877-Q879 WeakPolarHBondContact OD2-CB 3.45Å; D877-Q879 PolarHBondContact OD2-N 2.69Å; Q879-L881 VanDerWaalsContact C-N 3.31Å; Q879-L881 PolarHBondContact O-N 3.34Å; Q879-Q882 PolarHBondContact O-N 3.08Å; Q879-F883 WeakPolarHBondContact O-CB 3.34Å; Q879-F883 PolarHBondContact O-N 3.41Å
880T89.4Confident88Confident64 Ų6464.2 Ų64.239%0.39333%0.329SS..Hα-helixtrans-60.7-41173.3-62.30000111.4V876 D877 F883 L884V876-T880 HydrophobicContact CG1-CG2 3.55Å; D877-T880 WeakPolarHBondContact OD1-CB 3.5Å; D877-T880 PolarHBondContact OD1-OG1 3Å; D877-T880 PolarHBondContact OD2-N 2.96Å; T880-F883 PolarHBondContact O-N 3.37Å; T880-L884 WeakPolarHBondContact O-CB 3.4Å; T880-L884 PolarHBondContact O-N 2.71Å
881L91.2Very high87.9Confident1 Ų167 Ų671%0.00535%0.346CS..Hα-helixtrans-64.5-47.5174-69.8176.9000112.4L870 A873 V876 D877 E878 Q879 F883 L884 F885 F894 F896 A903 L928L870-L881 HydrophobicContact CD1-CD2 4.04Å; A873-L881 HydrophobicContact CB-CD1 4.44Å; V876-L881 HydrophobicContact CB-CD2 4.39Å; V876-L881 HydrophobicContact CB-CG 4.39Å; V876-L881 HydrophobicContact CG1-CD2 4.01Å; V876-L881 HydrophobicContact CG1-CG 3.9Å; D877-L881 WeakPolarHBondContact O-CG 3.47Å; D877-L881 PolarHBondContact O-N 2.91Å; E878-L881 PolarHBondContact O-N 2.85Å; Q879-L881 VanDerWaalsContact C-N 3.31Å; Q879-L881 PolarHBondContact O-N 3.34Å; L881-F883 VanDerWaalsContact C-N 3.31Å; L881-F883 PolarHBondContact O-N 3.4Å; L881-L884 WeakPolarHBondContact O-CB 3.43Å; L881-L884 PolarHBondContact O-N 3.04Å; L881-F885 HydrophobicContact CB-CE2 3.85Å; L881-F885 HydrophobicContact CB-CZ 4.13Å; L881-F885 HydrophobicContact CD2-CZ 4.23Å; L881-F885 WeakPolarHBondContact O-CD2 3.36Å; L881-F885 VanDerWaalsContact O-CE2 3.26Å; L881-F885 WeakPolarHBondContact O-CE2 3.28Å; L881-F885 WeakPolarHBondContact O-CG 3.3Å; L881-F885 PolarHBondContact O-N 3.27Å; L881-F894 HydrophobicContact CB-CZ 4.36Å; L881-F896 HydrophobicContact CD1-CD2 3.97Å; L881-F896 HydrophobicContact CD1-CE2 3.82Å; L881-F896 HydrophobicContact CD1-CZ 4.35Å; L881-A903 HydrophobicContact CD1-CB 3.83Å; L881-L928 HydrophobicContact CD2-CD1 3.91Å
882Q89.3Confident87.9Confident94 Ų9468.7 Ų68.744%0.43935%0.352SS..Hα-helixtrans-61.2-38.3177-73.6-167.432.900112.3E878 Q879 S886 F894E878-Q882 WeakPolarHBondContact O-CB 3.35Å; E878-Q882 WeakPolarHBondContact O-CG 3.47Å; E878-Q882 PolarHBondContact O-N 3.21Å; E878-Q882 PolarHBondContact OE1-NE2 2.7Å; Q879-Q882 PolarHBondContact O-N 3.08Å; Q882-S886 WeakPolarHBondContact O-CB 3.35Å; Q882-S886 PolarHBondContact O-N 3.14Å; Q882-S886 PolarHBondContact O-OG 2.73Å; Q882-F894 HydrophobicContact CG-CD1 4.04Å; Q882-F894 HydrophobicContact CG-CE1 3.72Å; Q882-F894 HydrophobicContact CG-CZ 4.38Å
883F89.1Confident88.1Confident134 Ų13467 Ų6759%0.58835%0.348SS*.Hα-helixtrans-63.9-44.5174.6179.5-104.8000112Q879 T880 L881 S886 R887Q879-F883 WeakPolarHBondContact O-CB 3.34Å; Q879-F883 PolarHBondContact O-N 3.41Å; T880-F883 PolarHBondContact O-N 3.37Å; L881-F883 VanDerWaalsContact C-N 3.31Å; L881-F883 PolarHBondContact O-N 3.4Å; F883-S886 PolarHBondContact O-N 2.99Å; F883-R887 PolarHBondContact O-N 3.36Å
884L89.8Confident88.4Confident8 Ų869.2 Ų69.24%0.04236%0.357CS..Hα-helixtrans-58.7-47.1176.5175.858000112T880 L881 S886 R887 I888 L919 E922T880-L884 WeakPolarHBondContact O-CB 3.4Å; T880-L884 PolarHBondContact O-N 2.71Å; L881-L884 WeakPolarHBondContact O-CB 3.43Å; L881-L884 PolarHBondContact O-N 3.04Å; L884-S886 PolarHBondContact O-N 2.88Å; L884-R887 PolarHBondContact O-N 3.24Å; L884-I888 HydrophobicContact CD1-CD1 4.31Å; L884-L919 HydrophobicContact CD1-CD1 4.1Å; L884-L919 HydrophobicContact CD2-CD1 3.68Å; L884-L919 HydrophobicContact CG-CD1 3.68Å; L884-E922 HydrophobicContact CD1-CB 3.71Å; L884-E922 HydrophobicContact CD1-CG 4.31Å; L884-E922 VanDerWaalsContact CD1-OE2 3.28Å; L884-E922 WeakPolarHBondContact CD1-OE2 3.47Å
885F91.9Very high88.8Confident1 Ų165 Ų650%0.00434%0.34CS..Hα-helixtrans-67.4-37.4177.3-51.4-42.8000112.7L870 L881 R887 I888 G889 V891 F894 V905 F907 L919L870-F885 HydrophobicContact CD1-CE1 3.72Å; L870-F885 HydrophobicContact CD1-CZ 3.54Å; L881-F885 HydrophobicContact CB-CE2 3.85Å; L881-F885 HydrophobicContact CB-CZ 4.13Å; L881-F885 HydrophobicContact CD2-CZ 4.23Å; L881-F885 WeakPolarHBondContact O-CD2 3.36Å; L881-F885 VanDerWaalsContact O-CE2 3.26Å; L881-F885 WeakPolarHBondContact O-CE2 3.28Å; L881-F885 WeakPolarHBondContact O-CG 3.3Å; L881-F885 PolarHBondContact O-N 3.27Å; F885-R887 PolarHBondContact O-N 3.2Å; F885-I888 PolarHBondContact O-N 2.91Å; F885-G889 PolarHBondContact O-N 2.99Å; F885-G889 VanDerWaalsContact O-N 3.12Å; F885-V891 HydrophobicContact CB-CG2 3.68Å; F885-F894 HydrophobicContact CD2-CD2 4.17Å; F885-F894 HydrophobicContact CD2-CE2 4.25Å; F885-F894 AromaticContact CE2-CD2 3.72Å; F885-F894 HydrophobicContact CE2-CD2 3.72Å; F885-F894 AromaticContact CE2-CE2 3.46Å; F885-F894 HydrophobicContact CE2-CE2 3.46Å; F885-F894 VanDerWaalsContact CE2-CE2 3.46Å; F885-F894 HydrophobicContact CE2-CZ 4.22Å; F885-F894 HydrophobicContact CZ-CE2 4.33Å; F885-V905 HydrophobicContact CB-CG2 4.29Å; F885-V905 HydrophobicContact CD1-CB 4.32Å; F885-V905 HydrophobicContact CD1-CG1 3.86Å; F885-V905 HydrophobicContact CD1-CG2 4.27Å; F885-V905 HydrophobicContact CD2-CB 4.16Å; F885-V905 HydrophobicContact CD2-CG2 3.91Å; F885-V905 HydrophobicContact CE1-CB 4.29Å; F885-V905 HydrophobicContact CE1-CG1 3.74Å; F885-V905 HydrophobicContact CE2-CB 4.15Å; F885-V905 HydrophobicContact CE2-CG1 4.48Å; F885-V905 HydrophobicContact CE2-CG2 4.4Å; F885-V905 HydrophobicContact CG-CB 4.28Å; F885-V905 HydrophobicContact CG-CG1 4.3Å; F885-V905 HydrophobicContact CG-CG2 3.88Å; F885-V905 HydrophobicContact CZ-CB 4.22Å; F885-V905 HydrophobicContact CZ-CG1 4.09Å; F885-F907 HydrophobicContact CB-CE1 4.08Å; F885-F907 HydrophobicContact CB-CZ 3.86Å; F885-F907 HydrophobicContact CD1-CZ 4.12Å; F885-F907 HydrophobicContact CG-CZ 4.28Å; F885-L919 HydrophobicContact CD1-CD1 4.16Å; F885-L919 HydrophobicContact CE1-CD1 4Å; F885-L919 HydrophobicContact CE1-CD2 4.42Å
886S87.6Confident89.4Confident86 Ų8662.6 Ų62.660%0.60133%0.326SS*.Hα-helixtrans-61.7-24.9178.6-61.30000113.2Q882 F883 L884Q882-S886 WeakPolarHBondContact O-CB 3.35Å; Q882-S886 PolarHBondContact O-N 3.14Å; Q882-S886 PolarHBondContact O-OG 2.73Å; F883-S886 PolarHBondContact O-N 2.99Å; L884-S886 PolarHBondContact O-N 2.88Å
887R87.5Confident89.6Confident146 Ų14663 Ų6355%0.55133%0.329SS*.Hα-helixtrans-74.9-23.6171.6-71.7166.451.1144.4-5113.7F883 L884 F885 E922F883-R887 PolarHBondContact O-N 3.36Å; L884-R887 PolarHBondContact O-N 3.24Å; F885-R887 PolarHBondContact O-N 3.2Å; R887-E922 IonicContact CZ-OE1 2.85Å; R887-E922 IonicContact CZ-OE2 2.58Å; R887-E922 VanDerWaalsContact CZ-OE2 3.25Å; R887-E922 IonicContact NE-OE1 3.29Å; R887-E922 IonicContact NE-OE2 2.85Å; R887-E922 IonicContact NH1-OE2 3.24Å; R887-E922 IonicContact NH2-OE1 3.76Å; R887-E922 PolarHBondContact NH2-OE1 3.5Å; R887-E922 IonicContact NH2-OE2 2.83Å; R887-E922 PolarHBondContact NH2-OE2 3.27Å
888I87.5Confident89.3Confident13 Ų1363.3 Ų63.37%0.06734%0.335CS..Hα-helixtrans-95.9-37.3-171.1-66.3165000111.8L884 F885 F907 A915 R918 L919L884-I888 HydrophobicContact CD1-CD1 4.31Å; F885-I888 PolarHBondContact O-N 2.91Å; I888-F907 HydrophobicContact CB-CE1 4.29Å; I888-F907 HydrophobicContact CB-CZ 4.21Å; I888-F907 HydrophobicContact CG2-CE1 4.24Å; I888-F907 HydrophobicContact CG2-CZ 4.03Å; I888-A915 HydrophobicContact CG2-CB 3.83Å; I888-R918 HydrophobicContact CG1-CB 4.43Å; I888-R918 HydrophobicContact CG2-CB 4.33Å; I888-L919 HydrophobicContact CD1-CB 3.81Å; I888-L919 HydrophobicContact CD1-CD1 3.4Å; I888-L919 HydrophobicContact CD1-CG 4.2Å
889G87.4Confident88.9Confident28 Ų2863.3 Ų63.329%0.28936%0.358SS..SBendtrans173.2-176.5177.200000114.2F885 V891F885-G889 PolarHBondContact O-N 2.99Å; F885-G889 VanDerWaalsContact O-N 3.12Å; G889-V891 PolarHBondContact O-N 3.28Å
890T89Confident88.7Confident69 Ų6957.4 Ų57.442%0.42334%0.335SS..  trans-68.8114.8176.441.90000111.2Q892 F907 K908 D909T890-Q892 PolarHBondContact O-N 3.47Å; T890-F907 CarbonylContact O-C 3.59Å; T890-F907 WeakPolarHBondContact O-CA 3.26Å; T890-K908 PolarHBondContact O-N 3.12Å; T890-D909 WeakPolarHBondContact CB-OD2 3.47Å; T890-D909 WeakPolarHBondContact OG1-CB 3.01Å; T890-D909 PolarHBondContact OG1-N 2.91Å; T890-D909 PolarHBondContact OG1-OD2 3.2Å
891V90.8Very high88.7Confident59 Ų5955.4 Ų55.436%0.35833%0.326SS..EExtended strand (participates in β ladder)trans-71.5126.2174.8176.50000109.9F885 G889 A893 F894 V905 F907F885-V891 HydrophobicContact CB-CG2 3.68Å; G889-V891 PolarHBondContact O-N 3.28Å; V891-A893 WeakPolarHBondContact CG1-O 3.38Å; V891-F894 HydrophobicContact CG1-CB 3.98Å; V891-V905 HydrophobicContact CG1-CG2 4.03Å; V891-V905 HydrophobicContact CG2-CG2 4.06Å; V891-F907 HydrophobicContact CG2-CD1 4.5Å; V891-F907 HydrophobicContact CG2-CE1 4.12Å
892Q90.3Very high88.8Confident104 Ų10455.8 Ų55.849%0.48633%0.328SS..EExtended strand (participates in β ladder)trans-87.2-43.9171.7-169.7-174.724.400111.2T890 K906 K908T890-Q892 PolarHBondContact O-N 3.47Å; Q892-K906 WeakPolarHBondContact CA-O 3.33Å; Q892-K906 WeakPolarHBondContact CB-O 3.44Å; Q892-K906 PolarHBondContact N-O 2.77Å; Q892-K908 HydrophobicContact CB-CB 3.9Å; Q892-K908 HydrophobicContact CG-CB 4.4Å
893A90.7Very high88.9Confident34 Ų3451.3 Ų51.328%0.28131%0.307SS..EExtended strand (participates in β ladder)trans-151.4148.6179.100000109.9W867 V891 K906W867-A893 HydrophobicContact CH2-CB 3.61Å; W867-A893 HydrophobicContact CZ2-CB 4.28Å; W867-A893 HydrophobicContact CZ3-CB 4.15Å; V891-A893 WeakPolarHBondContact CG1-O 3.38Å; A893-K906 HydrophobicContact CB-CB 4.16Å; A893-K906 PolarHBondContact N-O 3.4Å; A893-K906 PolarHBondContact O-N 3.16Å
894F92.1Very high89.2Confident47 Ų4745 Ų4521%0.20628%0.279CS..EExtended strand (participates in β ladder)trans-145139.8179.1170.6-120.1000109.4E878 L881 Q882 F885 V891 F896 A903 A904 V905E878-F894 HydrophobicContact CG-CE1 3.59Å; E878-F894 HydrophobicContact CG-CZ 3.91Å; L881-F894 HydrophobicContact CB-CZ 4.36Å; Q882-F894 HydrophobicContact CG-CD1 4.04Å; Q882-F894 HydrophobicContact CG-CE1 3.72Å; Q882-F894 HydrophobicContact CG-CZ 4.38Å; F885-F894 HydrophobicContact CD2-CD2 4.17Å; F885-F894 HydrophobicContact CD2-CE2 4.25Å; F885-F894 AromaticContact CE2-CD2 3.72Å; F885-F894 HydrophobicContact CE2-CD2 3.72Å; F885-F894 AromaticContact CE2-CE2 3.46Å; F885-F894 HydrophobicContact CE2-CE2 3.46Å; F885-F894 VanDerWaalsContact CE2-CE2 3.46Å; F885-F894 HydrophobicContact CE2-CZ 4.22Å; F885-F894 HydrophobicContact CZ-CE2 4.33Å; V891-F894 HydrophobicContact CG1-CB 3.98Å; F894-F896 HydrophobicContact CE1-CB 4.07Å; F894-F896 HydrophobicContact CE2-CB 4.16Å; F894-F896 HydrophobicContact CZ-CB 3.58Å; F894-F896 HydrophobicContact CZ-CG 4.32Å; F894-A903 HydrophobicContact CE2-CB 4.26Å; F894-A904 CarbonylContact C-O 3.58Å; F894-A904 WeakPolarHBondContact CA-O 3.39Å; F894-A904 WeakPolarHBondContact CD2-O 3.48Å; F894-V905 HydrophobicContact CD2-CB 4.36Å
895V91.5Very high89.4Confident40 Ų4044.6 Ų44.624%0.24228%0.277CS..EExtended strand (participates in β ladder)trans-139.9122-178.2-174.20000108.9W867 P897 A903 A904 I942W867-V895 HydrophobicContact CH2-CG2 3.87Å; W867-V895 HydrophobicContact CZ3-CG2 4.02Å; V895-P897 HydrophobicContact CG1-CG 4Å; V895-A903 CarbonylContact O-C 3.5Å; V895-A903 WeakPolarHBondContact O-CA 3.48Å; V895-A904 HydrophobicContact CB-CB 4.49Å; V895-A904 PolarHBondContact N-O 3.02Å; V895-A904 PolarHBondContact O-N 3.28Å; V895-I942 HydrophobicContact CG1-CD1 3.97Å; V895-I942 HydrophobicContact CG1-CG1 4.11Å; V895-I942 HydrophobicContact CG2-CD1 4.42Å
896F91.9Very high89.5Confident48 Ų4845.2 Ų45.221%0.21128%0.28CS..  trans-133.787.2176.1-177.9-122.9000109.2A873 E878 L881 F894 P898 A903A873-F896 HydrophobicContact CB-CE2 3.99Å; A873-F896 WeakPolarHBondContact O-CE2 3.44Å; E878-F896 HydrophobicContact CB-CD1 3.7Å; E878-F896 HydrophobicContact CB-CE1 3.87Å; E878-F896 HydrophobicContact CG-CB 4.31Å; E878-F896 HydrophobicContact CG-CD1 3.68Å; E878-F896 HydrophobicContact CG-CE1 4.36Å; E878-F896 HydrophobicContact CG-CG 4.29Å; L881-F896 HydrophobicContact CD1-CD2 3.97Å; L881-F896 HydrophobicContact CD1-CE2 3.82Å; L881-F896 HydrophobicContact CD1-CZ 4.35Å; F894-F896 HydrophobicContact CE1-CB 4.07Å; F894-F896 HydrophobicContact CE2-CB 4.16Å; F894-F896 HydrophobicContact CZ-CB 3.58Å; F894-F896 HydrophobicContact CZ-CG 4.32Å; F896-P898 WeakPolarHBondContact O-CD 3.48Å; F896-A903 HydrophobicContact CD2-CB 3.81Å; F896-A903 HydrophobicContact CE2-CB 4.48Å
897P88.9Confident89.6Confident24 Ų2441.4 Ų41.416%0.15625%0.253CS..  trans-74118.3-176.6-10.626.1000109.4V895 G899 S900 F902V895-P897 HydrophobicContact CG1-CG 4Å; P897-G899 PolarHBondContact O-N 3.08Å; P897-S900 WeakPolarHBondContact CD-OG 3.3Å; P897-S900 VanDerWaalsContact O-CB 3.26Å; P897-S900 WeakPolarHBondContact O-CB 3.44Å; P897-S900 PolarHBondContact O-N 2.87Å; P897-S900 PolarHBondContact O-OG 3.44Å; P897-F902 HydrophobicContact CG-CE1 3.98Å; P897-F902 HydrophobicContact CG-CE2 4.18Å; P897-F902 HydrophobicContact CG-CZ 3.61Å
898P81.8Confident89.6Confident85 Ų8540.3 Ų40.355%0.55225%0.252SS*.THydrogen-bonded Turntrans-61.9126.6-172.521.3-31.8000111.4F896 R949F896-P898 WeakPolarHBondContact O-CD 3.48Å; P898-R949 PolarHBondContact O-NH2 3.15Å
899G80.6Confident89Confident86 Ų8644.7 Ų44.789%0.88728%0.275SS*.THydrogen-bonded Turntrans84.20.7-177.200000115.8P897P897-G899 PolarHBondContact O-N 3.08Å
900S84.7Confident88.5Confident35 Ų3544.7 Ų44.725%0.24527%0.272CS..SBendtrans-80.6-15.7-18067.20000115.1P897 F902P897-S900 WeakPolarHBondContact CD-OG 3.3Å; P897-S900 VanDerWaalsContact O-CB 3.26Å; P897-S900 WeakPolarHBondContact O-CB 3.44Å; P897-S900 PolarHBondContact O-N 2.87Å; P897-S900 PolarHBondContact O-OG 3.44Å; S900-F902 PolarHBondContact O-N 3.21Å; S900-F902 WeakPolarHBondContact OG-CD1 3.43Å; S900-F902 PolarHBondContact OG-N 3.25Å; S900-F902 PolarHBondContact OG-O 2.99Å
901G88.6Confident88.2Confident21 Ų2143 Ų4322%0.21626%0.264CS..SBendtrans70.36.7-175.500000115.2N872 A873N872-G901 PolarHBondContact N-O 2.8Å; N872-G901 VanDerWaalsContact N-O 3.15Å; A873-G901 PolarHBondContact N-O 3.3Å
902F92.8Very high88Confident10 Ų1040.5 Ų40.54%0.04425%0.249CC..EExtended strand (participates in β ladder)trans-129.8158.6175.283.7-91.9000113V869 L870 L871 P897 S900 A904 L941 I942V869-F902 HydrophobicContact CG1-CD2 4.41Å; L870-F902 CarbonylContact O-C 3.6Å; L870-F902 WeakPolarHBondContact O-CA 3.44Å; L870-F902 VanDerWaalsContact O-CB 3.32Å; L870-F902 WeakPolarHBondContact O-CB 3.47Å; L871-F902 HydrophobicContact CD2-CB 4.18Å; P897-F902 HydrophobicContact CG-CE1 3.98Å; P897-F902 HydrophobicContact CG-CE2 4.18Å; P897-F902 HydrophobicContact CG-CZ 3.61Å; S900-F902 PolarHBondContact O-N 3.21Å; S900-F902 WeakPolarHBondContact OG-CD1 3.43Å; S900-F902 PolarHBondContact OG-N 3.25Å; S900-F902 PolarHBondContact OG-O 2.99Å; F902-A904 HydrophobicContact CE2-CB 4.5Å; F902-L941 HydrophobicContact CD1-CB 4.41Å; F902-L941 HydrophobicContact CD2-CB 4.49Å; F902-L941 HydrophobicContact CD2-CD1 4.49Å; F902-L941 HydrophobicContact CE1-CB 3.8Å; F902-L941 WeakPolarHBondContact CE1-O 3.26Å; F902-L941 HydrophobicContact CE2-CB 3.9Å; F902-L941 HydrophobicContact CZ-CB 3.51Å; F902-I942 HydrophobicContact CZ-CG1 4.24Å
903A93.2Very high87.9Confident0 Ų040.8 Ų40.80%025%0.25CS..EExtended strand (participates in β ladder)trans-131152.2167.900000109.7V869 L870 A873 L881 F894 V895 F896V869-A903 CarbonylContact C-O 3.55Å; V869-A903 WeakPolarHBondContact CA-O 3.27Å; L870-A903 HydrophobicContact CB-CB 4.28Å; L870-A903 HydrophobicContact CD1-CB 4.45Å; L870-A903 PolarHBondContact N-O 3.43Å; L870-A903 PolarHBondContact O-N 3.16Å; A873-A903 HydrophobicContact CB-CB 4.09Å; L881-A903 HydrophobicContact CD1-CB 3.83Å; F894-A903 HydrophobicContact CE2-CB 4.26Å; V895-A903 CarbonylContact O-C 3.5Å; V895-A903 WeakPolarHBondContact O-CA 3.48Å; F896-A903 HydrophobicContact CD2-CB 3.81Å; F896-A903 HydrophobicContact CE2-CB 4.48Å
904A93.9Very high87.8Confident0 Ų046.4 Ų46.40%027%0.268CS..EExtended strand (participates in β ladder)trans-134133.3175.500000110.7W867 I868 V869 F894 V895 F902 V938W867-A904 HydrophobicContact CE3-CB 3.7Å; W867-A904 HydrophobicContact CZ3-CB 4.06Å; I868-A904 WeakPolarHBondContact O-CA 3.28Å; V869-A904 HydrophobicContact CG2-CB 4.1Å; F894-A904 CarbonylContact C-O 3.58Å; F894-A904 WeakPolarHBondContact CA-O 3.39Å; F894-A904 WeakPolarHBondContact CD2-O 3.48Å; V895-A904 HydrophobicContact CB-CB 4.49Å; V895-A904 PolarHBondContact N-O 3.02Å; V895-A904 PolarHBondContact O-N 3.28Å; F902-A904 HydrophobicContact CE2-CB 4.5Å; A904-V938 HydrophobicContact CB-CG1 3.8Å; A904-V938 HydrophobicContact CB-CG2 4.32Å
905V94.3Very high87.7Confident1 Ų144.2 Ų44.21%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-129.9141.2178.365.80000111.6W867 I868 F885 V891 F894 F907W867-V905 WeakPolarHBondContact CA-O 3.37Å; W867-V905 VanDerWaalsContact CE3-C 3.45Å; I868-V905 HydrophobicContact CB-CG1 4.02Å; I868-V905 PolarHBondContact N-O 3.49Å; I868-V905 PolarHBondContact O-N 2.9Å; F885-V905 HydrophobicContact CB-CG2 4.29Å; F885-V905 HydrophobicContact CD1-CB 4.32Å; F885-V905 HydrophobicContact CD1-CG1 3.86Å; F885-V905 HydrophobicContact CD1-CG2 4.27Å; F885-V905 HydrophobicContact CD2-CB 4.16Å; F885-V905 HydrophobicContact CD2-CG2 3.91Å; F885-V905 HydrophobicContact CE1-CB 4.29Å; F885-V905 HydrophobicContact CE1-CG1 3.74Å; F885-V905 HydrophobicContact CE2-CB 4.15Å; F885-V905 HydrophobicContact CE2-CG1 4.48Å; F885-V905 HydrophobicContact CE2-CG2 4.4Å; F885-V905 HydrophobicContact CG-CB 4.28Å; F885-V905 HydrophobicContact CG-CG1 4.3Å; F885-V905 HydrophobicContact CG-CG2 3.88Å; F885-V905 HydrophobicContact CZ-CB 4.22Å; F885-V905 HydrophobicContact CZ-CG1 4.09Å; V891-V905 HydrophobicContact CG1-CG2 4.03Å; V891-V905 HydrophobicContact CG2-CG2 4.06Å; F894-V905 HydrophobicContact CD2-CB 4.36Å; V905-F907 HydrophobicContact CG1-CD2 4.49Å; V905-F907 HydrophobicContact CG1-CE2 3.72Å; V905-F907 HydrophobicContact CG1-CZ 4.27Å; V905-F907 HydrophobicContact CG2-CD2 4.45Å; V905-F907 HydrophobicContact CG2-CE2 3.98Å; V905-F907 HydrophobicContact CG2-CZ 4.04Å
906K93.5Very high87.7Confident13 Ų1343.4 Ų43.46%0.05725%0.254CS..EExtended strand (participates in β ladder)trans-122.2130.3174.2-158.6171.5-168.8163.30107.8Q865 W867 Q892 A893 D935Q865-K906 VanDerWaalsContact C-CE 3.48Å; Q865-K906 WeakPolarHBondContact O-CE 3.47Å; Q865-K906 PolarHBondContact O-NZ 3.41Å; Q865-K906 VanDerWaalsContact O-NZ 3.09Å; W867-K906 HydrophobicContact CD2-CB 3.91Å; W867-K906 HydrophobicContact CD2-CD 4.28Å; W867-K906 HydrophobicContact CD2-CG 4.39Å; W867-K906 HydrophobicContact CE3-CB 3.87Å; W867-K906 HydrophobicContact CG-CB 4.46Å; W867-K906 HydrophobicContact CH2-CB 4.37Å; W867-K906 HydrophobicContact CZ2-CB 4.41Å; W867-K906 HydrophobicContact CZ2-CD 4.17Å; W867-K906 HydrophobicContact CZ3-CB 4.11Å; Q892-K906 WeakPolarHBondContact CA-O 3.33Å; Q892-K906 WeakPolarHBondContact CB-O 3.44Å; Q892-K906 PolarHBondContact N-O 2.77Å; A893-K906 HydrophobicContact CB-CB 4.16Å; A893-K906 PolarHBondContact N-O 3.4Å; A893-K906 PolarHBondContact O-N 3.16Å; K906-D935 IonicContact NZ-OD1 2.77Å; K906-D935 PolarHBondContact NZ-OD1 3.43Å; K906-D935 IonicContact NZ-OD2 3.68Å; K906-D935 PolarHBondContact NZ-OD2 3.39Å
907F91.7Very high87.7Confident7 Ų746.1 Ų46.13%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-100.3143.9-178.8-71.1-85.4000111.2I868 F885 I888 T890 V891 V905 A910 A915I868-F907 HydrophobicContact CD1-CD2 4.38Å; I868-F907 HydrophobicContact CD1-CE2 4.07Å; F885-F907 HydrophobicContact CB-CE1 4.08Å; F885-F907 HydrophobicContact CB-CZ 3.86Å; F885-F907 HydrophobicContact CD1-CZ 4.12Å; F885-F907 HydrophobicContact CG-CZ 4.28Å; I888-F907 HydrophobicContact CB-CE1 4.29Å; I888-F907 HydrophobicContact CB-CZ 4.21Å; I888-F907 HydrophobicContact CG2-CE1 4.24Å; I888-F907 HydrophobicContact CG2-CZ 4.03Å; T890-F907 CarbonylContact O-C 3.59Å; T890-F907 WeakPolarHBondContact O-CA 3.26Å; V891-F907 HydrophobicContact CG2-CD1 4.5Å; V891-F907 HydrophobicContact CG2-CE1 4.12Å; V905-F907 HydrophobicContact CG1-CD2 4.49Å; V905-F907 HydrophobicContact CG1-CE2 3.72Å; V905-F907 HydrophobicContact CG1-CZ 4.27Å; V905-F907 HydrophobicContact CG2-CD2 4.45Å; V905-F907 HydrophobicContact CG2-CE2 3.98Å; V905-F907 HydrophobicContact CG2-CZ 4.04Å; F907-A910 HydrophobicContact CB-CB 4.15Å; F907-A915 HydrophobicContact CD2-CB 3.78Å; F907-A915 HydrophobicContact CE2-CB 3.92Å; F907-A915 HydrophobicContact CG-CB 4.4Å
908K86.2Confident87.7Confident123 Ų12352.7 Ų52.754%0.53530%0.296SS..SBendtrans-83.5-45.9-174.6-178.2-178.9159.5-730112.2T890 Q892T890-K908 PolarHBondContact O-N 3.12Å; Q892-K908 HydrophobicContact CB-CB 3.9Å; Q892-K908 HydrophobicContact CG-CB 4.4Å
909D75.6Confident88.1Confident104 Ų10448.7 Ų48.756%0.55627%0.269SS*.SBendtrans-118.718.3-168.7-50-70.1000112.5T890T890-D909 WeakPolarHBondContact CB-OD2 3.47Å; T890-D909 WeakPolarHBondContact OG1-CB 3.01Å; T890-D909 PolarHBondContact OG1-N 2.91Å; T890-D909 PolarHBondContact OG1-OD2 3.2Å
910A76.2Confident88.6Confident28 Ų2849 Ų4923%0.23125%0.248CC..SBendtrans-132.9142178.400000112.3F907 A912F907-A910 HydrophobicContact CB-CB 4.15Å; A910-A912 PolarHBondContact O-N 3.42Å
911S84Confident88.7Confident34 Ų3451.3 Ų51.324%0.23826%0.262CS..  trans-61.8132.9165150.30000109.2E913 K914 A915S911-E913 PolarHBondContact O-N 3.44Å; S911-E913 PolarHBondContact OG-N 3.19Å; S911-E913 PolarHBondContact OG-OE2 3.31Å; S911-E913 VanDerWaalsContact OG-OE2 3.1Å; S911-K914 PolarHBondContact O-N 3.09Å; S911-K914 VanDerWaalsContact O-N 3.1Å; S911-K914 PolarHBondContact OG-N 3.45Å; S911-A915 PolarHBondContact O-N 3.06Å
912A85.7Confident88.7Confident6 Ų653.4 Ų53.45%0.0527%0.266CS..Hα-helixtrans-59.8-31.8178.200000112.2Q866 I868 A910 A915 L916 L932Q866-A912 HydrophobicContact CB-CB 3.78Å; I868-A912 HydrophobicContact CG1-CB 4.42Å; A910-A912 PolarHBondContact O-N 3.42Å; A912-A915 PolarHBondContact O-N 2.63Å; A912-L916 VanDerWaalsContact O-CB 3.31Å; A912-L916 WeakPolarHBondContact O-CB 3.49Å; A912-L916 PolarHBondContact O-N 3.31Å; A912-L932 HydrophobicContact CB-CD2 3.48Å; A912-L932 VanDerWaalsContact CB-CD2 3.48Å
913E87.8Confident88.4Confident110 Ų11052.9 Ų52.951%0.51426%0.264SS..Hα-helixtrans-65.3-46.2174.9-54154.6140.600110.8S911 A915 L916 V917 L932S911-E913 PolarHBondContact O-N 3.44Å; S911-E913 PolarHBondContact OG-N 3.19Å; S911-E913 PolarHBondContact OG-OE2 3.31Å; S911-E913 VanDerWaalsContact OG-OE2 3.1Å; E913-A915 VanDerWaalsContact C-N 3.33Å; E913-A915 PolarHBondContact O-N 2.68Å; E913-L916 PolarHBondContact O-N 2.85Å; E913-V917 WeakPolarHBondContact O-CG2 3.39Å; E913-V917 PolarHBondContact O-N 2.84Å; E913-L932 HydrophobicContact CG-CD1 3.91Å
914K88.2Confident88.1Confident152 Ų15256.5 Ų56.566%0.66129%0.289SS*.Hα-helixtrans-67.8-33.5177.3-66.5-173.5178.7-177.70112.2S911 R918S911-K914 PolarHBondContact O-N 3.09Å; S911-K914 VanDerWaalsContact O-N 3.1Å; S911-K914 PolarHBondContact OG-N 3.45Å; K914-R918 WeakPolarHBondContact O-CG 3.44Å; K914-R918 PolarHBondContact O-N 3.31Å
915A90.5Very high87.7Confident2 Ų260.7 Ų60.72%0.01732%0.324CS..Hα-helixtrans-70.8-40.7173.200000111.4I868 I888 F907 S911 A912 E913 R918 L919I868-A915 HydrophobicContact CD1-CB 3.75Å; I888-A915 HydrophobicContact CG2-CB 3.83Å; F907-A915 HydrophobicContact CD2-CB 3.78Å; F907-A915 HydrophobicContact CE2-CB 3.92Å; F907-A915 HydrophobicContact CG-CB 4.4Å; S911-A915 PolarHBondContact O-N 3.06Å; A912-A915 PolarHBondContact O-N 2.63Å; E913-A915 VanDerWaalsContact C-N 3.33Å; E913-A915 PolarHBondContact O-N 2.68Å; A915-R918 PolarHBondContact O-N 2.61Å; A915-L919 VanDerWaalsContact O-CB 3.28Å; A915-L919 WeakPolarHBondContact O-CB 3.49Å; A915-L919 PolarHBondContact O-N 2.82Å
916L91.9Very high87.2Confident23 Ų2364.3 Ų64.312%0.1234%0.342CS..Hα-helixtrans-62.6-46.2175.9176.759.7000111.7I868 A912 E913 R918 L919 Q920 A930 L932I868-L916 HydrophobicContact CD1-CB 3.99Å; I868-L916 HydrophobicContact CG2-CD1 4.12Å; A912-L916 VanDerWaalsContact O-CB 3.31Å; A912-L916 WeakPolarHBondContact O-CB 3.49Å; A912-L916 PolarHBondContact O-N 3.31Å; E913-L916 PolarHBondContact O-N 2.85Å; L916-R918 PolarHBondContact O-N 3.39Å; L916-L919 PolarHBondContact O-N 2.92Å; L916-L919 VanDerWaalsContact O-N 3.08Å; L916-Q920 VanDerWaalsContact O-CB 3.27Å; L916-Q920 WeakPolarHBondContact O-CB 3.35Å; L916-Q920 PolarHBondContact O-N 2.91Å; L916-A930 HydrophobicContact CD1-CB 3.4Å; L916-A930 VanDerWaalsContact CD1-CB 3.4Å; L916-L932 HydrophobicContact CD2-CD1 4.26Å; L916-L932 HydrophobicContact CD2-CD2 4.48Å; L916-L932 HydrophobicContact CD2-CG 3.83Å
917V90.8Very high86.8Confident105 Ų10565.4 Ų65.464%0.63636%0.358SS*.Hα-helixtrans-60-30.3177.9170.80000112.3E913 P921E913-V917 WeakPolarHBondContact O-CG2 3.39Å; E913-V917 PolarHBondContact O-N 2.84Å; V917-P921 WeakPolarHBondContact O-CD 3.48Å
918R89.8Confident86.8Confident162 Ų16265.2 Ų65.261%0.61136%0.357SS*.Hα-helixtrans-79.9-37173-70.5174.4175-177.9-3.3113.3I888 K914 A915 L916I888-R918 HydrophobicContact CG1-CB 4.43Å; I888-R918 HydrophobicContact CG2-CB 4.33Å; K914-R918 WeakPolarHBondContact O-CG 3.44Å; K914-R918 PolarHBondContact O-N 3.31Å; A915-R918 PolarHBondContact O-N 2.61Å; L916-R918 PolarHBondContact O-N 3.39Å
919L90.6Very high86.9Confident1 Ų162.6 Ų62.61%0.00535%0.351CS..Hα-helixtrans-72.4-37.5-179-173.969.7000112.1I868 L870 L884 F885 I888 A915 L916 E922 C923 A930I868-L919 HydrophobicContact CD1-CD2 4.34Å; I868-L919 HydrophobicContact CG2-CD2 3.67Å; L870-L919 HydrophobicContact CD2-CD2 4.12Å; L870-L919 HydrophobicContact CG-CD2 4.49Å; L884-L919 HydrophobicContact CD1-CD1 4.1Å; L884-L919 HydrophobicContact CD2-CD1 3.68Å; L884-L919 HydrophobicContact CG-CD1 3.68Å; F885-L919 HydrophobicContact CD1-CD1 4.16Å; F885-L919 HydrophobicContact CE1-CD1 4Å; F885-L919 HydrophobicContact CE1-CD2 4.42Å; I888-L919 HydrophobicContact CD1-CB 3.81Å; I888-L919 HydrophobicContact CD1-CD1 3.4Å; I888-L919 HydrophobicContact CD1-CG 4.2Å; A915-L919 VanDerWaalsContact O-CB 3.28Å; A915-L919 WeakPolarHBondContact O-CB 3.49Å; A915-L919 PolarHBondContact O-N 2.82Å; L916-L919 PolarHBondContact O-N 2.92Å; L916-L919 VanDerWaalsContact O-N 3.08Å; L919-E922 PolarHBondContact O-N 3.1Å; L919-C923 VanDerWaalsContact CD1-SG 3.6Å; L919-C923 VanDerWaalsContact CG-SG 3.55Å; L919-C923 WeakPolarHBondContact O-CB 3.4Å; L919-C923 PolarHBondContact O-N 3.24Å; L919-A930 HydrophobicContact CD2-CB 4.05Å
920Q89.8Confident87.7Confident91 Ų9158.6 Ų58.643%0.42533%0.333SS..Hα-helixtrans-58.5-41.4-168.1-177.1174.6-200114.1L916 S924L916-Q920 VanDerWaalsContact O-CB 3.27Å; L916-Q920 WeakPolarHBondContact O-CB 3.35Å; L916-Q920 PolarHBondContact O-N 2.91Å; Q920-S924 VanDerWaalsContact O-CB 3.25Å; Q920-S924 WeakPolarHBondContact O-CB 3.44Å; Q920-S924 PolarHBondContact O-N 3.25Å; Q920-S924 PolarHBondContact O-OG 3.45Å
921P88.6Confident88.4Confident85 Ų8560.5 Ų60.555%0.55234%0.337SS*.Hα-helixtrans-64.6-47.4174.2-22.234.6000113V917 C923 S924 A925V917-P921 WeakPolarHBondContact O-CD 3.48Å; P921-C923 VanDerWaalsContact C-N 3.34Å; P921-C923 PolarHBondContact O-N 3.21Å; P921-S924 PolarHBondContact O-N 2.87Å; P921-A925 PolarHBondContact O-N 3.1Å; P921-A925 VanDerWaalsContact O-N 3.13Å
922E86.9Confident88.9Confident64 Ų6461.2 Ų61.230%0.29934%0.337SS..Hα-helixtrans-65.7-36.5-179.5-64.2-163.5-143.700111.5L884 R887 L919 I926L884-E922 HydrophobicContact CD1-CB 3.71Å; L884-E922 HydrophobicContact CD1-CG 4.31Å; L884-E922 VanDerWaalsContact CD1-OE2 3.28Å; L884-E922 WeakPolarHBondContact CD1-OE2 3.47Å; R887-E922 IonicContact CZ-OE1 2.85Å; R887-E922 IonicContact CZ-OE2 2.58Å; R887-E922 VanDerWaalsContact CZ-OE2 3.25Å; R887-E922 IonicContact NE-OE1 3.29Å; R887-E922 IonicContact NE-OE2 2.85Å; R887-E922 IonicContact NH1-OE2 3.24Å; R887-E922 IonicContact NH2-OE1 3.76Å; R887-E922 PolarHBondContact NH2-OE1 3.5Å; R887-E922 IonicContact NH2-OE2 2.83Å; R887-E922 PolarHBondContact NH2-OE2 3.27Å; L919-E922 PolarHBondContact O-N 3.1Å; E922-I926 WeakPolarHBondContact O-CD1 3.31Å; E922-I926 WeakPolarHBondContact O-CG1 3.5Å
923C87.9Confident89.2Confident0 Ų061.1 Ų61.10%034%0.337CS..Hα-helixtrans-72.5-40.2174.1-79.90000113.8L870 L919 P921 A925 I926 G927 L928L870-C923 HydrophobicContact CD2-CB 4.16Å; L870-C923 WeakPolarHBondContact CD2-SG 3.48Å; L919-C923 VanDerWaalsContact CD1-SG 3.6Å; L919-C923 VanDerWaalsContact CG-SG 3.55Å; L919-C923 WeakPolarHBondContact O-CB 3.4Å; L919-C923 PolarHBondContact O-N 3.24Å; P921-C923 VanDerWaalsContact C-N 3.34Å; P921-C923 PolarHBondContact O-N 3.21Å; C923-A925 VanDerWaalsContact C-N 3.26Å; C923-A925 PolarHBondContact O-N 2.91Å; C923-I926 CarbonylContact O-C 3.5Å; C923-I926 PolarHBondContact O-N 2.84Å; C923-G927 PolarHBondContact O-N 2.82Å; C923-G927 VanDerWaalsContact O-N 3.17Å; C923-L928 CarbonylContact C-O 3.58Å; C923-L928 HydrophobicContact CB-CB 3.85Å; C923-L928 PolarHBondContact O-N 2.8Å
924S86.8Confident89.3Confident75 Ų7562.1 Ų62.152%0.52434%0.339SS..Hα-helixtrans-64.1-34.7179.4-57.80000111.7Q920 P921 I926 G927Q920-S924 VanDerWaalsContact O-CB 3.25Å; Q920-S924 WeakPolarHBondContact O-CB 3.44Å; Q920-S924 PolarHBondContact O-N 3.25Å; Q920-S924 PolarHBondContact O-OG 3.45Å; P921-S924 PolarHBondContact O-N 2.87Å; S924-I926 PolarHBondContact O-N 2.88Å; S924-G927 PolarHBondContact O-N 3.22Å
925A85.9Confident89.3Confident89 Ų8958.3 Ų58.374%0.73633%0.326SS*.THydrogen-bonded Turntrans-63.5-18.717400000114.2P921 C923P921-A925 PolarHBondContact O-N 3.1Å; P921-A925 VanDerWaalsContact O-N 3.13Å; C923-A925 VanDerWaalsContact C-N 3.26Å; C923-A925 PolarHBondContact O-N 2.91Å
926I83.6Confident89.2Confident76 Ų7661.1 Ų61.139%0.3935%0.35SS..THydrogen-bonded Turntrans-112.78.1-178.4-46.7166.2000110.7V876 E922 C923 S924 L928V876-I926 HydrophobicContact CG2-CG2 3.45Å; V876-I926 VanDerWaalsContact CG2-CG2 3.45Å; E922-I926 WeakPolarHBondContact O-CD1 3.31Å; E922-I926 WeakPolarHBondContact O-CG1 3.5Å; C923-I926 CarbonylContact O-C 3.5Å; C923-I926 PolarHBondContact O-N 2.84Å; S924-I926 PolarHBondContact O-N 2.88Å; I926-L928 VanDerWaalsContact C-N 3.27Å; I926-L928 PolarHBondContact O-N 2.71Å
927G85.2Confident89.1Confident37 Ų3763.8 Ų63.838%0.38136%0.361SS..THydrogen-bonded Turntrans72.713.9-179.900000115.3N872 C923 S924N872-G927 PolarHBondContact ND2-O 2.98Å; N872-G927 VanDerWaalsContact ND2-O 3.14Å; C923-G927 PolarHBondContact O-N 2.82Å; C923-G927 VanDerWaalsContact O-N 3.17Å; S924-G927 PolarHBondContact O-N 3.22Å
928L89.9Confident89.1Confident3 Ų358.9 Ų58.92%0.01633%0.332CS..  trans-87.5131176.8-62.7-178.2000111.4L870 N872 A873 V876 L881 C923 I926L870-L928 HydrophobicContact CD2-CB 4.13Å; L870-L928 HydrophobicContact CD2-CD1 4.47Å; N872-L928 VanDerWaalsContact C-CD2 3.42Å; N872-L928 HydrophobicContact CB-CD2 4.31Å; N872-L928 VanDerWaalsContact O-CD2 3.27Å; N872-L928 WeakPolarHBondContact O-CD2 3.05Å; A873-L928 HydrophobicContact CB-CD2 4.43Å; V876-L928 HydrophobicContact CB-CD1 4.5Å; V876-L928 HydrophobicContact CG2-CD1 3.91Å; V876-L928 HydrophobicContact CG2-CD2 4.11Å; V876-L928 HydrophobicContact CG2-CG 4.15Å; L881-L928 HydrophobicContact CD2-CD1 3.91Å; C923-L928 CarbonylContact C-O 3.58Å; C923-L928 HydrophobicContact CB-CB 3.85Å; C923-L928 PolarHBondContact O-N 2.8Å; I926-L928 VanDerWaalsContact C-N 3.27Å; I926-L928 PolarHBondContact O-N 2.71Å
929T89.6Confident89Confident67 Ų6756.4 Ų56.441%0.41133%0.327SS..EExtended strand (participates in β ladder)trans-98.3107.9177.8-56.80000110.6L870 L871L870-T929 WeakPolarHBondContact CA-O 3.4Å; L871-T929 PolarHBondContact N-O 2.86Å; L871-T929 PolarHBondContact O-N 2.99Å; L871-T929 VanDerWaalsContact O-N 3.16Å
930A92.2Very high89Confident20 Ų2062.9 Ų62.917%0.16536%0.355CS..EExtended strand (participates in β ladder)trans-91.5136.3178.800000112.3I868 V869 L870 L916 L919I868-A930 HydrophobicContact CG2-CB 4.24Å; V869-A930 CarbonylContact O-C 3.57Å; V869-A930 WeakPolarHBondContact O-CA 3.39Å; L870-A930 HydrophobicContact CD2-CB 3.6Å; L916-A930 HydrophobicContact CD1-CB 3.4Å; L916-A930 VanDerWaalsContact CD1-CB 3.4Å; L919-A930 HydrophobicContact CD2-CB 4.05Å
931H91.5Very high88.9Confident69 Ų6961 Ų6132%0.31935%0.347SS..EExtended strand (participates in β ladder)trans-147.6159173.764.5-77.5000112.6I868 V869I868-H931 CarbonylContact C-O 3.51Å; I868-H931 WeakPolarHBondContact CA-O 3.38Å; V869-H931 VanDerWaalsContact CG1-CE1 3.44Å; V869-H931 WeakPolarHBondContact CG1-CE1 3.4Å; V869-H931 PolarHBondContact N-O 2.83Å; V869-H931 PolarHBondContact O-N 3.45Å; V869-H931 PolarHBondContact O-ND1 2.9Å
932L93.8Very high88.8Confident48 Ų4859.7 Ų59.725%0.25134%0.335SS..EExtended strand (participates in β ladder)trans-79.9136.6173.4-67.8165.6000110.8Q866 W867 I868 A912 E913 L916Q866-L932 HydrophobicContact CB-CD2 4.36Å; W867-L932 WeakPolarHBondContact O-CA 3.25Å; I868-L932 HydrophobicContact CG1-CD2 4.13Å; A912-L932 HydrophobicContact CB-CD2 3.48Å; A912-L932 VanDerWaalsContact CB-CD2 3.48Å; E913-L932 HydrophobicContact CG-CD1 3.91Å; L916-L932 HydrophobicContact CD2-CD1 4.26Å; L916-L932 HydrophobicContact CD2-CD2 4.48Å; L916-L932 HydrophobicContact CD2-CG 3.83Å
933A91.5Very high88.8Confident4 Ų461.3 Ų61.33%0.03334%0.343CS..EExtended strand (participates in β ladder)trans-137.5155.3177.600000111.7W867 V869 E937 V938W867-A933 PolarHBondContact N-O 3.45Å; W867-A933 PolarHBondContact O-N 2.87Å; V869-A933 HydrophobicContact CB-CB 4.39Å; V869-A933 HydrophobicContact CG2-CB 3.58Å; A933-E937 WeakPolarHBondContact CA-OE2 3.23Å; A933-E937 HydrophobicContact CB-CB 4.26Å; A933-V938 HydrophobicContact CB-CG2 4.03Å
934K90.8Very high88.5Confident131 Ų13165.6 Ų65.657%0.5737%0.369SS*.  trans-88.2160.5173.1-59.6174.4-162.5122.20110.8A936 E937 V938K934-A936 VanDerWaalsContact C-N 3.26Å; K934-A936 PolarHBondContact O-N 3.11Å; K934-E937 HydrophobicContact CB-CG 4.39Å; K934-E937 PolarHBondContact N-OE2 3.3Å; K934-E937 IonicContact NZ-OE1 3.65Å; K934-E937 PolarHBondContact NZ-OE1 3.23Å; K934-E937 WeakPolarHBondContact O-CB 3.42Å; K934-E937 PolarHBondContact O-N 3.41Å; K934-V938 PolarHBondContact O-N 3.18Å; K934-V938 VanDerWaalsContact O-N 3.11Å
935D88.6Confident87.9Confident73 Ų7363.1 Ų63.139%0.3935%0.352SS..Hα-helixtrans-49.1-46.5175.7-67.3-60.5000112.3W867 K906 E937 V938 E939W867-D935 PolarHBondContact NE1-OD1 3.19Å; K906-D935 IonicContact NZ-OD1 2.77Å; K906-D935 PolarHBondContact NZ-OD1 3.43Å; K906-D935 IonicContact NZ-OD2 3.68Å; K906-D935 PolarHBondContact NZ-OD2 3.39Å; D935-E937 VanDerWaalsContact C-N 3.28Å; D935-E937 PolarHBondContact O-N 3.18Å; D935-V938 PolarHBondContact O-N 3.24Å; D935-E939 WeakPolarHBondContact O-CB 3.38Å; D935-E939 PolarHBondContact O-N 3.46Å
936A88Confident86.9Confident61 Ų6162 Ų6250%0.50434%0.339SS..Hα-helixtrans-72.4-10.9179.700000115.3K934 K940K934-A936 VanDerWaalsContact C-N 3.26Å; K934-A936 PolarHBondContact O-N 3.11Å; A936-K940 WeakPolarHBondContact O-CD 3.47Å; A936-K940 WeakPolarHBondContact O-CG 3.43Å
937E88.4Confident85.6Confident78 Ų7862.7 Ų62.736%0.36435%0.351SS..Hα-helixtrans-89.5-40.6172.8-69.7154.4-171.300109.3A933 K934 D935 K940 L941A933-E937 WeakPolarHBondContact CA-OE2 3.23Å; A933-E937 HydrophobicContact CB-CB 4.26Å; K934-E937 HydrophobicContact CB-CG 4.39Å; K934-E937 PolarHBondContact N-OE2 3.3Å; K934-E937 IonicContact NZ-OE1 3.65Å; K934-E937 PolarHBondContact NZ-OE1 3.23Å; K934-E937 WeakPolarHBondContact O-CB 3.42Å; K934-E937 PolarHBondContact O-N 3.41Å; D935-E937 VanDerWaalsContact C-N 3.28Å; D935-E937 PolarHBondContact O-N 3.18Å; E937-K940 PolarHBondContact O-N 3.32Å; E937-L941 PolarHBondContact O-N 2.77Å
938V90.9Very high83.9Confident3 Ų369.4 Ų69.42%0.01837%0.372CS..Hα-helixtrans-65.2-40.8171.7178.70000111.8W867 V869 A904 A933 K934 D935 K940 L941 I942W867-V938 HydrophobicContact CB-CG2 3.69Å; W867-V938 HydrophobicContact CD2-CB 4.48Å; W867-V938 HydrophobicContact CD2-CG1 4.26Å; W867-V938 HydrophobicContact CD2-CG2 4.02Å; W867-V938 HydrophobicContact CE3-CG1 4.44Å; W867-V938 HydrophobicContact CG-CB 4.41Å; W867-V938 HydrophobicContact CG-CG2 3.6Å; V869-V938 HydrophobicContact CG2-CG2 3.62Å; A904-V938 HydrophobicContact CB-CG1 3.8Å; A904-V938 HydrophobicContact CB-CG2 4.32Å; A933-V938 HydrophobicContact CB-CG2 4.03Å; K934-V938 PolarHBondContact O-N 3.18Å; K934-V938 VanDerWaalsContact O-N 3.11Å; D935-V938 PolarHBondContact O-N 3.24Å; V938-K940 VanDerWaalsContact C-N 3.3Å; V938-K940 PolarHBondContact O-N 2.77Å; V938-L941 PolarHBondContact O-N 3.36Å; V938-L941 VanDerWaalsContact O-N 3.17Å; V938-I942 HydrophobicContact CG1-CD1 3.92Å; V938-I942 HydrophobicContact CG1-CG1 4.45Å; V938-I942 WeakPolarHBondContact O-CG1 3.12Å; V938-I942 PolarHBondContact O-N 2.79Å
939E89.6Confident81.6Confident110 Ų11077.4 Ų77.451%0.51440%0.401SS..Hα-helixtrans-59.8-41.1176.4-162.3-169.8161.900111.6D935 L941 I942 Q943D935-E939 WeakPolarHBondContact O-CB 3.38Å; D935-E939 PolarHBondContact O-N 3.46Å; E939-L941 PolarHBondContact O-N 3.37Å; E939-I942 PolarHBondContact O-N 3.23Å; E939-Q943 WeakPolarHBondContact O-CB 3.49Å; E939-Q943 VanDerWaalsContact O-CG 3.28Å; E939-Q943 WeakPolarHBondContact O-CG 3.48Å; E939-Q943 PolarHBondContact O-N 3.24Å; E939-Q943 PolarHBondContact OE1-NE2 3.23Å
940K88.7Confident78.9Confident137 Ų13781.5 Ų81.560%0.59642%0.416SS*.Hα-helixtrans-62.8-40.9174.8-74.6174.8-178.9-1770112.6A936 E937 V938 I942 Q943 T944A936-K940 WeakPolarHBondContact O-CD 3.47Å; A936-K940 WeakPolarHBondContact O-CG 3.43Å; E937-K940 PolarHBondContact O-N 3.32Å; V938-K940 VanDerWaalsContact C-N 3.3Å; V938-K940 PolarHBondContact O-N 2.77Å; K940-I942 VanDerWaalsContact C-N 3.34Å; K940-Q943 PolarHBondContact O-N 2.91Å; K940-T944 WeakPolarHBondContact O-CG2 3.14Å; K940-T944 PolarHBondContact O-N 3.18Å; K940-T944 PolarHBondContact O-OG1 3.45Å
941L88Confident75.8Confident50 Ų5085.2 Ų85.226%0.26244%0.438SS..Hα-helixtrans-65-36.9175.7-69.3168.7000112.1V869 F902 E937 V938 E939 T944 S945V869-L941 HydrophobicContact CG1-CD1 3.89Å; V869-L941 HydrophobicContact CG2-CD1 4.32Å; F902-L941 HydrophobicContact CD1-CB 4.41Å; F902-L941 HydrophobicContact CD2-CB 4.49Å; F902-L941 HydrophobicContact CD2-CD1 4.49Å; F902-L941 HydrophobicContact CE1-CB 3.8Å; F902-L941 WeakPolarHBondContact CE1-O 3.26Å; F902-L941 HydrophobicContact CE2-CB 3.9Å; F902-L941 HydrophobicContact CZ-CB 3.51Å; E937-L941 PolarHBondContact O-N 2.77Å; V938-L941 PolarHBondContact O-N 3.36Å; V938-L941 VanDerWaalsContact O-N 3.17Å; E939-L941 PolarHBondContact O-N 3.37Å; L941-T944 PolarHBondContact O-OG1 3.39Å; L941-S945 WeakPolarHBondContact O-CB 3.42Å; L941-S945 PolarHBondContact O-N 3.36Å; L941-S945 VanDerWaalsContact O-N 3.11Å; L941-S945 PolarHBondContact O-OG 3.06Å
942I87.8Confident72.9Confident58 Ų5888.6 Ų88.630%0.29746%0.458SS..Hα-helixtrans-66.8-44.2173.1-65.3165.4000110.3V895 F902 V938 E939 K940 S945 S946V895-I942 HydrophobicContact CG1-CD1 3.97Å; V895-I942 HydrophobicContact CG1-CG1 4.11Å; V895-I942 HydrophobicContact CG2-CD1 4.42Å; F902-I942 HydrophobicContact CZ-CG1 4.24Å; V938-I942 HydrophobicContact CG1-CD1 3.92Å; V938-I942 HydrophobicContact CG1-CG1 4.45Å; V938-I942 WeakPolarHBondContact O-CG1 3.12Å; V938-I942 PolarHBondContact O-N 2.79Å; E939-I942 PolarHBondContact O-N 3.23Å; K940-I942 VanDerWaalsContact C-N 3.34Å; I942-S945 PolarHBondContact O-OG 3.3Å; I942-S946 WeakPolarHBondContact O-CB 3.43Å; I942-S946 PolarHBondContact O-N 3.31Å; I942-S946 PolarHBondContact O-OG 3.02Å
943Q86.3Confident70.1Confident98 Ų9895.8 Ų95.846%0.45849%0.488SS..Hα-helixtrans-63.5-45.2178.2-71.7172.811.400112.1E939 K940 S946 S947E939-Q943 WeakPolarHBondContact O-CB 3.49Å; E939-Q943 VanDerWaalsContact O-CG 3.28Å; E939-Q943 WeakPolarHBondContact O-CG 3.48Å; E939-Q943 PolarHBondContact O-N 3.24Å; E939-Q943 PolarHBondContact OE1-NE2 3.23Å; K940-Q943 PolarHBondContact O-N 2.91Å; Q943-S946 WeakPolarHBondContact O-CB 3.21Å; Q943-S946 PolarHBondContact O-N 2.58Å; Q943-S947 PolarHBondContact O-N 3.27Å; Q943-S947 PolarHBondContact O-OG 2.83Å
944T81.7Confident67.3Low91 Ų91104 Ų10456%0.55853%0.525SS*.Hα-helixtrans-66.2-41178.453.50000112.6K940 L941 S946 S947 H948K940-T944 WeakPolarHBondContact O-CG2 3.14Å; K940-T944 PolarHBondContact O-N 3.18Å; K940-T944 PolarHBondContact O-OG1 3.45Å; L941-T944 PolarHBondContact O-OG1 3.39Å; T944-S946 VanDerWaalsContact C-N 3.26Å; T944-S946 PolarHBondContact O-N 3.1Å; T944-S947 PolarHBondContact O-N 3.31Å; T944-H948 PolarHBondContact O-N 2.85Å
945S74.9Confident64.5Low22 Ų22103.1 Ų103.115%0.15454%0.536CS..Hα-helixtrans-67-25.7173.559.20000113.5L941 I942L941-S945 WeakPolarHBondContact O-CB 3.42Å; L941-S945 PolarHBondContact O-N 3.36Å; L941-S945 VanDerWaalsContact O-N 3.11Å; L941-S945 PolarHBondContact O-OG 3.06Å; I942-S945 PolarHBondContact O-OG 3.3Å
946S64.8Low61.9Low67 Ų67103.6 Ų103.647%0.46956%0.558SS.*Hα-helixtrans-73.7-42.3172.7-58.70000112.2I942 Q943 T944 H948 R949I942-S946 WeakPolarHBondContact O-CB 3.43Å; I942-S946 PolarHBondContact O-N 3.31Å; I942-S946 PolarHBondContact O-OG 3.02Å; Q943-S946 WeakPolarHBondContact O-CB 3.21Å; Q943-S946 PolarHBondContact O-N 2.58Å; T944-S946 VanDerWaalsContact C-N 3.26Å; T944-S946 PolarHBondContact O-N 3.1Å; S946-H948 PolarHBondContact O-N 2.77Å; S946-R949 PolarHBondContact O-N 2.75Å
947S55.2Low59.1Low90 Ų90104.1 Ų104.163%0.62957%0.569SS**Hα-helixtrans-61.4-28177-64.50000113.2Q943 T944 R949Q943-S947 PolarHBondContact O-N 3.27Å; Q943-S947 PolarHBondContact O-OG 2.83Å; T944-S947 PolarHBondContact O-N 3.31Å; S947-R949 PolarHBondContact O-N 2.94Å
948H48.9Very low56.5Low178 Ų178106.2 Ų106.282%0.82459%0.589SS**THydrogen-bonded Turntrans-76.12.5176.1-131.744.1000114.3T944 S946T944-H948 PolarHBondContact O-N 2.85Å; S946-H948 PolarHBondContact O-N 2.77Å
949R42.5Very low53.9Low170 Ų170113 Ų11364%0.64263%0.631SS**THydrogen-bonded Turntrans-108.79.5178.2-74.6-177.5164.8-92.9-2114.8P898 S946 S947 P951P898-R949 PolarHBondContact O-NH2 3.15Å; S946-R949 PolarHBondContact O-N 2.75Å; S947-R949 PolarHBondContact O-N 2.94Å; R949-P951 WeakPolarHBondContact O-CD 3.29Å
950Q32Very low51.2Low154 Ų154111 Ų11172%0.7264%0.64SS**  trans-81.8117.8171.7-74.4-67.5-1700110.9L952Q950-L952 PolarHBondContact O-N 3.35Å; Q950-L952 VanDerWaalsContact O-N 3.14Å
951P29Very low48.4Very low97 Ų97113.7 Ų113.763%0.6365%0.654SS**  trans-73.7104.5173.530-32.1000109.4R949 F953R949-P951 WeakPolarHBondContact O-CD 3.29Å; P951-F953 PolarHBondContact O-N 2.84Å
952L30.2Very low45.9Very low141 Ų141117.3 Ų117.374%0.73868%0.68SS**  trans-73.287.4-177.1-164.683.9000111.2Q950 Q954Q950-L952 PolarHBondContact O-N 3.35Å; Q950-L952 VanDerWaalsContact O-N 3.14Å; L952-Q954 HydrophobicContact CD2-CG 4.11Å; L952-Q954 PolarHBondContact O-N 3.06Å
953F34Very low42.9Very low199 Ų199118 Ų11887%0.87370%0.703SS**  trans-59.3107.2164.7-85.7-89.7000109.4P951P951-F953 PolarHBondContact O-N 2.84Å
954Q32.4Very low40.4Very low176 Ų176120.8 Ų120.882%0.82272%0.72SS**  trans-84.3122.5178.4-69.8-1730.800111.6L952L952-Q954 HydrophobicContact CD2-CG 4.11Å; L952-Q954 PolarHBondContact O-N 3.06Å
955S32.5Very low37.9Very low113 Ų113123 Ų12379%0.7973%0.732SS**  trans-131.3119.814257.70000107.7
956G33.3Very low35.9Very low83 Ų83132.5 Ų132.586%0.85677%0.765SS**  trans-64.7154.1165.300000109.8
957G30.3Very low34.4Very low72 Ų72136.4 Ų136.474%0.74278%0.781SS**  cis129.9177.518.700000108.1
958P33.6Very low33.8Very low121 Ų121138.3 Ų138.379%0.78679%0.789SS**  cis-123-159.6-11.828.7-5.2000111.7
959V36.5Very low33.5Very low146 Ų146134.9 Ų134.989%0.88578%0.782SS**  trans76.1133.7162.7-164.10000118.2
960G31.7Very low33.5Very low69 Ų69132.3 Ų132.371%0.71179%0.787SS**  trans127.9118.9150.900000117.2
961H30.9Very low34.1Very low193 Ų193130.4 Ų130.489%0.89479%0.788SS**  trans-98.1176.7160.5-56.3-91.7000109.6
962P34.9Very low35.1Very low125 Ų125131.8 Ų131.881%0.81280%0.797SS**  -129.3151.3-65.637.1-23.1000112.7
963G26Very low35.4Very low74 Ų74130.5 Ų130.576%0.76380%0.8SS**  trans96-172.2171.700000115
964L33.1Very low35.7Very low156 Ų156125.7 Ų125.782%0.81779%0.791SS**  trans69.2106.1-162.2-55.4-178.9000114.4
965V30.1Very low36Very low136 Ų136129.3 Ų129.382%0.82480%0.797SS**  trans-62.7134.6167.3174.50000109.7
966W31.6Very low36.2Very low222 Ų222127.1 Ų127.184%0.84179%0.793SS**  trans-140.8144.7164.1-78106.4000112.1
967D34.7Very low36.5Very low149 Ų149129.4 Ų129.480%0.79779%0.793SS**PPolyproline II helixtrans-70.2155.9-173.4-88.7-64000114.4P969D967-P969 WeakPolarHBondContact O-CD 3.04Å
968V41.5Very low36.9Very low131 Ų131130.4 Ų130.479%0.79479%0.794SS**PPolyproline II helixtrans-85.5116.2168.6177.80000109.1
969P41.9Very low37.5Very low106 Ų106131.6 Ų131.669%0.68880%0.799SS**PPolyproline II helixtrans-70.4141.2171.629.5-33.6000110.6D967D967-P969 WeakPolarHBondContact O-CD 3.04Å
970P42.6Very low37.8Very low116 Ų116129.5 Ų129.575%0.75379%0.789SS**PPolyproline II helixtrans-72.3154.3-178.430.2-35.6000112.5
971P46Very low38.5Very low114 Ų114134.6 Ų134.674%0.7479%0.793SS**PPolyproline II helixtrans-68.6147.3178.829.2-35.4000112.1
972P48.6Very low39.3Very low126 Ų126130.6 Ų130.682%0.81879%0.785SS**PPolyproline II helixtrans-71.8130.5179.928.7-34.2000112.4
973S37.6Very low39.8Very low113 Ų113130.1 Ų130.179%0.7978%0.782SS**PPolyproline II helixtrans-79.2165.2173.5-59.10000112.5
974S40.3Very low40.9Very low99 Ų99136.6 Ų136.669%0.69279%0.789SS**  trans73.7144.4-163.680.70000112
975W37.9Very low41.7Very low251 Ų251132 Ų13295%0.95178%0.78SS**  cis-116.3163.530.9-71.961000115.1
976G38.2Very low42.8Very low68 Ų68131.5 Ų131.570%0.70178%0.779SS**  trans-86179.2178.600000114.8
977P38.8Very low44.2Very low130 Ų130126.7 Ų126.784%0.84478%0.776SS**  trans-100.5161.9-158.737.8-37.1000117.2
978A39.1Very low45Very low94 Ų94125.3 Ų125.378%0.77778%0.776SS**  trans75.7102.7148.200000121.5
979T46.6Very low45.1Very low145 Ų145124.9 Ų124.989%0.8978%0.778SS**  trans-153.6138.6134.921.90000110.3
980P42.5Very low45.7Very low102 Ų102126.4 Ų126.466%0.66279%0.786SS**  trans-113.2177.4-177.838-29.7000116.1
981H46Very low45.6Very low176 Ų176129.9 Ų129.982%0.81579%0.792SS**  trans79.8159.5174.1-48.4-74.7000117.5
982P48Very low45.3Very low109 Ų109131.9 Ų131.971%0.70880%0.796SS**  cis-124.2175.7-17.621.42.2000113.8
983P45.9Very low45.3Very low115 Ų115131.5 Ų131.575%0.74779%0.793SS**  trans-101145-17037.1-34.1000117
984F48.5Very low45.3Very low210 Ų210133 Ų13392%0.92179%0.792SS**  trans-149.6162.1160.2-65-81.3000107.6
985G49Very low45.3Very low60 Ų60136.7 Ų136.762%0.61980%0.798SS**  cis179.1160.9-4.100000109.4
986P53.3Low45.1Very low126 Ų126132.6 Ų132.682%0.81879%0.792SS**PPolyproline II helixtrans-78.4148.1-174.631.2-34.9000113.5
987P60.9Low45.1Very low120 Ų120134.6 Ų134.678%0.77979%0.79SS**PPolyproline II helixtrans-74.2157.6177.731.1-35.4000113.2
988P52.9Low44.9Very low121 Ų121135.8 Ų135.879%0.78679%0.788SS**PPolyproline II helixtrans-87157-168.334.7-37.2000115.1
989S43.8Very low44.9Very low121 Ų121139 Ų13985%0.84679%0.792SS**PPolyproline II helixtrans-83.3151.9168.7-50.80000112.1
990V54.4Low44.3Very low139 Ų139136 Ų13684%0.84278%0.777SS**  trans-123.7138.5173.8-178.40000109.4
991Q40.3Very low44.3Very low188 Ų188140 Ų14088%0.87979%0.786SS**PPolyproline II helixtrans-99.7161-177.2-66.5177.8-74.800112.5
992L38Very low44.1Very low157 Ų157136 Ų13682%0.82278%0.784SS**PPolyproline II helixtrans-77.6161.2176.6-71.877.3000112.5
993P48.7Very low44Very low117 Ų117137 Ų13776%0.7679%0.791SS**PPolyproline II helixtrans-101.9132.7153.313.56.3000112.2
994D37.7Very low43.5Very low146 Ų146134.8 Ų134.878%0.78179%0.789SS**PPolyproline II helixtrans-83.8149.3175-66.7-67.6000113.7
995H40.9Very low43.4Very low176 Ų176130.8 Ų130.882%0.81578%0.783SS**  trans-147.798.2157.8-75.2-58.5000113.7
996M34.6Very low42.9Very low165 Ų165133.3 Ų133.381%0.81379%0.791SS**  trans59.4145.4132.2-53-98.9-7900119.2
997T37.1Very low42.1Very low109 Ų109132.3 Ų132.367%0.66979%0.788SS**  cis-157.4144.118.2-22.20000113.1
998L34.9Very low41.1Very low155 Ų155133.1 Ų133.181%0.81278%0.784SS**  trans7.6133.7153.2-60.1169000122.6
999L38.9Very low40.6Very low162 Ų162138.3 Ų138.385%0.84879%0.79SS**  161.992123.4-95138.5000109.1
1000S35.2Very low40.3Very low83 Ų83134.9 Ų134.958%0.5877%0.773SS**  63.1100.976-169.90000115
1001H41Very low39.7Very low184 Ų184133.2 Ų133.285%0.85276%0.76SS**  177.9167111.7-87.5-61.6000111.1
1002A42.4Very low39.7Very low92 Ų92126.6 Ų126.676%0.7674%0.741SS**  trans-141-155.4-165.500000111.6
1003P45.9Very low39.8Very low132 Ų132125.4 Ų125.486%0.85773%0.727SS**  -128173.4-85.839-24.7000113.9
1004G35.9Very low39.4Very low68 Ų68130.4 Ų130.470%0.70173%0.732SS**  trans135.4175.3152.200000118.6
1005P46.8Very low39.5Very low125 Ų125126.8 Ų126.881%0.81273%0.73SS**  -144.2-170.8-105.840.3-21.7000116.5
1006S36.5Very low39.3Very low113 Ų113121.7 Ų121.779%0.7973%0.725SS**  trans105.3161147.980.60000120.6
1007S37.6Very low39.6Very low106 Ų106118.6 Ų118.674%0.74171%0.711SS**  trans74.2145.9176.9-82.40000120.3
1008I40.8Very low39.6Very low136 Ų136119.1 Ų119.170%0.69771%0.706SS**  cis-170.2133.5-37.8-120.3161.8000109.9
1009Y41Very low39.8Very low231 Ų231120 Ų12091%0.90670%0.698SS**  trans60.4165.8174.5-67.9-140.7000114.6
1010G38.6Very low39.8Very low48 Ų48119.3 Ų119.350%0.49569%0.69SS.*  cis167.5135.7-12.100000112.5
1011D40.2Very low39.9Very low105 Ų105123.1 Ų123.156%0.56170%0.699SS**  trans85.7127.6154.9-57.925.8000120.1S213 A214 V215S213-D1011 WeakPolarHBondContact O-CA 3.28Å; S213-D1011 PolarHBondContact O-N 3.17Å; A214-D1011 VanDerWaalsContact C-CG 3.5Å; A214-D1011 WeakPolarHBondContact CA-OD1 3.22Å; A214-D1011 WeakPolarHBondContact CB-OD1 3.14Å; A214-D1011 VanDerWaalsContact N-CA 3.34Å; A214-D1011 PolarHBondContact N-OD1 3.33Å; V215-D1011 PolarHBondContact N-OD2 3.37Å
1012G41.5Very low39.6Very low48 Ų48121 Ų12150%0.49570%0.699SS.*  cis171156.6-12.400000117.5
1013Y39.8Very low39.3Very low132 Ų132131 Ų13152%0.51872%0.72SS.*  trans76.7140.6165.8-85.2-82.4000122.8M212 A214 V215M212-Y1013 PolarHBondContact O-N 3.25Å; A214-Y1013 WeakPolarHBondContact O-CD2 3.11Å; A214-Y1013 WeakPolarHBondContact O-CE2 2.91Å; V215-Y1013 HydrophobicContact CG2-CE2 3.91Å
1014Y40.3Very low38.9Very low222 Ų222131 Ų13187%0.87171%0.713SS**  trans47.7128.5167.3-71.2-80.1000118.8
1015G39.9Very low39.1Very low71 Ų71134.3 Ų134.373%0.73271%0.713SS**  cis168.7121.3-5.900000111.9
1016G36.7Very low38.7Very low69 Ų69134.8 Ų134.871%0.71171%0.708SS**  trans78.2121.7-176.800000113
1017L39.8Very low38.8Very low100 Ų100136.1 Ų136.152%0.52470%0.703SS.*  cis52.412718.6-87.899000114.5
1018E38.9Very low38.9Very low119 Ų119138 Ų13856%0.55670%0.701SS**  cis-168.2177.6-9.3-148.6-179.1-135.300109.6
1019R38.5Very low38.7Very low173 Ų173138.1 Ų138.165%0.65370%0.701SS**  trans87.8113.6166-67.7140.2-154.4-131.1-0.9115.4
1020H37.6Very low38.6Very low148 Ų148131.5 Ų131.569%0.68569%0.686SS**  72.7129.866.3-80.9-118.3000111.3
1021Q38.2Very low38.6Very low164 Ų164137.9 Ų137.977%0.76670%0.701SS**  cis-158.9125.8-6.6-147.3166.6-10.400108.9
1022T35.2Very low38.5Very low139 Ų139140.7 Ų140.785%0.85371%0.713SS**  trans-82.1135.2163.735.30000110.1
1023Y35.1Very low38.2Very low303 Ų303149.1 Ų149.1100%1.18873%0.732SS**  trans-79.20148.3-101.3-88.1000109.8

Retrieved 1,023 of 1,023 residues in 361.8 ms (Link to these results)