A0A5K4F1W0_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1W0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 842 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
1M36.2Very low34.7Very low228 Ų228142 Ų142100%1.12373%0.727SS**  086.50-178.5174.5-176.300106.1
2T33.7Very low34.4Very low80 Ų80139.3 Ų139.349%0.49173%0.73SS.*  trans-76.2128.4-179.435.40000108.5A754T2-A754 HydrophobicContact CG2-CB 3.62Å; T2-A754 WeakPolarHBondContact CG2-O 3.31Å
3I34.6Very low34Very low146 Ų146140.4 Ų140.475%0.74974%0.737SS**  trans-96.4114.4175.7-62.4176.7000106.2
4D33.4Very low33.7Very low110 Ų110137.5 Ų137.559%0.58873%0.731SS**  trans-63.9136.8174.5-172.30.9000109.9H6 T7D4-H6 PolarHBondContact O-N 2.93Å; D4-T7 PolarHBondContact O-N 3.17Å; D4-T7 PolarHBondContact O-OG1 3.1Å
5K39.8Very low33.6Very low182 Ų182139.3 Ų139.379%0.79174%0.74SS**THydrogen-bonded Turntrans-71.2-3.4-168.7-74.1-179.8177.7171.70114
6H42.4Very low33.6Very low158 Ų158139.2 Ų139.273%0.73175%0.746SS**THydrogen-bonded Turntrans-1131.2-175.5-65.2-77.7000115.2D4 V8D4-H6 PolarHBondContact O-N 2.93Å; H6-V8 VanDerWaalsContact C-N 3.31Å; H6-V8 PolarHBondContact O-N 3.03Å
7T33.3Very low33.6Very low82 Ų82141.8 Ų141.850%0.50375%0.752SS.*  trans-81.373179.4-19.80000112.8D4 F9D4-T7 PolarHBondContact O-N 3.17Å; D4-T7 PolarHBondContact O-OG1 3.1Å; T7-F9 HydrophobicContact CG2-CD2 3.9Å; T7-F9 HydrophobicContact CG2-CE2 3.51Å; T7-F9 HydrophobicContact CG2-CZ 4.25Å; T7-F9 PolarHBondContact O-N 2.92Å
8V33.9Very low33.5Very low128 Ų128139.4 Ų139.478%0.77675%0.749SS**  trans-68.498.2166.6-179.70000108.6H6 E10H6-V8 VanDerWaalsContact C-N 3.31Å; H6-V8 PolarHBondContact O-N 3.03Å; V8-E10 PolarHBondContact O-N 3.43Å; V8-E10 VanDerWaalsContact O-N 3.1Å
9F31Very low33.5Very low148 Ų148139.9 Ų139.965%0.64976%0.757SS**  trans-76.395.4171.5-91.1-82.7000110.4T7 T11T7-F9 HydrophobicContact CG2-CD2 3.9Å; T7-F9 HydrophobicContact CG2-CE2 3.51Å; T7-F9 HydrophobicContact CG2-CZ 4.25Å; T7-F9 PolarHBondContact O-N 2.92Å; F9-T11 PolarHBondContact O-N 2.73Å
10E31.2Very low33.6Very low169 Ų169141.8 Ų141.879%0.7976%0.758SS**  trans-63.494.1162.5-68.2-164.8122.600110.2V8 S12V8-E10 PolarHBondContact O-N 3.43Å; V8-E10 VanDerWaalsContact O-N 3.1Å; E10-S12 PolarHBondContact O-N 3.13Å
11T32.8Very low33.7Very low131 Ų131143.5 Ų143.580%0.80476%0.761SS**  trans-7972.2166.242.40000109.8F9 N13F9-T11 PolarHBondContact O-N 2.73Å; T11-N13 PolarHBondContact O-N 3.29Å
12S30.6Very low33.4Very low109 Ų109141.4 Ų141.476%0.76275%0.753SS**  trans-56109.8173.846.90000110.4E10 P14E10-S12 PolarHBondContact O-N 3.13Å; S12-P14 WeakPolarHBondContact O-CD 3.45Å
13N28.6Very low33.3Very low154 Ų154143 Ų14382%0.82477%0.768SS**  trans-84.6114.3-179.5-153.323.7000108T11T11-N13 PolarHBondContact O-N 3.29Å
14P30.3Very low33Very low100 Ų100139.8 Ų139.865%0.64977%0.771SS**  trans-73169.2178.632.1-35.7000111.3S12S12-P14 WeakPolarHBondContact O-CD 3.45Å
15L31.6Very low32.9Very low165 Ų165142 Ų14286%0.86478%0.781SS**  trans73.9113.6-172.5-42.9167.2000111.3
16T34Very low32.3Very low137 Ų137137.9 Ų137.984%0.8478%0.781SS**  cis-145.2154.735.646.20000114.2
17E34.3Very low31.8Very low183 Ų183139.6 Ų139.686%0.85579%0.787SS**  trans-76.9151179.4-65.2177.19400115.2
18S32Very low31.7Very low99 Ų99143.5 Ų143.569%0.69280%0.799SS**  trans56.3103.314566.30000120.1
19V33Very low31.3Very low149 Ų149141.5 Ų141.590%0.90379%0.791SS**  -126.299129.8-178.20000107.9
20K36.1Very low31.3Very low177 Ų177145.3 Ų145.377%0.7780%0.801SS**  trans-93161.3164.8-77-171.9174.2-176.20109.4
21H35.2Very low31.3Very low178 Ų178142.7 Ų142.782%0.82480%0.796SS**  trans73.585.4175-50.4-82.5000116.5
22L29.9Very low31.2Very low184 Ų184144.2 Ų144.296%0.96380%0.799SS**  -139.7134.3126.8-108.3169.6000107.9
23S30.9Very low31.2Very low113 Ų113141.8 Ų141.879%0.7979%0.791SS**  trans-130.9131.1-169.853.60000111
24G29.3Very low31.4Very low79 Ų79142.1 Ų142.181%0.81479%0.787SS**  trans84.781.6165.300000115.9
25I30.7Very low31.4Very low157 Ų157144.8 Ų144.881%0.80579%0.789SS**  trans-134.1120140.4-52.3178.8000106.6F27I25-F27 HydrophobicContact CG2-CD2 3.79Å; I25-F27 HydrophobicContact CG2-CE2 4.31Å
26A26.6Very low31.4Very low96 Ų96143.7 Ų143.779%0.79378%0.779SS**  trans-102.6138.1163.700000107.8
27F31.9Very low31.3Very low194 Ų194143.2 Ų143.285%0.85177%0.771SS**  trans-135.5127.6168.2-109.4-74.1000111.6I25I25-F27 HydrophobicContact CG2-CD2 3.79Å; I25-F27 HydrophobicContact CG2-CE2 4.31Å
28E31.5Very low31.1Very low164 Ų164140.2 Ų140.277%0.76676%0.761SS**  trans-64.6146.8-167.6-53.8174117.600115.2
29S27.1Very low31.1Very low86 Ų86142.8 Ų142.860%0.60176%0.763SS**  trans30.7129.8134.574.40000121.1
30R30.6Very low31Very low228 Ų228141.4 Ų141.486%0.8675%0.749SS**  163.6153.1116.9-88165.4-149.5-147.87.4109.9
31V30.6Very low30.7Very low113 Ų113140.3 Ų140.369%0.68575%0.745SS**  cis-174.2131.8-33.6114.50000105.8
32L31Very low30.6Very low164 Ų164139.5 Ų139.586%0.85974%0.741SS**  trans53.2150.2168.5-8254.8000119
33G30.7Very low30.5Very low58 Ų58136.7 Ų136.760%0.59874%0.737SS**  cis140142.5-1000000113.9
34H32.1Very low30.3Very low161 Ų161137 Ų13775%0.74574%0.739SS**  trans64.5155.8156.8-66.4-68.6000119.4
35F29.8Very low30.5Very low155 Ų155137.7 Ų137.768%0.6874%0.737SS**  cis-169.1162.1-34.2-118-159.5000109.5
36Q33.4Very low30.6Very low142 Ų142135.7 Ų135.766%0.66474%0.737SS**  trans50.1122.8141.7-69.8178-24.300123.8
37N30.7Very low30.8Very low127 Ų127138.5 Ų138.568%0.67974%0.738SS**  86121.7121.2-62.28.1000123.7
38N31Very low30.6Very low121 Ų121135.1 Ų135.165%0.64774%0.736SS**  69.7110.1126.8-68.737.5000123.1
39E31.4Very low30.5Very low153 Ų153133.9 Ų133.972%0.71573%0.728SS**  100.3127.2113-84.3-175.1-16600123.9
40L31Very low30.6Very low120 Ų120138.2 Ų138.263%0.62874%0.743SS**  trans92124.5137.1-71.1175.5000123.5
41F29.6Very low30.5Very low153 Ų153133.1 Ų133.167%0.67174%0.738SS**  trans75.9119.1147.2-65.1-48000124
42H32.4Very low30.4Very low161 Ų161133.8 Ų133.875%0.74574%0.744SS**  trans48.8111.5137.9-54.2-48.4000120.9
43S28.4Very low30.4Very low125 Ų125131.1 Ų131.187%0.87474%0.739SS**  -177157.997.3-80.60000113.1
44S27.7Very low30.6Very low121 Ų121134 Ų13485%0.84675%0.748SS**  trans-101.9127.6-171.756.90000114.5
45A32Very low30.6Very low93 Ų93132.6 Ų132.677%0.76975%0.745SS**  trans-158.7157.1157.200000113.4
46S32.6Very low30.5Very low115 Ų115132 Ų13280%0.80475%0.748SS**  trans5184.8160.256.10000119.9
47L30.7Very low30.5Very low155 Ų155132.6 Ų132.681%0.81275%0.748SS**  trans-70.9158.8141.2-84.5167.4000110.2
48P28.9Very low30.5Very low123 Ų123133.2 Ų133.280%0.79975%0.751SS**  -129.3141.5112.235.9-30.7000114.2
49K28.9Very low30.4Very low138 Ų138138.7 Ų138.760%0.676%0.763SS**  trans-65.3143.4173.2-67.6170.4169.5172.50112Y584K49-Y584 PolarHBondContact NZ-OH 3.43Å
50L29.2Very low30.5Very low177 Ų177136.2 Ų136.293%0.92776%0.763SS**  trans-128.394.1148.5-76.2179.9000111.3
51T28.5Very low30.6Very low121 Ų121141.5 Ų141.574%0.74277%0.774SS**  trans-136.9140.3155.4480000105.7
52P28.9Very low30.5Very low127 Ų127141.9 Ų141.983%0.82578%0.783SS**  -145.8173.272.940.7-23000116.6
53S30.9Very low30.3Very low108 Ų108138.8 Ų138.876%0.75578%0.779SS**  trans-67.6-176.1158.9-29.80000111.5
54P34.8Very low30.6Very low119 Ų119137.7 Ų137.777%0.77377%0.771SS**  cis-133.3178.5-6.242.3-27.2000114.4
55D31.7Very low30.8Very low130 Ų130138.2 Ų138.270%0.69576%0.763SS**  trans-154.5162139.4-159.612.3000112.1K57D55-K57 IonicContact OD1-NZ 3.93Å; D55-K57 IonicContact OD2-NZ 3.78Å; D55-K57 PolarHBondContact OD2-NZ 3.13Å
56I28.9Very low30.7Very low143 Ų143140.3 Ų140.373%0.73376%0.762SS**  trans-120.3129.5-173.5-62164.9000109.9
57K32Very low30.6Very low154 Ų154141.9 Ų141.967%0.6776%0.761SS**  trans-154.6120.3154.6-94.3113.5-153.3165.10115.1D55D55-K57 IonicContact OD1-NZ 3.93Å; D55-K57 IonicContact OD2-NZ 3.78Å; D55-K57 PolarHBondContact OD2-NZ 3.13Å
58N30.4Very low30.4Very low140 Ų140144.1 Ų144.175%0.74976%0.764SS**  trans60.9101.6136.1-58.3-18.2000121.5
59R29.9Very low30.2Very low237 Ų237143.8 Ų143.889%0.89476%0.762SS**  -177.1100.6106.6-95.7165.6-171.9-1461.3109.8
60S32.7Very low29.9Very low101 Ų101144.6 Ų144.671%0.70677%0.772SS**  80.3120.48770.60000113
61R32.7Very low29.7Very low230 Ų230142.4 Ų142.487%0.86877%0.766SS**  cis-144.8142.710.6-79.2160.3-179.3-176.6-2.6108.4
62L28.5Very low29.4Very low162 Ų162143.5 Ų143.585%0.84877%0.766SS**  46.1128.687.5-66.4173.6000114.7
63S29.2Very low29.1Very low95 Ų95144.4 Ų144.466%0.66476%0.764SS**  cis-148.1-172.3-6.459.20000108.6
64S33.7Very low28.7Very low102 Ų102146.4 Ų146.471%0.71377%0.765SS**  cis-152.7161.724.4-56.20000108.9
65I30.9Very low28.2Very low133 Ų133145.6 Ų145.668%0.68276%0.762SS**  cis102.5128.117.9-61.1168.3000114.4
66N30Very low27.8Very low137 Ų137147 Ų14773%0.73377%0.769SS**  trans72.1135.1179.3-65.3-3.7000118
67N30.9Very low27.8Very low147 Ų147146.4 Ų146.479%0.78678%0.775SS**  cis-145.9165.2-0.1-106.8-22.9000114.1
68K26.3Very low27.4Very low202 Ų202142.5 Ų142.588%0.87878%0.778SS**  trans-93.7-179.1-177.1-69.6-178-179.8177.70112
69P25.7Very low27.1Very low116 Ų116146.1 Ų146.175%0.75379%0.788SS**  cis-132.9174.23.241.4-24.3000117.2
70L22.4Very low27.1Very low156 Ų156139.6 Ų139.682%0.81778%0.778SS**  trans-88.2146.9159.2-92.6157.8000110.3
71V25.4Very low26.9Very low131 Ų131140.5 Ų140.579%0.79478%0.782SS**  trans-128.2127156.3178.80000107.7
72L21.7Very low26.6Very low143 Ų143136.1 Ų136.175%0.74977%0.774SS**  trans-112.7139.9166.9-88.6162.7000107.2
73N23Very low26.7Very low147 Ų147135.3 Ų135.379%0.78677%0.771SS**  trans-138141.2161.7-159.918.4000108.7
74I22Very low26.7Very low149 Ų149136 Ų13676%0.76477%0.772SS**  trans-135114.8-170.7-56174.8000108.2
75S24Very low26.5Very low102 Ų102136.3 Ų136.371%0.71378%0.775SS**  trans-160.997.5176.156.40000112.5
76N23.6Very low26.5Very low159 Ų159139.2 Ų139.285%0.8578%0.783SS**  trans-81.4171.8144.9-77.3-11000108.2
77P28Very low26.3Very low132 Ų132137.4 Ų137.486%0.85778%0.781SS**  cis-122.4-164.8-12.540.5-25.8000111.3
78G24Very low26.2Very low71 Ų71136.3 Ų136.373%0.73278%0.78SS**  trans125.8157.4153.200000117.3
79F24Very low26.2Very low217 Ų217132.2 Ų132.295%0.95277%0.772SS**  trans-86168.4-171.9-84.2-101.1000115
80S30.9Very low26.5Very low99 Ų99132.4 Ų132.469%0.69277%0.771SS**  trans-61.2164.8-177.2-38.20000116.1
81P27.6Very low26.6Very low121 Ų121128.2 Ų128.279%0.78677%0.766SS**  -127139.4935.316.5000112.5
82I27.5Very low26.8Very low138 Ų138130.1 Ų130.171%0.70877%0.77SS**  92.9136.758.5-73.9167.9000113.8
83N29.1Very low26.9Very low145 Ų145134.6 Ų134.678%0.77578%0.777SS**  trans77.6150.7165.7-78.3-12.8000120.1
84P29.9Very low27.6Very low108 Ų108132.6 Ų132.670%0.70177%0.773SS**  cis-143.1151.9-43.636.7-20000115.1
85S28.8Very low27.8Very low110 Ų110130 Ų13077%0.76977%0.766SS**  175.8137.6118.142.90000113.4
86K30.7Very low27.9Very low194 Ų194131 Ų13184%0.84377%0.772SS**  trans53.885.9162.2-62.2178.7-178.3179.90116.1
87S27Very low27.8Very low98 Ų98129.1 Ų129.169%0.68576%0.761SS**  74.7124.78269.40000112.7
88T28.2Very low27.9Very low125 Ų125128.5 Ų128.577%0.76776%0.76SS**  cis-164.4164.210.8-0.30000107.9
89T27.6Very low27.9Very low116 Ų116132.1 Ų132.171%0.71276%0.762SS**  cis-146-151.614.6-28.70000110.7
90T31.5Very low27.9Very low119 Ų119125.8 Ų125.873%0.7374%0.744SS**  trans-30.8137.9157.847.40000115.5
91G24.1Very low27.7Very low69 Ų69128.7 Ų128.771%0.71175%0.752SS**  cis85.4104.1-1.800000115.1
92L28.6Very low27.5Very low170 Ų170133.2 Ų133.289%0.8975%0.753SS**  trans-171.8143.7156.5-102.7161.8000109.4
93W23.9Very low27.4Very low237 Ų237133.3 Ų133.390%0.89875%0.754SS**  trans-113.4-177.8170.7-85.949.5000108.4
94P38.4Very low27.3Very low106 Ų106132.1 Ų132.169%0.68875%0.746SS**  -108.9-178.2-69.842.1-28.4000109.6
95P25.8Very low27.2Very low95 Ų95133.1 Ų133.162%0.61775%0.745SS**  -153-169.48239.7-18.7000114I97P95-I97 HydrophobicContact CG-CD1 4.06Å; P95-I97 HydrophobicContact CG-CG1 4.03Å; P95-I97 PolarHBondContact O-N 3.16Å
96S25.8Very low27.2Very low122 Ų122136.1 Ų136.185%0.85375%0.745SS**  trans-65.6113.416850.80000112
97I23.2Very low27.1Very low120 Ų120133.2 Ų133.262%0.61574%0.739SS**  trans-133.9111.5176.3-63.2179.6000108.9P95 L99P95-I97 HydrophobicContact CG-CD1 4.06Å; P95-I97 HydrophobicContact CG-CG1 4.03Å; P95-I97 PolarHBondContact O-N 3.16Å; I97-L99 HydrophobicContact CG2-CD1 4.37Å
98S29.6Very low27.1Very low118 Ų118136.1 Ų136.183%0.82575%0.746SS**  trans-71.6157.4155.2-176.90000108.9
99L23.1Very low27.1Very low148 Ų148133.8 Ų133.878%0.77575%0.747SS**  trans111.6131.6-166.2-66.3156.9000109.8I97I97-L99 HydrophobicContact CG2-CD1 4.37Å
100S24.4Very low27.1Very low84 Ų84135.9 Ų135.959%0.58775%0.754SS**  cis-161.2160.7-8.5-89.80000109.2R102S100-R102 PolarHBondContact O-N 3.26Å
101N26.1Very low26.9Very low159 Ų159135.4 Ų135.485%0.8576%0.756SS**  trans-6099.5155.3-74.1-23.5000108.4I103N101-I103 VanDerWaalsContact C-N 3.29Å; N101-I103 PolarHBondContact O-N 2.89Å
102R24.7Very low27Very low217 Ų217139.1 Ų139.182%0.81976%0.759SS**  trans-74.882.8-178.7-101.6-170.1174.7-167.8-0.1110.5S100 I104S100-R102 PolarHBondContact O-N 3.26Å; R102-I104 VanDerWaalsContact C-N 3.32Å; R102-I104 HydrophobicContact CB-CG1 4.43Å; R102-I104 PolarHBondContact O-N 2.98Å
103I25Very low26.8Very low139 Ų139138 Ų13871%0.71375%0.752SS**  trans-6494.4162.7-58.1171.1000107.3N101 N105 L112N101-I103 VanDerWaalsContact C-N 3.29Å; N101-I103 PolarHBondContact O-N 2.89Å; I103-N105 PolarHBondContact O-N 3.05Å; I103-L112 HydrophobicContact CG2-CD1 4.39Å
104I28Very low26.9Very low121 Ų121135 Ų13562%0.62175%0.752SS**  trans-87.190.2172.3-60.7-179.1000107.6R102 K106R102-I104 VanDerWaalsContact C-N 3.32Å; R102-I104 HydrophobicContact CB-CG1 4.43Å; R102-I104 PolarHBondContact O-N 2.98Å; I104-K106 HydrophobicContact CG2-CG 4.36Å; I104-K106 PolarHBondContact O-N 2.82Å
105N26.4Very low26.3Very low128 Ų128136.6 Ų136.668%0.68475%0.751SS**  trans-61.6119.3165.8177.7-5.1000109.1I103 N107I103-N105 PolarHBondContact O-N 3.05Å; N105-N107 PolarHBondContact OD1-N 3.46Å
106K28.8Very low26.3Very low174 Ų174139.8 Ų139.876%0.75776%0.763SS**  trans-133.2103.7160.4-83.8-167.8174-176.60110.5I104I104-K106 HydrophobicContact CG2-CG 4.36Å; I104-K106 PolarHBondContact O-N 2.82Å
107N28.1Very low26.3Very low133 Ų133141.4 Ų141.471%0.71176%0.762SS**SBendtrans79.4125.5161-50.7-9.4000116.2N105N105-N107 PolarHBondContact OD1-N 3.46Å
108N28Very low26.3Very low158 Ų158138.8 Ų138.885%0.84577%0.765SS**SBendtrans62.465.5151.1-56.13.5000117.2
109G27.3Very low26.1Very low77 Ų77143.4 Ų143.479%0.79477%0.77SS**  trans48.673.2134.700000118.4
110D27.9Very low26.2Very low160 Ų160140.9 Ų140.986%0.85676%0.761SS**  trans-151163.2149.4-122.1-32.7000110.8L112D110-L112 PolarHBondContact O-N 3.3Å
111S27Very low26.1Very low109 Ų109142.9 Ų142.976%0.76277%0.772SS**  trans-77.1122.1-173.4-67.10000112.8I113S111-I113 PolarHBondContact O-N 3.46Å; S111-I113 VanDerWaalsContact O-N 3.1Å
112L26.6Very low26Very low147 Ų147143.7 Ų143.777%0.7777%0.767SS**  trans-72.9101.3-178.5-80.4169.1000112.8I103 D110I103-L112 HydrophobicContact CG2-CD1 4.39Å; D110-L112 PolarHBondContact O-N 3.3Å
113I24.7Very low26.2Very low146 Ų146137.8 Ų137.875%0.74977%0.765SS**  trans-84.5118.5164.4-60.4172.1000108.4S111 Q115S111-I113 PolarHBondContact O-N 3.46Å; S111-I113 VanDerWaalsContact O-N 3.1Å; I113-Q115 HydrophobicContact CG2-CG 4.32Å; I113-Q115 PolarHBondContact O-N 3.23Å
114L27.2Very low26.1Very low173 Ų173138.6 Ų138.691%0.90677%0.768SS**  trans-86.5105.5168.5-86.4167.2000109.9
115Q24.8Very low26Very low141 Ų141137.7 Ų137.766%0.65977%0.772SS**  trans-78.8151.2169-62-178.3-90.100110.6I113I113-Q115 HydrophobicContact CG2-CG 4.32Å; I113-Q115 PolarHBondContact O-N 3.23Å
116N26.2Very low26Very low162 Ų162137.8 Ų137.887%0.86677%0.773SS**  trans-138.6135.2158.6-136.8-6.8000106.5
117D25Very low25.8Very low155 Ų155137.3 Ų137.383%0.82977%0.773SS**  trans-75.2134.5-153.6-71.3-67.7000115.8
118G24.3Very low25.7Very low66 Ų66137.9 Ų137.968%0.6877%0.772SS**SBendtrans-169.428.7-174.100000116.4
119F25.1Very low25.5Very low215 Ų215136.5 Ų136.594%0.94376%0.764SS**  trans70.3135.5-173.3-78.8-92.2000117
120V24Very low25.4Very low95 Ų95139.3 Ų139.358%0.57677%0.77SS**  trans-127.4133.5-169.4173.60000110.5K122V120-K122 HydrophobicContact CG1-CB 4.21Å
121P23.2Very low25.1Very low126 Ų126143.2 Ų143.282%0.81877%0.773SS**  trans-89.1124.1163.433.1-28.7000110.7
122K24.8Very low25.2Very low175 Ų175144.9 Ų144.976%0.76177%0.772SS**  trans-154.697176-166.7167.7-175.3173.10115.9V120V120-K122 HydrophobicContact CG1-CB 4.21Å
123A27.1Very low25.2Very low93 Ų93143.8 Ų143.877%0.76977%0.774SS**  trans-175.5109.1150.900000104.6
124M24.7Very low25.3Very low156 Ų156143 Ų14377%0.76878%0.775SS**  cis67.613149.9-54.4-149.2-27.500114.6
125S25.1Very low25.2Very low102 Ų102139.9 Ų139.971%0.71377%0.768SS**  trans66.9135173.7-87.90000116
126D25.5Very low25.2Very low131 Ų131140.2 Ų140.270%0.70177%0.773SS**  cis-151.6154.78.1-80.8-47000112
127Q25.7Very low25.2Very low164 Ų164138.9 Ų138.977%0.76676%0.764SS**  trans58.4156.4152.2-68.7-178.7-40.200118.9
128Q26.1Very low25.2Very low144 Ų144137 Ų13767%0.67375%0.754SS**  cis-153.4160.1-5-126.4169.8-39.100111.6
129D24Very low25.2Very low130 Ų130139.2 Ų139.270%0.69575%0.751SS**  trans15.4126.9156.4-58.9-51.1000122
130C23.7Very low25.3Very low135 Ų135136.6 Ų136.691%0.91274%0.742SS**  -172.7150.6106.5-95.70000115.8
131R23.3Very low25.3Very low243 Ų243138.3 Ų138.392%0.91775%0.752SS**  trans-80.7162.2-158.4-62.2171.6177173.9-2116.8
132I28.4Very low25.5Very low144 Ų144139.1 Ų139.174%0.73876%0.755SS**  trans-67.4166.1166.5-22.9176.3000111.5T134I132-T134 HydrophobicContact CG2-CG2 4.23Å
133P25.8Very low25.4Very low124 Ų124137 Ų13781%0.80576%0.756SS**  -135.5150.511937.9-29.1000115.1
134T26.7Very low25.4Very low128 Ų128141.7 Ų141.779%0.78576%0.759SS**  trans-118.2132.2175.148.30000111.7I132I132-T134 HydrophobicContact CG2-CG2 4.23Å
135S25.1Very low25.3Very low108 Ų108141.9 Ų141.976%0.75576%0.763SS**  trans-170.7159.6171.459.60000108.2
136I25.5Very low25.2Very low149 Ų149142.6 Ų142.676%0.76477%0.765SS**  cis-174.3150-11.1-107.5172000103.3
137I25.6Very low25Very low133 Ų133141.2 Ų141.268%0.68277%0.766SS**  cis178.5171.1-5-146.2174.7000106.3
138N25.3Very low24.8Very low115 Ų115138.5 Ų138.562%0.61577%0.765SS**  trans66.4113.9158.3-76.743.8000124.2
139D25.4Very low24.7Very low114 Ų114138.8 Ų138.861%0.6177%0.77SS**  111.9141.5102.2-80.69.2000125.5
140Q27.2Very low24.5Very low160 Ų160138.9 Ų138.975%0.74878%0.779SS**  trans72.582.4144-70.8166.859.300120.1
141T24.2Very low24.5Very low130 Ų130139.9 Ų139.980%0.79877%0.774SS**  2.8137.5128.854.80000119.5
142V26.3Very low24.5Very low144 Ų144131.9 Ų131.987%0.87376%0.76SS**  -163.5151.3116134.70000112
143V23.2Very low24.2Very low129 Ų129129.6 Ų129.678%0.78276%0.763SS**  trans-77.1138.5-173.7171.80000113.7
144K26.3Very low24.1Very low193 Ų193131 Ų13184%0.83976%0.764SS**  trans-174.1124.5133.8-103.3157.5-174177.30113.4
145N22.4Very low23.9Very low160 Ų160132.8 Ų132.886%0.85677%0.768SS**  trans-66.9144.1150.6-90.7-25.5000108.1
146P23.7Very low23.6Very low117 Ų117131.8 Ų131.876%0.7677%0.767SS**  -138.5171.1103.539.1-28.6000114.6
147S21.6Very low23.4Very low102 Ų102130.3 Ų130.371%0.71377%0.77SS**  trans-60161.917247.30000114.5
148S21.9Very low23.2Very low106 Ų106129.6 Ų129.674%0.74177%0.771SS**  trans55.6101162.258.20000117.6
149I22.6Very low22.9Very low151 Ų151130 Ų13077%0.77478%0.778SS**  trans-125.2118.1153.9-63.2-179.9000108.3L151I149-L151 HydrophobicContact CG2-CD1 3.86Å; I149-L151 HydrophobicContact CG2-CG 3.91Å
150C20.3Very low22.7Very low131 Ų131131.6 Ų131.689%0.88579%0.785SS**  trans-88.8120.1167.8-64.90000109.4
151L23.4Very low22.4Very low157 Ų157128.6 Ų128.682%0.82278%0.782SS**  trans-141.7140.4168-76.6164.4000107.3I149I149-L151 HydrophobicContact CG2-CD1 3.86Å; I149-L151 HydrophobicContact CG2-CG 3.91Å
152A23.6Very low22.4Very low74 Ų74128.3 Ų128.361%0.61278%0.782SS**  cis-178.4122.6-19.100000101.7N154A152-N154 PolarHBondContact O-N 3.27Å; A152-N154 VanDerWaalsContact O-N 3.13Å
153A21.6Very low22.2Very low97 Ų97125.9 Ų125.980%0.80278%0.777SS**  trans-73.9109.8-171.800000111.2
154N23.9Very low22.3Very low154 Ų154127.1 Ų127.182%0.82478%0.779SS**  trans-104115.3167.5-87.1-31.6000109.7A152 A156A152-N154 PolarHBondContact O-N 3.27Å; A152-N154 VanDerWaalsContact O-N 3.13Å; N154-A156 PolarHBondContact O-N 3.23Å
155N22.3Very low22.2Very low165 Ų165122.9 Ų122.988%0.88277%0.771SS**  trans-74.9110.5-176.3-66.6-50000111.2
156A20.3Very low22.3Very low87 Ų87122.7 Ų122.772%0.71977%0.77SS**  trans-122.494.7173.600000110.7N154 V158N154-A156 PolarHBondContact O-N 3.23Å; A156-V158 PolarHBondContact O-N 3.02Å
157S20.5Very low22.3Very low118 Ų118128.6 Ų128.683%0.82578%0.777SS**  trans-78.9103.217855.40000111.6
158V20.3Very low22.5Very low118 Ų118129.2 Ų129.272%0.71577%0.771SS**  trans-96.3102177.9-174.60000110.9A156 I160A156-V158 PolarHBondContact O-N 3.02Å; V158-I160 HydrophobicContact CG1-CD1 4.38Å; V158-I160 HydrophobicContact CG1-CG1 3.93Å; V158-I160 PolarHBondContact O-N 3.38Å
159T19.5Very low22.6Very low124 Ų124130.5 Ų130.576%0.76178%0.775SS**  trans-83.898.2178.7-52.30000111S161T159-S161 PolarHBondContact O-N 3.33Å
160I22.2Very low22.6Very low146 Ų146129.3 Ų129.375%0.74978%0.78SS**  trans-91.393.8177.6-52.7-177000110.5V158V158-I160 HydrophobicContact CG1-CD1 4.38Å; V158-I160 HydrophobicContact CG1-CG1 3.93Å; V158-I160 PolarHBondContact O-N 3.38Å
161S20.1Very low22.8Very low98 Ų98128 Ų12869%0.68577%0.772SS**  trans-76.6122.5170-650000110.7T159 A163T159-S161 PolarHBondContact O-N 3.33Å; S161-A163 PolarHBondContact O-N 2.96Å
162P25.3Very low23Very low123 Ų123125.3 Ų125.380%0.79977%0.772SS**  trans-74.899.5179.129.4-33.7000111.2L164P162-L164 PolarHBondContact O-N 3.05Å
163A22.2Very low23.1Very low94 Ų94129.5 Ų129.578%0.77778%0.777SS**  trans-66.3121.1173.900000111S161 P165S161-A163 PolarHBondContact O-N 2.96Å; A163-P165 WeakPolarHBondContact O-CD 3.35Å
164L24Very low23.3Very low155 Ų155136 Ų13681%0.81278%0.781SS**  trans-74.8121.3-179.4-82.6159.7000111.9P162 N166P162-L164 PolarHBondContact O-N 3.05Å; L164-N166 PolarHBondContact O-N 2.96Å; L164-N166 VanDerWaalsContact O-N 3.12Å
165P25.4Very low23.4Very low104 Ų104133.6 Ų133.668%0.67578%0.776SS**  trans-72.8104172.2-16.832.7000110.9A163 R167A163-P165 WeakPolarHBondContact O-CD 3.35Å; P165-R167 VanDerWaalsContact C-N 3.32Å; P165-R167 PolarHBondContact O-N 2.95Å
166N23.4Very low23.7Very low155 Ų155131.3 Ų131.383%0.82977%0.77SS**SBendtrans-71.578.8177.6-87.7-32.5000112.4L164L164-N166 PolarHBondContact O-N 2.96Å; L164-N166 VanDerWaalsContact O-N 3.12Å
167R23.2Very low24.2Very low242 Ų242133.7 Ų133.791%0.91378%0.776SS**  trans169.7103.7149.5-94.8154.9-173.1-154.53110.3P165P165-R167 VanDerWaalsContact C-N 3.32Å; P165-R167 PolarHBondContact O-N 2.95Å
168I26.1Very low24.7Very low114 Ų114138.2 Ų138.259%0.58578%0.775SS**  trans-129.7108.1168.5-60.2157.4000108.8F173I168-F173 HydrophobicContact CD1-CE2 4.07Å; I168-F173 HydrophobicContact CD1-CZ 3.88Å; I168-F173 HydrophobicContact CG2-CE2 4.03Å
169T25.2Very low25.1Very low134 Ų134142.2 Ų142.282%0.82278%0.783SS**  trans-78.8134.3171.244.10000110.5S171T169-S171 PolarHBondContact O-N 3.1Å; T169-S171 VanDerWaalsContact O-N 3.14Å
170S22.7Very low25.6Very low126 Ų126142.8 Ų142.888%0.88178%0.78SS**SBendtrans-37.8105.1-17354.80000116.9
171S24.5Very low25.9Very low104 Ų104139.2 Ų139.273%0.72777%0.766SS**  trans-143.6166.515084.70000109.9T169 F173T169-S171 PolarHBondContact O-N 3.1Å; T169-S171 VanDerWaalsContact O-N 3.14Å; S171-F173 PolarHBondContact O-N 3.04Å
172A26.6Very low26.3Very low100 Ų100141.7 Ų141.783%0.82677%0.767SS**  trans-81.5101.6-166.100000112.9R174A172-R174 PolarHBondContact O-N 2.93Å; A172-R174 VanDerWaalsContact O-N 3.16Å
173F25.8Very low26.5Very low162 Ų162142.7 Ų142.771%0.71177%0.766SS**PPolyproline II helixtrans-49119.4166.7-90.9-82.7000111.8I168 S171I168-F173 HydrophobicContact CD1-CE2 4.07Å; I168-F173 HydrophobicContact CD1-CZ 3.88Å; I168-F173 HydrophobicContact CG2-CE2 4.03Å; S171-F173 PolarHBondContact O-N 3.04Å
174R26.9Very low27Very low232 Ų232141.9 Ų141.988%0.87575%0.751SS**PPolyproline II helixtrans-74.6135.8152.9-75.5-177.8169.7-176.5-3.7108A172A172-R174 PolarHBondContact O-N 2.93Å; A172-R174 VanDerWaalsContact O-N 3.16Å
175S25.2Very low27.4Very low105 Ų105142.1 Ų142.173%0.73475%0.746SS**PPolyproline II helixtrans-67.5136.3167.644.40000109.8T177S175-T177 PolarHBondContact O-N 3.49Å
176P28.3Very low27.4Very low116 Ų116143.5 Ų143.575%0.75375%0.752SS**PPolyproline II helixtrans-69.9128.217928.2-33.8000110.8R178P176-R178 PolarHBondContact O-N 3.44Å
177T30.6Very low27.5Very low138 Ų138140.3 Ų140.385%0.84775%0.747SS**  trans-62.8112.8166.7-360000107.6S175 F179S175-T177 PolarHBondContact O-N 3.49Å; T177-F179 PolarHBondContact O-N 3.05Å
178R31.9Very low27.8Very low213 Ų213133.3 Ų133.380%0.80473%0.731SS**  trans-72.8114.9-176.7-69.3-171.1-176.5-167.22.4110.2P176 I180P176-R178 PolarHBondContact O-N 3.44Å; R178-I180 PolarHBondContact O-N 3.46Å
179F28Very low27.7Very low202 Ų202132.3 Ų132.389%0.88674%0.735SS**  trans-60126.1151.2-79.4-100.6000108.2T177T177-F179 PolarHBondContact O-N 3.05Å
180I29.7Very low27.7Very low135 Ų135133.5 Ų133.569%0.69274%0.736SS**  trans-107.3105.1160.7-60176.8000104.7R178R178-I180 PolarHBondContact O-N 3.46Å
181P27.8Very low27.8Very low71 Ų71136.9 Ų136.946%0.46173%0.729SS.*  trans-65.2139.6173.423.2-26.6000109.4N183 V184P181-N183 PolarHBondContact O-N 3.4Å; P181-V184 HydrophobicContact CG-CG2 3.91Å; P181-V184 WeakPolarHBondContact O-CG2 3.18Å; P181-V184 PolarHBondContact O-N 3.44Å; P181-V184 VanDerWaalsContact O-N 3.09Å
182E30.4Very low27.7Very low150 Ų150138.4 Ų138.470%0.70173%0.734SS**G310 helixtrans-58.9-25.4-172.1-61.6-169.991.100113.2V184 K185E182-V184 PolarHBondContact O-N 3.2Å; E182-K185 PolarHBondContact O-N 3.2Å
183N29Very low27.7Very low144 Ų144140.2 Ų140.277%0.7772%0.724SS**G310 helixtrans-53.3-12173.5-42.672000114.5P181P181-N183 PolarHBondContact O-N 3.4Å
184V32.8Very low27.5Very low77 Ų77137.6 Ų137.647%0.46772%0.724SS.*G310 helixtrans-105.44.9-174-165.70000112.7P181 E182 T186P181-V184 HydrophobicContact CG-CG2 3.91Å; P181-V184 WeakPolarHBondContact O-CG2 3.18Å; P181-V184 PolarHBondContact O-N 3.44Å; P181-V184 VanDerWaalsContact O-N 3.09Å; E182-V184 PolarHBondContact O-N 3.2Å; V184-T186 PolarHBondContact O-N 2.92Å
185K31.5Very low27.5Very low161 Ų161135.8 Ų135.870%0.772%0.723SS**THydrogen-bonded Turntrans-60.4-11.9178.7-81.8-179.7173.6174.10115.1E182E182-K185 PolarHBondContact O-N 3.2Å
186T26.2Very low27.5Very low133 Ų133136.2 Ų136.282%0.81672%0.721SS**THydrogen-bonded Turntrans-12823.6-162.746.40000116.9V184V184-T186 PolarHBondContact O-N 2.92Å
187A25.6Very low27.3Very low87 Ų87135.5 Ų135.572%0.71972%0.719SS**  trans-14931.8-177.300000118.5
188V27.9Very low27.1Very low95 Ų95133.6 Ų133.658%0.57671%0.711SS**  trans-133.777.6174.8-164.60000113.2R191V188-R191 HydrophobicContact CG1-CB 4.49Å
189S25Very low26.9Very low94 Ų94131.7 Ų131.766%0.65771%0.708SS**  trans-77.2144.4161.6178.40000110.7R191S189-R191 PolarHBondContact O-N 3.09Å
190N24.2Very low27Very low159 Ų159128.9 Ų128.985%0.8570%0.703SS**SBendtrans49.960162.1-62.7-7.6000116.9
191R25.6Very low26.9Very low197 Ų197128.4 Ų128.474%0.74371%0.706SS**  trans-131.8118.8162.4-71.7-168.2174.3-171.4-1.2112.8V188 S189 F193V188-R191 HydrophobicContact CG1-CB 4.49Å; S189-R191 PolarHBondContact O-N 3.09Å; R191-F193 VanDerWaalsContact O-CD2 3.31Å; R191-F193 WeakPolarHBondContact O-CD2 3.49Å; R191-F193 WeakPolarHBondContact O-CE2 3.34Å
192T23.4Very low26.9Very low136 Ų136129.5 Ų129.583%0.83472%0.721SS**  trans-70.8128.1177.1-43.90000111.3
193F24.9Very low26.7Very low138 Ų138131.4 Ų131.461%0.60573%0.727SS**  trans-107.5101.5177.1-70-78.4000111.9R191 F195R191-F193 VanDerWaalsContact O-CD2 3.31Å; R191-F193 WeakPolarHBondContact O-CD2 3.49Å; R191-F193 WeakPolarHBondContact O-CE2 3.34Å; F193-F195 HydrophobicContact CB-CE2 4.02Å; F193-F195 HydrophobicContact CB-CZ 4.46Å; F193-F195 PolarHBondContact O-N 3.04Å
194C22.6Very low26.6Very low106 Ų106132.7 Ų132.772%0.71673%0.733SS**  trans-84.2106.6175.2-63.10000111.4V196C194-V196 PolarHBondContact O-N 3.35Å
195F26.9Very low26.3Very low195 Ų195134 Ų13486%0.85575%0.745SS**  trans-82.989.6175.7-69.5-83000111.9F193 S197F193-F195 HydrophobicContact CB-CE2 4.02Å; F193-F195 HydrophobicContact CB-CZ 4.46Å; F193-F195 PolarHBondContact O-N 3.04Å; F195-S197 PolarHBondContact O-N 3.06Å
196V24.4Very low25.9Very low113 Ų113131.4 Ų131.469%0.68575%0.748SS**  trans-80.6112.4175.9-177.40000110.7C194 S198C194-V196 PolarHBondContact O-N 3.35Å; V196-S198 PolarHBondContact O-N 3.01Å; V196-S198 VanDerWaalsContact O-N 3.09Å
197S24.9Very low25.8Very low101 Ų101131.1 Ų131.171%0.70675%0.745SS**  trans-70.3102170.1-175.30000110.3F195 K199F195-S197 PolarHBondContact O-N 3.06Å; S197-K199 PolarHBondContact O-N 3.13Å
198S25.8Very low25.7Very low98 Ų98131.7 Ų131.769%0.68574%0.743SS**THydrogen-bonded Turntrans-72.824.5-16657.30000116.1V196V196-S198 PolarHBondContact O-N 3.01Å; V196-S198 VanDerWaalsContact O-N 3.09Å
199K28.1Very low25.5Very low173 Ų173134 Ų13475%0.75275%0.751SS**THydrogen-bonded Turntrans-133.1-0.3-171.4-69.8-177.9-179.9165.40116.8S197S197-K199 PolarHBondContact O-N 3.13Å
200N29.8Very low25.4Very low144 Ų144137.9 Ų137.977%0.7776%0.758SS**  trans-141.435.8175.7-91-34.2000113.8A202N200-A202 PolarHBondContact O-N 3.13Å
201V28.3Very low25.4Very low125 Ų125134.9 Ų134.976%0.75875%0.749SS**THydrogen-bonded Turntrans-64.92.1-173.3-169.90000114.4
202A26.6Very low25.2Very low94 Ų94130.3 Ų130.378%0.77775%0.748SS**THydrogen-bonded Turntrans-88.8-35.1-175.500000115.1N200N200-A202 PolarHBondContact O-N 3.13Å
203K27.8Very low25.3Very low189 Ų189130.9 Ų130.982%0.82275%0.745SS**SBendtrans-15798.5-174.1-66.5-172-179.1-179.60112.6
204L26.5Very low25.2Very low172 Ų172131.8 Ų131.890%0.90175%0.753SS**  trans176.5154.3144.2-99.2160.9000109.2
205S25.8Very low25.3Very low103 Ų103131.5 Ų131.572%0.7275%0.752SS**  trans-69.8135.1179.546.10000112.1V207S205-V207 PolarHBondContact O-N 3.41Å
206S24.4Very low25.3Very low108 Ų108130.9 Ų130.976%0.75575%0.752SS**  trans-67.6115.6175.349.90000111.6C208S206-C208 PolarHBondContact O-N 3.3Å
207V23.9Very low25.4Very low126 Ų126132.7 Ų132.776%0.76475%0.751SS**  trans-84.2104.1170.4-179.10000108.8S205 I209S205-V207 PolarHBondContact O-N 3.41Å; V207-I209 HydrophobicContact CG1-CG1 4.3Å
208C22.5Very low25.4Very low100 Ų100135.8 Ų135.868%0.67676%0.758SS**  trans-87.9110171.6-68.90000109.6S206 H210S206-C208 PolarHBondContact O-N 3.3Å; C208-H210 PolarHBondContact O-N 3.09Å
209I23.7Very low25.5Very low144 Ų144137.1 Ų137.174%0.73875%0.753SS**  trans-84.8108.7170.5-58.7177.9000108V207 S211V207-I209 HydrophobicContact CG1-CG1 4.3Å; I209-S211 PolarHBondContact O-N 3.12Å
210H23.1Very low25.3Very low175 Ų175134 Ų13481%0.8175%0.753SS**  trans-81.590.9172-101.5-86.8000110.4C208 S212C208-H210 PolarHBondContact O-N 3.09Å; H210-S212 PolarHBondContact O-N 3.39Å
211S24.7Very low25.1Very low95 Ų95134.1 Ų134.166%0.66475%0.752SS**  trans-82.390.2164.855.70000109.9I209 L213I209-S211 PolarHBondContact O-N 3.12Å; S211-L213 PolarHBondContact O-N 3.5Å
212S21.7Very low24.9Very low102 Ų102134.5 Ų134.571%0.71375%0.754SS**  trans-73.1103.5166.5-175.50000108.7H210H210-S212 PolarHBondContact O-N 3.39Å
213L25Very low24.9Very low147 Ų147135.5 Ų135.577%0.7776%0.756SS**  trans-9891173.2-157.4157.8000108S211 S215S211-L213 PolarHBondContact O-N 3.5Å; L213-S215 PolarHBondContact O-N 3.25Å
214M23.3Very low24.7Very low157 Ų157130.9 Ų130.977%0.77375%0.753SS**  trans-61.2103.2173.3-72.4-100.772.800108.8Q216M214-Q216 VanDerWaalsContact C-N 3.27Å; M214-Q216 PolarHBondContact O-N 2.94Å
215S25Very low24.8Very low101 Ų101127.5 Ų127.571%0.70674%0.741SS**  trans-69.188.9166.9-65.70000109L213 K217L213-S215 PolarHBondContact O-N 3.25Å; S215-K217 PolarHBondContact O-N 3.26Å
216Q25.6Very low24.8Very low182 Ų182129.5 Ų129.585%0.8574%0.744SS**  trans-6389.2155.6-92.5-167.9-11.900107.5M214 I218M214-Q216 VanDerWaalsContact C-N 3.27Å; M214-Q216 PolarHBondContact O-N 2.94Å; Q216-I218 PolarHBondContact O-N 3.31Å
217K26.7Very low25Very low151 Ų151131.1 Ų131.166%0.65775%0.749SS**  trans-71.798.8178.6-169-169.1178.6-164.90106.7S215 Q219S215-K217 PolarHBondContact O-N 3.26Å; K217-Q219 HydrophobicContact CD-CG 3.99Å; K217-Q219 VanDerWaalsContact CD-OE1 3.32Å; K217-Q219 HydrophobicContact CG-CG 4.08Å; K217-Q219 PolarHBondContact O-N 3.01Å
218I26.1Very low25.2Very low166 Ų166129.5 Ų129.585%0.85174%0.743SS**  trans-68.177.2173.5-54.9-180000108.2Q216 S220Q216-I218 PolarHBondContact O-N 3.31Å; I218-S220 VanDerWaalsContact C-N 3.32Å; I218-S220 PolarHBondContact O-N 2.88Å; I218-S220 VanDerWaalsContact O-N 3.13Å
219Q27.4Very low25.5Very low126 Ų126135.2 Ų135.259%0.58975%0.752SS**  trans-77.988.9165.8-84.4-173.2-102.300108.2K217 I221K217-Q219 HydrophobicContact CD-CG 3.99Å; K217-Q219 VanDerWaalsContact CD-OE1 3.32Å; K217-Q219 HydrophobicContact CG-CG 4.08Å; K217-Q219 PolarHBondContact O-N 3.01Å; Q219-I221 VanDerWaalsContact C-N 3.33Å; Q219-I221 PolarHBondContact O-N 2.75Å; Q219-I221 VanDerWaalsContact O-N 3.1Å
220S22.9Very low25.7Very low108 Ų108133.3 Ų133.376%0.75575%0.75SS**  trans-59.6106.1141.2-179.70000107.5I218I218-S220 VanDerWaalsContact C-N 3.32Å; I218-S220 PolarHBondContact O-N 2.88Å; I218-S220 VanDerWaalsContact O-N 3.13Å
221I26.9Very low26.1Very low146 Ų146127.9 Ų127.975%0.74974%0.742SS**  trans-167.3130.6147.3-98.1150.3000108.2Q219Q219-I221 VanDerWaalsContact C-N 3.33Å; Q219-I221 PolarHBondContact O-N 2.75Å; Q219-I221 VanDerWaalsContact O-N 3.1Å
222V24.5Very low26.4Very low132 Ų132128.7 Ų128.780%0.875%0.747SS**  trans-63128.6177.3177.50000111.1
223S26.1Very low26.8Very low115 Ų115131 Ų13180%0.80475%0.75SS**  trans160.8137.5136.9-71.90000112.4
224A23.5Very low27.2Very low92 Ų92129.5 Ų129.576%0.7675%0.749SS**  trans-96.6-174.5165.800000109.1
225P28.7Very low27.6Very low101 Ų101133.2 Ų133.266%0.65676%0.756SS**  cis-139.3-175.73.245.3-27.5000116.2
226D25Very low27.9Very low146 Ų146136.9 Ų136.978%0.78176%0.762SS**  trans50.8132.8150.4-54.4-27.2000123
227V30Very low28.4Very low141 Ų141133.3 Ų133.386%0.85575%0.754SS**  -176.9133.9102.4154.70000111.6
228S27.7Very low28.8Very low92 Ų92131.1 Ų131.164%0.64376%0.758SS**  trans-50.9163.2-173.257.30000123.6
229Y28.1Very low29.1Very low221 Ų221131.3 Ų131.387%0.86776%0.76SS**  trans77.1154.6139.7-95.4-131.4000120.3
230C27.9Very low29.3Very low104 Ų104131.1 Ų131.170%0.70377%0.769SS**  cis-172.2166.1-26.5-168.90000110.8
231G30.9Very low29.8Very low61 Ų61131.7 Ų131.763%0.62977%0.771SS**  trans116.8116.6173.200000113.4
232S30.6Very low30.2Very low112 Ų112135.7 Ų135.778%0.78378%0.776SS**  cis73.6130.838.2-40.90000112.1
233I31.7Very low30.6Very low151 Ų151136.8 Ų136.877%0.77478%0.776SS**  cis-147.9151.318.2-62.6175.3000109.8
234P33.5Very low30.8Very low114 Ų114135.9 Ų135.974%0.7477%0.77SS**  trans-94.7168176.838-36.8000115.8
235Y30.7Very low31.1Very low235 Ų235142.5 Ų142.592%0.92278%0.775SS**  trans-141151.8166.9-103.3-92.4000111.7
236H31Very low31.2Very low178 Ų178144.8 Ų144.882%0.82478%0.782SS**  trans-137.6-169.1-169.5-142-28.8000111.9
237P36.3Very low31.3Very low107 Ų107143.9 Ų143.970%0.69578%0.782SS**  -109170.3-118.841.3-29.1000117.3
238S35.1Very low31.2Very low106 Ų106142.8 Ų142.874%0.74178%0.78SS**  trans-161118.2153.159.20000116.5
239L32.2Very low31.2Very low169 Ų169147 Ų14789%0.88579%0.789SS**  trans57.9133150.3-74.183.4000123.6
240P32.9Very low31Very low122 Ų122142.2 Ų142.279%0.79278%0.783SS**  trans-125.1167.2167.442.1-31.3000116.3
241P33.5Very low30.9Very low121 Ų121141.4 Ų141.479%0.78678%0.777SS**  trans-114.8126.4162.936.1-24.6000112.7
242R33.7Very low30.7Very low229 Ų229145.5 Ų145.586%0.86479%0.789SS**  87.89472.5-79.4-170.6176.9-176.90.9117.6
243I32.9Very low30.5Very low155 Ų155144 Ų14480%0.79578%0.778SS**  56.4121.4126.4-54.4155.7000120.2
244S31Very low30.4Very low96 Ų96141.6 Ų141.667%0.67177%0.771SS**  174.1129.1108.865.20000116.6
245R30.2Very low30Very low231 Ų231144.1 Ų144.187%0.87278%0.777SS**  trans58.4151.3140.8-68.9178.2-170.3147.23.3120
246D29.9Very low29.9Very low149 Ų149136.7 Ų136.780%0.79777%0.765SS**  cis-128.2160.35.3-96.5-41.4000112.6
247V27.4Very low29.6Very low128 Ų128132.4 Ų132.478%0.77675%0.754SS**  trans-116.1128.8177.4175.20000110.2Q249V247-Q249 HydrophobicContact CG1-CG 4.25Å
248S27.9Very low29.1Very low117 Ų117136.9 Ų136.982%0.81876%0.763SS**  trans-112.5128.9156.965.30000109.4
249Q27.1Very low28.7Very low181 Ų181137.3 Ų137.385%0.84676%0.761SS**  trans-83.4128.9-170-64.4171.2-10.500111V247V247-Q249 HydrophobicContact CG1-CG 4.25Å
250V25.1Very low28.3Very low120 Ų120133.9 Ų133.973%0.72774%0.744SS**  trans-119.4116.6156.1-178.20000106.7
251P25Very low28Very low88 Ų88137 Ų13757%0.57175%0.748SS**  trans-65.8147.2-179.326.5-33.8000111S253P251-S253 PolarHBondContact O-N 3.37Å
252V26.4Very low27.6Very low146 Ų146137 Ų13789%0.88575%0.745SS**SBendtrans-76.865.2174.8-171.90000109.6
253S27.2Very low27.2Very low80 Ų80132 Ų13256%0.55974%0.736SS**  trans-127.815.6-179.962.30000112.5P251P251-S253 PolarHBondContact O-N 3.37Å
254T28.9Very low26.8Very low101 Ų101132.9 Ų132.962%0.6274%0.736SS**SBendtrans-121.61-172.2-40.80000113.1
255L26.2Very low26.6Very low168 Ų168135.6 Ų135.688%0.8874%0.742SS**SBendtrans-103.9-2.3170-85.2164.4000113.4
256A27.4Very low26.3Very low79 Ų79133.7 Ų133.765%0.65374%0.744SS**SBendtrans-96.414.7-177.900000114.2
257S24.9Very low26.1Very low87 Ų87134.7 Ų134.761%0.60874%0.743SS**SBendtrans-113.211.1-170.272.10000115.8
258F25.6Very low26Very low202 Ų202133.3 Ų133.389%0.88674%0.739SS**SBendtrans-105.8-0.3171.8-95.6-75.5000114.5
259V28Very low25.8Very low115 Ų115132.9 Ų132.970%0.69774%0.735SS**SBendtrans-133.599.6166.3-177.90000105.6
260N23Very low25.8Very low96 Ų96131.2 Ų131.251%0.51373%0.731SS.*  trans169.919.8149.8-81.6-8.7000118.5R732N260-R732 PolarHBondContact O-NH2 3.44Å; N260-R732 PolarHBondContact OD1-NH1 2.94Å; N260-R732 PolarHBondContact OD1-NH2 2.87Å
261E26.3Very low25.9Very low189 Ų189131.7 Ų131.788%0.88373%0.73SS**  trans-127142.7166.2-77.8-170.8144.600109.9
262T26.3Very low26.1Very low119 Ų119134.3 Ų134.373%0.7374%0.738SS**  cis-139.3131.6-23.439.30000106.7
263N24.4Very low26.2Very low124 Ų124130.1 Ų130.166%0.66372%0.718SS**  4012094.8-82.99000116.6
264H24.5Very low26.3Very low175 Ų175134.8 Ų134.881%0.8174%0.737SS**  trans55.8120.3165.8-52.4-72.7000119.7
265L26.4Very low26.4Very low152 Ų152137.1 Ų137.180%0.79675%0.745SS**  trans-165.496.6135-110.7168.4000109.4E267L265-E267 HydrophobicContact CD2-CB 4.17Å
266E24.4Very low26.7Very low192 Ų192135.6 Ų135.690%0.89773%0.731SS**  trans-91.7115.5151.8-67-179.6149.300106.2
267E26.1Very low26.9Very low170 Ų170137.2 Ų137.279%0.79473%0.729SS**  trans-174.1126.9163.8-103.8159.7-165.900106.2L265L265-E267 HydrophobicContact CD2-CB 4.17Å
268S24.7Very low27.2Very low98 Ų98137.1 Ų137.169%0.68573%0.733SS**  80.1102.965-171.40000113.5
269C24.6Very low27.5Very low108 Ų108130.4 Ų130.473%0.7371%0.71SS**  trans65.2133.2149.4-59.10000121.5
270L25.8Very low27.5Very low147 Ų147132.8 Ų132.877%0.7772%0.719SS**  trans57.4100.4143.6-64.6165.8000119.4I272L270-I272 VanDerWaalsContact C-N 3.31Å; L270-I272 HydrophobicContact CB-CG1 4.45Å; L270-I272 PolarHBondContact O-N 3.24Å
271D27.8Very low28Very low129 Ų129136.6 Ų136.669%0.6973%0.731SS**  trans-67.983.2157.9-75.7-52.4000111.3R309D271-R309 IonicContact OD2-CZ 2.71Å; D271-R309 IonicContact OD2-NH1 2.71Å; D271-R309 PolarHBondContact OD2-NH1 2.84Å; D271-R309 IonicContact OD2-NH2 2.68Å; D271-R309 PolarHBondContact OD2-NH2 3.15Å
272I28.7Very low28.1Very low144 Ų144134.7 Ų134.774%0.73873%0.726SS**  trans-73.5135.9163.1-63.9180000108.5L270 N274L270-I272 VanDerWaalsContact C-N 3.31Å; L270-I272 HydrophobicContact CB-CG1 4.45Å; L270-I272 PolarHBondContact O-N 3.24Å; I272-N274 PolarHBondContact O-N 3.17Å
273A28.7Very low28.1Very low58 Ų58134.9 Ų134.948%0.47973%0.727SS.*  trans-70.5126-17300000112.6L275A273-L275 PolarHBondContact O-N 3.22Å
274N30.4Very low28.4Very low177 Ų177138.1 Ų138.195%0.94774%0.738SS**  trans-64.9101.9169.6-86.8-41.4000110.5I272I272-N274 PolarHBondContact O-N 3.17Å
275L30.5Very low28.6Very low150 Ų150138.7 Ų138.779%0.78574%0.741SS**  trans-139.470.4-174.2-147.8176.2000111.4A273A273-L275 PolarHBondContact O-N 3.22Å
276K31.6Very low28.7Very low136 Ų136140.6 Ų140.659%0.59175%0.745SS**  trans-16698.5161.7-114.6157.1170.8-156.30113.1E532K276-E532 HydrophobicContact CB-CG 4.18Å; K276-E532 HydrophobicContact CD-CG 3.93Å; K276-E532 WeakPolarHBondContact CD-OE1 3.12Å; K276-E532 WeakPolarHBondContact CD-OE2 3.44Å; K276-E532 WeakPolarHBondContact CE-OE1 3.2Å; K276-E532 WeakPolarHBondContact CE-OE2 3.31Å; K276-E532 HydrophobicContact CG-CG 4.09Å; K276-E532 IonicContact NZ-OE1 2.68Å; K276-E532 PolarHBondContact NZ-OE1 3.02Å; K276-E532 IonicContact NZ-OE2 2.98Å; K276-E532 PolarHBondContact NZ-OE2 3.06Å
277N31.5Very low28.8Very low114 Ų114140.6 Ų140.661%0.6175%0.746SS**  trans-16661.3149-107.1-14.4000111.7T533 S534N277-T533 VanDerWaalsContact OD1-C 3.23Å; N277-T533 PolarHBondContact OD1-O 3.49Å; N277-S534 VanDerWaalsContact C-CB 3.41Å; N277-S534 WeakPolarHBondContact OD1-CB 3.46Å
278A32.3Very low29.2Very low85 Ų85137.7 Ų137.770%0.70274%0.744SS**SBendtrans-141.6136.2159.600000108.9S534A278-S534 VanDerWaalsContact C-OG 3.25Å; A278-S534 VanDerWaalsContact CA-OG 3.29Å; A278-S534 WeakPolarHBondContact CA-OG 3.44Å; A278-S534 PolarHBondContact N-OG 3.39Å
279P30.9Very low29.5Very low60 Ų60138.1 Ų138.139%0.3975%0.747SS.*  trans-89.9151.5-174.532.2-30.3000113.1K281 S534 V536P279-K281 PolarHBondContact O-N 3.09Å; P279-S534 WeakPolarHBondContact CD-OG 3.36Å; P279-V536 HydrophobicContact CG-CB 4.48Å; P279-V536 HydrophobicContact CG-CG2 3.74Å; P279-V536 VanDerWaalsContact CG-N 3.26Å
280N29.5Very low30Very low166 Ų166138.1 Ų138.189%0.88875%0.746SS**  trans-61129.8-172.7-80.6-35.1000114.7
281K32.7Very low30.7Very low176 Ų176134.7 Ų134.777%0.76573%0.732SS**  trans-14888.1146.4-122-176-177.6-170.70113.1P279P279-K281 PolarHBondContact O-N 3.09Å
282L28.6Very low32Very low149 Ų149136.3 Ų136.378%0.7873%0.733SS**  trans37113.1147.1-81.5157000120.1
283T26.6Very low33.4Very low123 Ų123132.1 Ų132.176%0.75571%0.712SS**  trans54.9100.1142.648.80000119.2
284Q30.3Very low35.7Very low192 Ų192133.5 Ų133.590%0.89771%0.711SS**  -139.8165.3129.3-111.7167.53200110.3
285Q29Very low38.2Very low186 Ų186127 Ų12787%0.86967%0.674SS**  trans-60.3159.9-152.7-69.9158.2-56.900117.3E287Q285-E287 PolarHBondContact O-N 2.86Å
286H27Very low40.8Very low192 Ų192124.5 Ų124.589%0.88966%0.659SS**  trans-40.9119.8167.1-94-125.7000113.8
287E28Very low43.5Very low193 Ų193118.4 Ų118.490%0.90263%0.633SS**  trans-125.3124.1136.1-79.8-164.7128.700108Q285 S289Q285-E287 PolarHBondContact O-N 2.86Å; E287-S289 PolarHBondContact O-N 3.01Å
288S33Very low45.9Very low109 Ų109118.7 Ų118.776%0.76263%0.634SS**PPolyproline II helixtrans-72.1116.8175.4510000109.4
289S32.2Very low48.2Very low106 Ų106120 Ų12074%0.74162%0.622SS**PPolyproline II helixtrans-52.7129.2171.457.90000109.7E287E287-S289 PolarHBondContact O-N 3.01Å
290P34.8Very low50.9Low109 Ų109119.6 Ų119.671%0.70862%0.62SS**PPolyproline II helixtrans-59.6148.8-17423.7-34.1000111.3K292P290-K292 PolarHBondContact O-N 3.07Å
291P41.1Very low53.5Low75 Ų75119 Ų11949%0.48762%0.622SS.*PPolyproline II helixtrans-56.1132.117824.2-33.6000109.6N293 P336P291-N293 PolarHBondContact O-N 2.93Å; P291-P336 HydrophobicContact CB-CG 3.88Å; P291-P336 HydrophobicContact CG-CG 4.03Å
292K54.3Low56Low163 Ų163114 Ų11471%0.70960%0.6SS**  trans-64.3111.5179.4-66.7177.3-178.5174.80108.5P290 L294P290-K292 PolarHBondContact O-N 3.07Å; K292-L294 PolarHBondContact O-N 2.94Å; K292-L294 VanDerWaalsContact O-N 3.09Å
293N57.8Low58.8Low56 Ų56109.7 Ų109.730%0.29958%0.58SS.*  trans-49.2116.8177.2-76.9-16.7000110.6P291 F295 Q333P291-N293 PolarHBondContact O-N 2.93Å; N293-F295 HydrophobicContact CB-CE2 4.27Å; N293-F295 HydrophobicContact CB-CZ 4.46Å; N293-Q333 PolarHBondContact ND2-NE2 3.2Å; N293-Q333 PolarHBondContact OD1-NE2 3.03Å; N293-Q333 VanDerWaalsContact OD1-NE2 3.12Å
294L78.1Confident61.7Low87 Ų87104 Ų10446%0.45555%0.547SS..  trans-102104.6176.4-83.7160000108.5K292 H296K292-L294 PolarHBondContact O-N 2.94Å; K292-L294 VanDerWaalsContact O-N 3.09Å; L294-H296 PolarHBondContact O-CE1 2.81Å; L294-H296 PolarHBondContact O-ND1 3.41Å
295F81.8Confident64.1Low40 Ų4098.3 Ų98.318%0.17553%0.527CS..EExtended strand (participates in β ladder)trans-74.3126.9172.1-56-91.2000108.2N293 T303 A304 L310 C331N293-F295 HydrophobicContact CB-CE2 4.27Å; N293-F295 HydrophobicContact CB-CZ 4.46Å; F295-T303 CarbonylContact O-C 3.53Å; F295-T303 VanDerWaalsContact O-CA 3.31Å; F295-T303 WeakPolarHBondContact O-CA 3.43Å; F295-A304 WeakPolarHBondContact CD2-O 3.48Å; F295-A304 PolarHBondContact N-O 2.95Å; F295-A304 PolarHBondContact O-N 2.84Å; F295-L310 HydrophobicContact CB-CB 4.27Å; F295-L310 HydrophobicContact CB-CD2 3.71Å; F295-C331 HydrophobicContact CD1-CB 4.41Å; F295-C331 HydrophobicContact CE1-CB 4.28Å
296H85.7Confident66.5Low98 Ų9892.6 Ų92.645%0.45450%0.503SS..EExtended strand (participates in β ladder)trans-98.6156.8-178.3-69.958.6000110.4L294 T303 L310L294-H296 PolarHBondContact O-CE1 2.81Å; L294-H296 PolarHBondContact O-ND1 3.41Å; H296-T303 HydrophobicContact CB-CG2 4.38Å; H296-T303 WeakPolarHBondContact CD2-CG2 3.35Å; H296-L310 WeakPolarHBondContact O-CD2 3.44Å
297C88.9Confident69.1Low8 Ų885.2 Ų85.25%0.05447%0.473CS..EExtended strand (participates in β ladder)trans-99.2117.9175-176.20000110.5Y299 C300 F302 L310 H318C297-Y299 PolarHBondContact O-N 2.93Å; C297-Y299 VanDerWaalsContact O-N 3.1Å; C297-C300 PolarHBondContact O-N 3.03Å; C297-F302 HydrophobicContact CB-CB 4.09Å; C297-F302 HydrophobicContact CB-CD1 4.41Å; C297-F302 WeakPolarHBondContact CB-O 3.13Å; C297-F302 PolarHBondContact N-O 2.69Å; C297-L310 HydrophobicContact CB-CD1 3.66Å; C297-H318 PolarHBondContact SG-CD2 3.27Å; C297-H318 PolarHBondContact SG-NE2 3.14Å
298D81.5Confident71.6Confident119 Ų11980.8 Ų80.864%0.63646%0.455SS*.THydrogen-bonded Turntrans-61.8-26.6-175.5-50.4-58.3000112.9
299Y81.3Confident73.9Confident114 Ų11481 Ų8145%0.44744%0.439SS..THydrogen-bonded Turntrans-87.6-13.9-179-51.1-76.7000115.5C297 I314 H318C297-Y299 PolarHBondContact O-N 2.93Å; C297-Y299 VanDerWaalsContact O-N 3.1Å; Y299-I314 HydrophobicContact CE2-CG2 4.25Å; Y299-H318 HydrophobicContact CD2-CB 3.83Å; Y299-H318 AromaticContact CD2-CD2 3.77Å; Y299-H318 AromaticContact CD2-CG 3.81Å; Y299-H318 HydrophobicContact CE2-CB 4.38Å; Y299-H318 HydrophobicContact CG-CB 4.01Å; Y299-H318 AromaticContact CG-CG 3.84Å
300C86.1Confident76.5Confident50 Ų5076.3 Ų76.334%0.33841%0.406SS..EExtended strand (participates in β ladder)trans-166.5172.4179.273.60000113.9C297 F302 H313 H318C297-C300 PolarHBondContact O-N 3.03Å; C300-F302 PolarHBondContact O-N 2.79Å; C300-H313 PolarHBondContact SG-NE2 3.03Å; C300-H318 PolarHBondContact SG-NE2 2.67Å; C300-H318 VanDerWaalsContact SG-NE2 3.36Å
301T84.8Confident78.8Confident153 Ų15372.8 Ų72.894%0.93938%0.384SS*.EExtended strand (participates in β ladder)trans-65.416.3-178.2560000116.8
302F84.8Confident80.8Confident71 Ų7176.7 Ų76.731%0.31139%0.389SS..EExtended strand (participates in β ladder)trans-83.5139179.6-179.2-97.1000111.7C297 C300 A304 L310 H313C297-F302 HydrophobicContact CB-CB 4.09Å; C297-F302 HydrophobicContact CB-CD1 4.41Å; C297-F302 WeakPolarHBondContact CB-O 3.13Å; C297-F302 PolarHBondContact N-O 2.69Å; C300-F302 PolarHBondContact O-N 2.79Å; F302-A304 HydrophobicContact CE1-CB 3.92Å; F302-A304 HydrophobicContact CZ-CB 4.38Å; F302-L310 HydrophobicContact CD1-CD1 4.34Å; F302-H313 WeakPolarHBondContact CB-CE1 3.37Å; F302-H313 HydrophobicContact CD1-CB 3.63Å; F302-H313 AromaticContact CD1-CD2 3.63Å; F302-H313 AromaticContact CD1-CE1 3.89Å; F302-H313 AromaticContact CD1-CG 3.27Å; F302-H313 AromaticContact CD1-ND1 3.45Å; F302-H313 WeakPolarHBondContact CD1-ND1 3.37Å; F302-H313 AromaticContact CD2-CE1 3.79Å; F302-H313 AromaticContact CD2-ND1 3.48Å; F302-H313 WeakPolarHBondContact CD2-ND1 3.41Å; F302-H313 HydrophobicContact CE1-CB 3.36Å; F302-H313 AromaticContact CE1-CG 3.53Å; F302-H313 AromaticContact CE1-ND1 3.79Å; F302-H313 AromaticContact CE2-ND1 3.82Å; F302-H313 HydrophobicContact CG-CB 4.38Å; F302-H313 AromaticContact CG-CD2 3.92Å; F302-H313 AromaticContact CG-CE1 3.41Å; F302-H313 VanDerWaalsContact CG-CE1 3.41Å; F302-H313 WeakPolarHBondContact CG-CE1 3.18Å; F302-H313 AromaticContact CG-CG 3.62Å; F302-H313 AromaticContact CG-ND1 3.28Å; F302-H313 VanDerWaalsContact CG-ND1 3.28Å; F302-H313 WeakPolarHBondContact CG-ND1 3.4Å; F302-H313 AromaticContact CG-NE2 3.81Å; F302-H313 HydrophobicContact CZ-CB 3.93Å; F302-H313 AromaticContact CZ-ND1 3.96Å
303T86.5Confident82.4Confident59 Ų5970.1 Ų70.136%0.36236%0.361SS..EExtended strand (participates in β ladder)trans-133.3151.8174.6640000111.1F295 H296F295-T303 CarbonylContact O-C 3.53Å; F295-T303 VanDerWaalsContact O-CA 3.31Å; F295-T303 WeakPolarHBondContact O-CA 3.43Å; H296-T303 HydrophobicContact CB-CG2 4.38Å; H296-T303 WeakPolarHBondContact CD2-CG2 3.35Å
304A88.2Confident83.6Confident5 Ų568.1 Ų68.14%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-140.3142-177.100000112.1F295 F302 N306 R309 L310F295-A304 WeakPolarHBondContact CD2-O 3.48Å; F295-A304 PolarHBondContact N-O 2.95Å; F295-A304 PolarHBondContact O-N 2.84Å; F302-A304 HydrophobicContact CE1-CB 3.92Å; F302-A304 HydrophobicContact CZ-CB 4.38Å; A304-N306 PolarHBondContact O-N 2.84Å; A304-R309 HydrophobicContact CB-CB 3.71Å; A304-L310 HydrophobicContact CB-CB 4.16Å
305S80.1Confident83.8Confident71 Ų7168.6 Ų68.650%0.49735%0.353SS..SBendtrans-80.69.4175.5670000114.4
306N81.1Confident83.7Confident67 Ų6770.7 Ų70.736%0.35837%0.372SS..SBendtrans-160.2137.1178.9179.32.9000109.1A304 D308 R309 L310A304-N306 PolarHBondContact O-N 2.84Å; N306-D308 PolarHBondContact ND2-OD2 3.13Å; N306-D308 PolarHBondContact O-N 3.27Å; N306-D308 PolarHBondContact OD1-N 2.89Å; N306-D308 PolarHBondContact OD1-OD2 3.19Å; N306-R309 PolarHBondContact O-N 2.88Å; N306-L310 PolarHBondContact O-N 2.75Å
307C81.4Confident83.4Confident37 Ų3774.5 Ų74.525%0.2538%0.383CS..Hα-helixtrans-52-37.8171.9-177.80000112.6R309 L310 S311C307-R309 PolarHBondContact O-N 3.21Å; C307-L310 PolarHBondContact O-N 3.42Å; C307-S311 WeakPolarHBondContact O-CB 3.39Å; C307-S311 PolarHBondContact O-N 3.43Å
308D80.1Confident83Confident100 Ų10075.3 Ų75.354%0.53539%0.386SS..Hα-helixtrans-58.2-26.3176.5-61.3-44.7000113.5N306 R312N306-D308 PolarHBondContact ND2-OD2 3.13Å; N306-D308 PolarHBondContact O-N 3.27Å; N306-D308 PolarHBondContact OD1-N 2.89Å; N306-D308 PolarHBondContact OD1-OD2 3.19Å; D308-R312 PolarHBondContact O-NE 3.17Å; D308-R312 PolarHBondContact O-NH2 2.84Å
309R81.8Confident82.2Confident114 Ų11473.5 Ų73.543%0.4338%0.376SS..Hα-helixtrans-87.2-36.3175.3-93.3-176.8167.7175.6-5111.5D271 A304 N306 C307 H313D271-R309 IonicContact OD2-CZ 2.71Å; D271-R309 IonicContact OD2-NH1 2.71Å; D271-R309 PolarHBondContact OD2-NH1 2.84Å; D271-R309 IonicContact OD2-NH2 2.68Å; D271-R309 PolarHBondContact OD2-NH2 3.15Å; A304-R309 HydrophobicContact CB-CB 3.71Å; N306-R309 PolarHBondContact O-N 2.88Å; C307-R309 PolarHBondContact O-N 3.21Å; R309-H313 WeakPolarHBondContact O-CB 3.43Å; R309-H313 PolarHBondContact O-N 3.21Å
310L87Confident80.7Confident7 Ų773.1 Ų73.14%0.03739%0.39CS..Hα-helixtrans-65.5-51174178.360.6000111.7F295 H296 C297 F302 A304 N306 C307 R312 H313 I314F295-L310 HydrophobicContact CB-CB 4.27Å; F295-L310 HydrophobicContact CB-CD2 3.71Å; H296-L310 WeakPolarHBondContact O-CD2 3.44Å; C297-L310 HydrophobicContact CB-CD1 3.66Å; F302-L310 HydrophobicContact CD1-CD1 4.34Å; A304-L310 HydrophobicContact CB-CB 4.16Å; N306-L310 PolarHBondContact O-N 2.75Å; C307-L310 PolarHBondContact O-N 3.42Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-R312 PolarHBondContact O-N 2.97Å; L310-H313 WeakPolarHBondContact O-CA 3.26Å; L310-H313 WeakPolarHBondContact O-CB 3.39Å; L310-H313 PolarHBondContact O-N 3.41Å; L310-I314 HydrophobicContact CD1-CD1 3.9Å; L310-I314 HydrophobicContact CD1-CG1 4.09Å; L310-I314 HydrophobicContact CD2-CD1 4.39Å; L310-I314 HydrophobicContact CG-CD1 3.81Å; L310-I314 HydrophobicContact CG-CG1 4.4Å; L310-I314 WeakPolarHBondContact O-CG1 3.49Å; L310-I314 PolarHBondContact O-N 2.89Å
311S81.5Confident78.8Confident35 Ų3575.4 Ų75.425%0.24541%0.406CS..Hα-helixtrans-57.3-46.4177.4173.20000111.2C307 H313 I314 N315C307-S311 WeakPolarHBondContact O-CB 3.39Å; C307-S311 PolarHBondContact O-N 3.43Å; S311-H313 VanDerWaalsContact C-N 3.27Å; S311-H313 PolarHBondContact O-N 3.16Å; S311-I314 PolarHBondContact O-N 3.19Å; S311-N315 VanDerWaalsContact O-CB 3.24Å; S311-N315 WeakPolarHBondContact O-CB 3.49Å; S311-N315 PolarHBondContact O-N 2.89Å; S311-N315 PolarHBondContact O-OD1 2.87Å
312R84.1Confident76.9Confident156 Ų15671 Ų7159%0.58938%0.377SS*.Hα-helixtrans-61.9-32.2174.1-83.5-178.6-69.6167.6-5.9113.7D308 L310 S316D308-R312 PolarHBondContact O-NE 3.17Å; D308-R312 PolarHBondContact O-NH2 2.84Å; L310-R312 VanDerWaalsContact C-N 3.35Å; L310-R312 PolarHBondContact O-N 2.97Å; R312-S316 WeakPolarHBondContact O-CB 3.37Å; R312-S316 PolarHBondContact O-N 2.85Å; R312-S316 PolarHBondContact O-OG 3.43Å
313H87.4Confident74.7Confident26 Ų2676 Ų7612%0.1240%0.401CS..Hα-helixtrans-67.2-52173174.493.7000111.1C300 F302 R309 L310 S311 N315 S316 R317 H318C300-H313 PolarHBondContact SG-NE2 3.03Å; F302-H313 WeakPolarHBondContact CB-CE1 3.37Å; F302-H313 HydrophobicContact CD1-CB 3.63Å; F302-H313 AromaticContact CD1-CD2 3.63Å; F302-H313 AromaticContact CD1-CE1 3.89Å; F302-H313 AromaticContact CD1-CG 3.27Å; F302-H313 AromaticContact CD1-ND1 3.45Å; F302-H313 WeakPolarHBondContact CD1-ND1 3.37Å; F302-H313 AromaticContact CD2-CE1 3.79Å; F302-H313 AromaticContact CD2-ND1 3.48Å; F302-H313 WeakPolarHBondContact CD2-ND1 3.41Å; F302-H313 HydrophobicContact CE1-CB 3.36Å; F302-H313 AromaticContact CE1-CG 3.53Å; F302-H313 AromaticContact CE1-ND1 3.79Å; F302-H313 AromaticContact CE2-ND1 3.82Å; F302-H313 HydrophobicContact CG-CB 4.38Å; F302-H313 AromaticContact CG-CD2 3.92Å; F302-H313 AromaticContact CG-CE1 3.41Å; F302-H313 VanDerWaalsContact CG-CE1 3.41Å; F302-H313 WeakPolarHBondContact CG-CE1 3.18Å; F302-H313 AromaticContact CG-CG 3.62Å; F302-H313 AromaticContact CG-ND1 3.28Å; F302-H313 VanDerWaalsContact CG-ND1 3.28Å; F302-H313 WeakPolarHBondContact CG-ND1 3.4Å; F302-H313 AromaticContact CG-NE2 3.81Å; F302-H313 HydrophobicContact CZ-CB 3.93Å; F302-H313 AromaticContact CZ-ND1 3.96Å; R309-H313 WeakPolarHBondContact O-CB 3.43Å; R309-H313 PolarHBondContact O-N 3.21Å; L310-H313 WeakPolarHBondContact O-CA 3.26Å; L310-H313 WeakPolarHBondContact O-CB 3.39Å; L310-H313 PolarHBondContact O-N 3.41Å; S311-H313 VanDerWaalsContact C-N 3.27Å; S311-H313 PolarHBondContact O-N 3.16Å; H313-N315 VanDerWaalsContact C-N 3.32Å; H313-N315 PolarHBondContact O-N 2.91Å; H313-S316 CarbonylContact O-C 3.59Å; H313-S316 PolarHBondContact O-N 3.35Å; H313-S316 PolarHBondContact O-OG 3.33Å; H313-S316 VanDerWaalsContact O-OG 3.14Å; H313-R317 WeakPolarHBondContact O-CB 3.45Å; H313-R317 PolarHBondContact O-N 2.79Å; H313-H318 AromaticContact CD2-CD2 3.9Å; H313-H318 AromaticContact CD2-NE2 3.57Å; H313-H318 AromaticContact NE2-CD2 3.82Å; H313-H318 AromaticContact NE2-CE1 3.98Å; H313-H318 AromaticContact NE2-NE2 3.03Å; H313-H318 PolarHBondContact NE2-NE2 2.8Å
314I83.9Confident72.2Confident14 Ų1481.8 Ų81.87%0.07242%0.423CS..Hα-helixtrans-57-47.6178.3-63.2168.9000110.4Y299 L310 S311 S316 R317 H318 L319 P329Y299-I314 HydrophobicContact CE2-CG2 4.25Å; L310-I314 HydrophobicContact CD1-CD1 3.9Å; L310-I314 HydrophobicContact CD1-CG1 4.09Å; L310-I314 HydrophobicContact CD2-CD1 4.39Å; L310-I314 HydrophobicContact CG-CD1 3.81Å; L310-I314 HydrophobicContact CG-CG1 4.4Å; L310-I314 WeakPolarHBondContact O-CG1 3.49Å; L310-I314 PolarHBondContact O-N 2.89Å; S311-I314 PolarHBondContact O-N 3.19Å; I314-S316 PolarHBondContact O-N 3.16Å; I314-S316 VanDerWaalsContact O-N 3.09Å; I314-R317 PolarHBondContact O-N 2.98Å; I314-H318 HydrophobicContact CG2-CB 4.44Å; I314-H318 PolarHBondContact O-N 3.4Å; I314-L319 HydrophobicContact CG2-CD1 4.36Å; I314-L319 PolarHBondContact O-N 3.23Å; I314-P329 HydrophobicContact CD1-CB 3.89Å
315N81.1Confident69.8Low97 Ų9787.7 Ų87.752%0.51945%0.454SS..Hα-helixtrans-64.5-10177.3-61.310.8000114.6S311 H313 L319S311-N315 VanDerWaalsContact O-CB 3.24Å; S311-N315 WeakPolarHBondContact O-CB 3.49Å; S311-N315 PolarHBondContact O-N 2.89Å; S311-N315 PolarHBondContact O-OD1 2.87Å; H313-N315 VanDerWaalsContact C-N 3.32Å; H313-N315 PolarHBondContact O-N 2.91Å; N315-L319 HydrophobicContact CB-CD1 4.31Å; N315-L319 VanDerWaalsContact OD1-CD1 3.29Å; N315-L319 WeakPolarHBondContact OD1-CD1 3.24Å
316S80.7Confident67.9Low84 Ų8493.9 Ų93.959%0.58747%0.472SS*.Hα-helixtrans-121.4-7.4179.960.80000115.1R312 H313 I314R312-S316 WeakPolarHBondContact O-CB 3.37Å; R312-S316 PolarHBondContact O-N 2.85Å; R312-S316 PolarHBondContact O-OG 3.43Å; H313-S316 CarbonylContact O-C 3.59Å; H313-S316 PolarHBondContact O-N 3.35Å; H313-S316 PolarHBondContact O-OG 3.33Å; H313-S316 VanDerWaalsContact O-OG 3.14Å; I314-S316 PolarHBondContact O-N 3.16Å; I314-S316 VanDerWaalsContact O-N 3.09Å
317R78.3Confident65.9Low178 Ų17895 Ų9567%0.67248%0.481SS*.Hα-helixtrans-125.7-31.5-178.5-76.1-69.9-172.3149.2-2.3114.9H313 I314H313-R317 WeakPolarHBondContact O-CB 3.45Å; H313-R317 PolarHBondContact O-N 2.79Å; I314-R317 PolarHBondContact O-N 2.98Å
318H81.5Confident64.2Low25 Ų25101.6 Ų101.612%0.11651%0.508CS..THydrogen-bonded Turntrans-120.9-28.5-168.7-51.6-51.4000112.8C297 Y299 C300 H313 I314 S320 S321 L322C297-H318 PolarHBondContact SG-CD2 3.27Å; C297-H318 PolarHBondContact SG-NE2 3.14Å; Y299-H318 HydrophobicContact CD2-CB 3.83Å; Y299-H318 AromaticContact CD2-CD2 3.77Å; Y299-H318 AromaticContact CD2-CG 3.81Å; Y299-H318 HydrophobicContact CE2-CB 4.38Å; Y299-H318 HydrophobicContact CG-CB 4.01Å; Y299-H318 AromaticContact CG-CG 3.84Å; C300-H318 PolarHBondContact SG-NE2 2.67Å; C300-H318 VanDerWaalsContact SG-NE2 3.36Å; H313-H318 AromaticContact CD2-CD2 3.9Å; H313-H318 AromaticContact CD2-NE2 3.57Å; H313-H318 AromaticContact NE2-CD2 3.82Å; H313-H318 AromaticContact NE2-CE1 3.98Å; H313-H318 AromaticContact NE2-NE2 3.03Å; H313-H318 PolarHBondContact NE2-NE2 2.8Å; I314-H318 HydrophobicContact CG2-CB 4.44Å; I314-H318 PolarHBondContact O-N 3.4Å; H318-S320 PolarHBondContact O-N 3.11Å; H318-S320 VanDerWaalsContact O-N 3.11Å; H318-S321 CarbonylContact O-C 3.58Å; H318-S321 PolarHBondContact O-N 3.08Å; H318-S321 PolarHBondContact O-OG 3.06Å; H318-S321 VanDerWaalsContact O-OG 3.07Å; H318-L322 PolarHBondContact O-N 2.57Å
319L63.5Low62.1Low81 Ų8198.7 Ų98.742%0.42450%0.495SS..THydrogen-bonded Turntrans-72.66.3172.3-94.3160.2000114.7I314 N315 L322I314-L319 HydrophobicContact CG2-CD1 4.36Å; I314-L319 PolarHBondContact O-N 3.23Å; N315-L319 HydrophobicContact CB-CD1 4.31Å; N315-L319 VanDerWaalsContact OD1-CD1 3.29Å; N315-L319 WeakPolarHBondContact OD1-CD1 3.24Å; L319-L322 HydrophobicContact CD2-CB 4.41Å
320S50Low60.1Low106 Ų10697.2 Ų97.274%0.74150%0.502SS*.THydrogen-bonded Turntrans-91-5.9162.649.20000113.4H318H318-S320 PolarHBondContact O-N 3.11Å; H318-S320 VanDerWaalsContact O-N 3.11Å
321S47.8Very low57.5Low98 Ų98100 Ų10069%0.68552%0.521SS*.SBendtrans-132.113.7177.460.70000112.8H318H318-S321 CarbonylContact O-C 3.58Å; H318-S321 PolarHBondContact O-N 3.08Å; H318-S321 PolarHBondContact O-OG 3.06Å; H318-S321 VanDerWaalsContact O-OG 3.07Å
322L44.6Very low55.3Low61 Ų61104.7 Ų104.732%0.31954%0.543SS..  trans-122.682.4179.1-159.478.4000108.8H318 L319H318-L322 PolarHBondContact O-N 2.57Å; L319-L322 HydrophobicContact CD2-CB 4.41Å
323E37.3Very low52.8Low176 Ų176102.5 Ų102.582%0.82254%0.539SS*.  trans-62.9145.8168.1-65-168.6142.400110.2D325E323-D325 PolarHBondContact O-N 3.17Å
324H35.5Very low50.1Low180 Ų180105.6 Ų105.683%0.83356%0.56SS**SBendtrans46.664.8161.8-65.7-69.1000118
325D36.9Very low47.6Very low128 Ų128110.6 Ų110.668%0.68458%0.583SS**  -161.9163.7118.9-127.4-34.5000115.9E323 V327E323-D325 PolarHBondContact O-N 3.17Å; D325-V327 HydrophobicContact CB-CG2 4.11Å; D325-V327 PolarHBondContact O-N 3.13Å; D325-V327 VanDerWaalsContact O-N 3.09Å
326K40.4Very low45.2Very low201 Ų201109.9 Ų109.987%0.87458%0.584SS**  trans-82.760.7169.4-73.5-178.1-178.4167.20111.5E328K326-E328 PolarHBondContact O-N 3.24Å; K326-E328 VanDerWaalsContact O-N 3.1Å
327V38.8Very low42.7Very low91 Ų91112 Ų11255%0.55259%0.593SS**  trans-67.9107171.5-174.90000108.7D325D325-V327 HydrophobicContact CB-CG2 4.11Å; D325-V327 PolarHBondContact O-N 3.13Å; D325-V327 VanDerWaalsContact O-N 3.09Å
328E45.1Very low40.2Very low175 Ų175107.7 Ų107.782%0.81859%0.59SS**  trans-59.9130.6160.2-81.6-158.3134.200107.7K326 S330K326-E328 PolarHBondContact O-N 3.24Å; K326-E328 VanDerWaalsContact O-N 3.1Å; E328-S330 PolarHBondContact O-N 2.95Å
329P37.8Very low37.6Very low40 Ų40114.4 Ų114.426%0.2663%0.626SS.*  trans-64.9108-178.225.7-33.3000109.5I314 C331I314-P329 HydrophobicContact CD1-CB 3.89Å; P329-C331 PolarHBondContact O-N 2.98Å; P329-C331 PolarHBondContact O-SG 3.28Å
330S37.9Very low35.9Very low83 Ų83114 Ų11458%0.5863%0.63SS**  trans-53.498.5-179.3-69.20000110.9E328 L332E328-S330 PolarHBondContact O-N 2.95Å; S330-L332 PolarHBondContact O-N 3.3Å
331C33.5Very low34.9Very low64 Ų64115.8 Ų115.843%0.43263%0.631SS.*  trans-75.861.9-175-72.50000112F295 P329 Q333F295-C331 HydrophobicContact CD1-CB 4.41Å; F295-C331 HydrophobicContact CE1-CB 4.28Å; P329-C331 PolarHBondContact O-N 2.98Å; P329-C331 PolarHBondContact O-SG 3.28Å; C331-Q333 PolarHBondContact O-N 2.73Å
332L34.4Very low33.7Very low135 Ų135118 Ų11871%0.70763%0.634SS**  trans-64.1104.9174.9-74.3175000109.6S330 V334S330-L332 PolarHBondContact O-N 3.3Å; L332-V334 VanDerWaalsContact C-N 3.33Å; L332-V334 PolarHBondContact O-N 2.87Å
333Q32.5Very low32.8Very low109 Ų109119.4 Ų119.451%0.50965%0.649SS.*  trans-75.385.3179.6-172.7-174.3-1300109.8N293 C331 H335N293-Q333 PolarHBondContact ND2-NE2 3.2Å; N293-Q333 PolarHBondContact OD1-NE2 3.03Å; N293-Q333 VanDerWaalsContact OD1-NE2 3.12Å; C331-Q333 PolarHBondContact O-N 2.73Å; Q333-H335 PolarHBondContact O-N 3.09Å
334V30.8Very low32.2Very low91 Ų91117.4 Ų117.455%0.55264%0.644SS**  trans-65.2101.7170-176.50000108.6L332L332-V334 VanDerWaalsContact C-N 3.33Å; L332-V334 PolarHBondContact O-N 2.87Å
335H32Very low31.9Very low119 Ų119117.5 Ų117.555%0.55165%0.645SS**  trans-63.7127.7163.8-106.1-95.6000108.2Q333 T337Q333-H335 PolarHBondContact O-N 3.09Å; H335-T337 PolarHBondContact O-N 3.29Å
336P29.2Very low31.3Very low83 Ų83118.2 Ų118.254%0.53965%0.647SS.*  trans-67.2102.9166.927.9-31.4000107.6P291P291-P336 HydrophobicContact CB-CG 3.88Å; P291-P336 HydrophobicContact CG-CG 4.03Å
337T29.3Very low30.5Very low129 Ų129116 Ų11679%0.79164%0.643SS**  trans-57.8140.916634.20000108.8H335 L339H335-T337 PolarHBondContact O-N 3.29Å; T337-L339 PolarHBondContact O-N 3.2Å
338S25.9Very low29.9Very low86 Ų86117.4 Ų117.460%0.60165%0.652SS**  trans-63.3132-179.542.70000110.3S340S338-S340 WeakPolarHBondContact CB-OG 3.19Å; S338-S340 PolarHBondContact O-N 2.82Å; S338-S340 PolarHBondContact O-OG 3.37Å; S338-S340 PolarHBondContact OG-OG 2.79Å
339L26.2Very low28.8Very low166 Ų166115.6 Ų115.687%0.86965%0.654SS**THydrogen-bonded Turntrans-71.570.5166.1-75.1163.2000108.8T337 I342T337-L339 PolarHBondContact O-N 3.2Å; L339-I342 HydrophobicContact CD2-CD1 3.98Å
340S28.2Very low28.2Very low74 Ų74118.3 Ų118.352%0.51767%0.673SS.*THydrogen-bonded Turntrans-129.8-35.5-179.5500000112S338S338-S340 WeakPolarHBondContact CB-OG 3.19Å; S338-S340 PolarHBondContact O-N 2.82Å; S338-S340 PolarHBondContact O-OG 3.37Å; S338-S340 PolarHBondContact OG-OG 2.79Å
341D28.2Very low27.5Very low142 Ų142121 Ų12176%0.75968%0.681SS**  trans-106.348.8-172.6-60.6-80.6000112.1S343D341-S343 VanDerWaalsContact C-N 3.34Å; D341-S343 PolarHBondContact O-N 2.71Å
342I24.2Very low27.2Very low144 Ų144129.1 Ų129.174%0.73871%0.705SS**  trans-87.678.4162.8-54.4178.9000107.8L339L339-I342 HydrophobicContact CD2-CD1 3.98Å
343S24.6Very low26.7Very low92 Ų92127.8 Ų127.864%0.64371%0.706SS**  trans-160.1141.9165.3-161.10000112.8D341D341-S343 VanDerWaalsContact C-N 3.34Å; D341-S343 PolarHBondContact O-N 2.71Å
344N25.6Very low26.4Very low133 Ų133127.9 Ų127.971%0.71172%0.719SS**SBendtrans75.6129.5173.9-45.3-55.1000117.3
345Q28.1Very low26.2Very low182 Ų182128.6 Ų128.685%0.8573%0.728SS**  trans62.196.5165.8-56.4173.443.900115
346I24.3Very low25.9Very low143 Ų143127.7 Ų127.773%0.73374%0.735SS**  cis64.9103.917.4-57.3-179000114.1
347I24.4Very low25.7Very low154 Ų154128.5 Ų128.579%0.7974%0.743SS**  trans70.6140.7162.2-61.1168.6000112.9
348T25.5Very low25.5Very low122 Ų122127.8 Ų127.875%0.74874%0.743SS**  cis-136.3154.926.9-28.30000113.9
349T22.3Very low25.4Very low137 Ų137128.6 Ų128.684%0.8475%0.749SS**  trans-119.9116.3160.750.10000110.6
350S24.5Very low25.3Very low96 Ų96125.1 Ų125.167%0.67174%0.738SS**  trans170133.5151.655.20000111.3
351D24.1Very low25.2Very low141 Ų141132 Ų13275%0.75476%0.759SS**  trans23.3124.5137.2-41-35.6000119.5
352Y27.1Very low24.9Very low234 Ų234132.2 Ų132.292%0.91876%0.76SS**  -168.2153.5101-120.3-97000112.4
353S24.5Very low25Very low107 Ų107133.5 Ų133.575%0.74877%0.766SS**  trans-82.5137.4176.3-49.20000112.2
354S26Very low24.9Very low111 Ų111133.8 Ų133.878%0.77676%0.764SS**  174.8135.9127.142.50000114.2
355S25.5Very low25Very low106 Ų106134.2 Ų134.274%0.74177%0.772SS**  trans8.3158.7148.556.30000123.3
356S26.5Very low24.9Very low100 Ų100129.7 Ų129.770%0.69976%0.76SS**  trans99.499.7148.9-470000118.2
357S25.6Very low25.2Very low100 Ų100130.5 Ų130.570%0.69977%0.766SS**  49.9118.612763.60000122
358S24.6Very low25.5Very low113 Ų113127.6 Ų127.679%0.7976%0.759SS**  86.9151.7127.5-60.70000122
359S23.9Very low26.1Very low104 Ų104127.2 Ų127.273%0.72776%0.762SS**  trans69.197.8162.952.80000119.9
360S24Very low26.6Very low93 Ų93128.6 Ų128.665%0.6576%0.763SS**  35.8131.2121.462.10000121.3
361F25.2Very low27.2Very low218 Ų218128.8 Ų128.896%0.95676%0.762SS**  -139.5145.8123.6-89.1-70000111.4
362L23.2Very low27.5Very low146 Ų146127.8 Ų127.876%0.76476%0.761SS**  trans-113149.1-179.8-83.9160.7000110
363I25.2Very low27.7Very low171 Ų171122 Ų12288%0.87775%0.749SS**  trans-132.3132.1152.3-61-176.6000108
364T23Very low28Very low99 Ų99123.4 Ų123.461%0.60775%0.749SS**  trans-127.9140.3-170.8-50.10000109.8
365V27.4Very low28.4Very low142 Ų142122.6 Ų122.686%0.86174%0.743SS**  trans-134.3136.7159.9-175.50000108.7
366S26.1Very low28.9Very low87 Ų87124.1 Ų124.161%0.60875%0.748SS**  trans-106.9161.4-165.5-550000113.1
367N31.7Very low28.9Very low159 Ų159124.3 Ų124.385%0.8575%0.749SS**  -176.8117.3129.1-87.2-17.4000107.9
368S30.4Very low29.5Very low94 Ų94124 Ų12466%0.65775%0.745SS**  cis109.394.327.7670000111.9
369S38.3Very low29.6Very low114 Ų114125.6 Ų125.680%0.79775%0.745SS**  trans-173.468.6152.156.20000114.7
370L32.2Very low29.7Very low165 Ų165124.4 Ų124.486%0.86474%0.737SS**  60.3166.9124.8-59.5173000118.9
371P37.5Very low30Very low100 Ų100128.3 Ų128.365%0.64974%0.742SS**  -143.4-154.4-94.437.8-12.7000113.6
372V30.3Very low30Very low121 Ų121125.8 Ų125.873%0.73373%0.733SS**  trans68.5132.3145.6159.40000116.4
373T30.8Very low30.2Very low111 Ų111125.2 Ų125.268%0.68174%0.736SS**  cis-160.8-177.8-223.80000107.8
374D31.1Very low30.2Very low137 Ų137124.3 Ų124.373%0.73373%0.731SS**  cis-155.7-178.68.9-134.3-46.1000113.3
375S34.2Very low30.5Very low94 Ų94126 Ų12666%0.65774%0.742SS**  trans84.2108.9146.672.10000121.7
376T34.8Very low30.4Very low138 Ų138123.6 Ų123.685%0.84773%0.731SS**  trans68.690.414034.90000122.1
377S28.5Very low30.6Very low104 Ų104127.3 Ų127.373%0.72774%0.744SS**  trans-75.8-157.914059.50000111.4
378P36.3Very low30.6Very low95 Ų95125.9 Ų125.962%0.61774%0.741SS**  cis-128.4-154.9-46.729-6.5000111.4
379N27.6Very low30.7Very low145 Ų145126.6 Ų126.678%0.77574%0.744SS**  trans71.3161.1158.8-59.3-10.6000116.5
380S26.4Very low30.2Very low80 Ų80125.6 Ų125.656%0.55974%0.737SS**  cis-170.2-161.2-30.855.30000107.2
381F29.6Very low30Very low174 Ų174123.2 Ų123.276%0.76373%0.729SS**  trans79.2105.1170.5-56.7-73.8000119.3
382E24.4Very low29.6Very low165 Ų165127 Ų12777%0.77174%0.736SS**  19.3136.6115.1-56.3169.7122.200119.8
383T29.3Very low29.5Very low135 Ų135126.2 Ų126.283%0.82873%0.732SS**  -170.3143.6110.9-750000111
384I24.5Very low29.5Very low151 Ų151126.5 Ų126.577%0.77473%0.733SS**  trans-96134177.1-60.5161000109.8
385V29.2Very low29.5Very low135 Ų135127.3 Ų127.382%0.81873%0.733SS**  trans-140.5120.5155.8-175.20000110.2
386S25.1Very low29.4Very low92 Ų92128.6 Ų128.664%0.64373%0.732SS**  trans-100157.4169.5-53.70000110.1
387N31.2Very low29.4Very low164 Ų164128.2 Ų128.288%0.87773%0.725SS**  trans-167.5130.8142-96.7-26.6000113.4
388T30.3Very low29.9Very low129 Ų129128.8 Ų128.879%0.79172%0.72SS**  trans-84.6-175.816243.30000108.8
389P32.7Very low29.9Very low109 Ų109130.5 Ų130.571%0.70872%0.724SS**  cis-153.8-178.224.742.3-17.9000120.9
390S28.8Very low30.2Very low93 Ų93129.5 Ų129.565%0.6572%0.718SS**  trans63.2110.8141.662.40000124.4
391T28Very low30.5Very low116 Ų116132 Ų13271%0.71273%0.725SS**  49.2126.4111.4-32.30000121.4
392F28.2Very low30.5Very low179 Ų179134.6 Ų134.679%0.78573%0.732SS**  174138.5112.3-109.1-88.2000117.4
393T29.6Very low30.7Very low105 Ų105130.1 Ų130.164%0.64473%0.729SS**  trans57.9109.6147.735.20000127.1
394T29.6Very low30.7Very low117 Ų117129 Ų12972%0.71873%0.727SS**  65.8138.7114.157.70000127.7
395Q30.4Very low30.7Very low154 Ų154127.3 Ų127.372%0.7273%0.727SS**  trans96.8120135.1-86.5-166.3-68.100122.6
396D32.2Very low30.6Very low120 Ų120128.3 Ų128.364%0.64273%0.728SS**  46.7143.3124.7-48-9.2000120.2
397N35.9Very low30.9Very low131 Ų131129 Ų12970%0.70173%0.731SS**  cis-171.3166.435.8-139.5-28.9000114.7
398N37.7Very low30.7Very low116 Ų116126 Ų12662%0.6272%0.722SS**  trans63.6101.6146.9-75.7-41.7000125.3
399N36.8Very low30.4Very low131 Ų131124.7 Ų124.770%0.70172%0.718SS**  75.2139.4101.5-87.5-28.5000126.5
400N35.1Very low30.1Very low123 Ų123129.8 Ų129.866%0.65873%0.725SS**  trans92.295.1137.3-73.3-18.9000124.6
401N31.8Very low29.9Very low132 Ų132133.6 Ų133.671%0.70673%0.733SS**  73.5157115-84.1-21.1000124.1
402Y29.8Very low29.8Very low230 Ų230133.4 Ų133.490%0.90274%0.736SS**  trans70.1138.1179.5-52.8-83.9000115.5
403G28.9Very low29.7Very low70 Ų70134.7 Ų134.772%0.72274%0.742SS**  cis169.2178.4-6.800000112.3
404S28.4Very low29.7Very low112 Ų112134.1 Ų134.178%0.78374%0.74SS**  trans70.8105.4165.5-171.30000120.9
405C24.8Very low29.5Very low115 Ų115135.6 Ų135.678%0.77774%0.743SS**  41.4124.3126.9-550000123.1
406N28.4Very low29.1Very low157 Ų157134.2 Ų134.284%0.8475%0.745SS**  28.9154.6111.7-86.93.3000121.5
407P31.5Very low28.8Very low107 Ų107134.3 Ų134.370%0.69575%0.752SS**  cis-139.4-149.3-5.341.3-20000113.1
408S25.8Very low28Very low99 Ų99133.6 Ų133.669%0.69275%0.752SS**  trans70.6129.2173.469.40000116
409S23.8Very low27.4Very low102 Ų102134.4 Ų134.471%0.71376%0.762SS**  cis81.874.233.186.10000114.9
410Y26.1Very low26.7Very low216 Ų216133.6 Ų133.685%0.84776%0.761SS**  trans-145.5156.1152.4-100.5-74000112.8
411E24.7Very low26.2Very low173 Ų173133.6 Ų133.681%0.80877%0.77SS**  trans-57.5143.8-175.4-54.9156.4116.200114.9
412S26.6Very low25.7Very low113 Ų113136 Ų13679%0.7977%0.774SS**  trans-175110.1141.3-174.60000112.3
413F27Very low25.6Very low205 Ų205133.4 Ų133.490%0.89978%0.776SS**  trans-85144.1141.7-67.3-84.2000105.9
414P28.3Very low25.4Very low93 Ų93139.5 Ų139.560%0.60478%0.782SS**  cis-150.3-178.247.838.6-17.2000116.1
415N26.2Very low25.3Very low148 Ų148139.3 Ų139.379%0.79178%0.781SS**  162.8120.7121.8-84.5-42.7000111.6
416V22.5Very low25.3Very low126 Ų126139.8 Ų139.876%0.76478%0.781SS**  trans-107.4120.8172.5178.10000109.1V418V416-V418 HydrophobicContact CG1-CG2 4.03Å; V416-V418 PolarHBondContact O-N 3.03Å
417P24.1Very low25.1Very low121 Ų121137.4 Ų137.479%0.78678%0.775SS**  trans-76.5121.5168.130.4-31.1000110
418V20.9Very low24.9Very low116 Ų116140.1 Ų140.170%0.70378%0.778SS**  trans-113118.4173.7-179.90000109.3V416 V420V416-V418 HydrophobicContact CG1-CG2 4.03Å; V416-V418 PolarHBondContact O-N 3.03Å; V418-V420 HydrophobicContact CG1-CG2 4.07Å
419T24.3Very low25Very low133 Ų133142 Ų14282%0.81678%0.78SS**  trans-100.6122176.9-46.30000110.2
420V21.4Very low25.1Very low114 Ų114141.6 Ų141.669%0.69178%0.778SS**  trans-117.2117.5-179.5179.90000110.5V418V418-V420 HydrophobicContact CG1-CG2 4.07Å
421C24.5Very low25.3Very low124 Ų124138.4 Ų138.484%0.83878%0.775SS**  trans-107.4110.5171.1-69.70000110.9
422K22.3Very low25.4Very low182 Ų182137.8 Ų137.879%0.79177%0.771SS**  trans-94.2149.3161.7-71172.2178.5165.80108.9
423N28.2Very low25.5Very low175 Ų175140.1 Ų140.194%0.93678%0.775SS**  trans-162.7163.7130.1-98.5-28.8000111.8
424K24.2Very low25.4Very low199 Ų199136 Ų13687%0.86577%0.767SS**  trans-127.1140.3-169.3-61.2175.2176.71790112.7
425S25.8Very low25.3Very low108 Ų108139.3 Ų139.376%0.75578%0.779SS**  trans-179.4134.114142.40000108
426T24.2Very low25.3Very low125 Ų125136.9 Ų136.977%0.76777%0.773SS**  cis65.9124.948.470.90000112.3
427C25.7Very low25.5Very low106 Ų106140.3 Ų140.372%0.71678%0.778SS**  cis-138.3141.218.9-590000110.9
428E25.7Very low25.5Very low165 Ų165139.3 Ų139.377%0.77177%0.773SS**  78.6148.298.4-68.1-161160.800119.3
429N29.2Very low25.7Very low138 Ų138141.9 Ų141.974%0.73878%0.783SS**  trans73.8151.6157.4-61.5-52.7000120.1
430S24.5Very low25.8Very low94 Ų94141.1 Ų141.166%0.65778%0.782SS**  cis-176.9170.6-35-166.20000108.2
431L31.1Very low26Very low149 Ų149147.1 Ų147.178%0.7879%0.793SS**  trans68.6112.7169.5-51.4178.2000115.9
432H26.7Very low26.2Very low160 Ų160152.9 Ų152.974%0.74180%0.797SS**  60.3107.180.7-87.3-98.1000115.3
433N29.1Very low26.3Very low162 Ų162153 Ų15387%0.86680%0.797SS**  -163.2135.7107.5-100.7-36.1000113.6
434T23.7Very low26.2Very low119 Ų119153.6 Ų153.673%0.7379%0.794SS**  trans-82.2140.9166.444.40000110.9
435L27.9Very low26.3Very low162 Ų162149.3 Ų149.385%0.84879%0.789SS**  trans-177.2111.8131.4-100.1162.5000113.7
436S24.6Very low26.2Very low96 Ų96153.6 Ų153.667%0.67180%0.795SS**  trans27.2110.1135-51.30000121.6
437K26.6Very low26.5Very low198 Ų198153.6 Ų153.686%0.86180%0.797SS**  159.6160.6111.1-89173-179.1177.50114
438S25.3Very low26.5Very low100 Ų100153.4 Ų153.470%0.69980%0.797SS**  trans57.6109.9151.554.60000121.1
439L25.3Very low26.6Very low171 Ų171155 Ų15590%0.89580%0.802SS**  63.7128.5124.1-72.6159.4000121.5
440S26.7Very low26.5Very low116 Ų116156.3 Ų156.381%0.81181%0.807SS**  trans92.8153.3143.3-150.50000119.5
441R25.5Very low26.7Very low241 Ų241157.7 Ų157.791%0.90981%0.814SS**  trans-56.3141.5-173.2-62.8163.6162.2178.8-7113.3
442R26.9Very low26.4Very low245 Ų245153 Ų15393%0.92580%0.801SS**  trans-146.5155.4137.3-142.5164.6-175148.52.4112.3
443K26.1Very low26.4Very low183 Ų183153 Ų15380%0.79681%0.807SS**  trans-95.5178.9179.6-61.3-178.8175.4-176.80110.7
444Q25.1Very low26.2Very low188 Ų188150 Ų15088%0.87980%0.799SS**  trans77.3149.8165.4-64.3160-34.300114
445S26.1Very low26.4Very low109 Ų109151 Ų15176%0.76280%0.8SS**  cis-128.3157.918.550.40000115.6
446F23.9Very low26.2Very low198 Ų198148.8 Ų148.887%0.86879%0.793SS**  trans-80138.6153.9-78.3-97.3000109.1
447P31.5Very low26.1Very low125 Ų125152.3 Ų152.381%0.81280%0.802SS**  trans-87.498.7156.732.3-26.8000109.3K449P447-K449 PolarHBondContact O-N 3.29Å
448S25Very low25.9Very low103 Ų103151.1 Ų151.172%0.7280%0.8SS**  trans-83.5108.3173.450.90000111.1
449K27.9Very low25.8Very low199 Ų199154.5 Ų154.587%0.86581%0.809SS**  trans177.2124.9148.2-100.2158.5-174.8-173.90111.1P447P447-K449 PolarHBondContact O-N 3.29Å
450I27.9Very low25.7Very low164 Ų164151.5 Ų151.584%0.84180%0.8SS**  trans-91.8131.4157.9-63169.2000105.9
451P28.2Very low25.5Very low124 Ų124152.4 Ų152.481%0.80580%0.8SS**  -119.1155.8107.335.8-33.6000110.1
452G24.8Very low25.5Very low51 Ų51147 Ų14753%0.52679%0.794SS.*  cis158.3136.72.700000107.6
453D25.8Very low25.3Very low159 Ų159145 Ų14585%0.8579%0.788SS**  trans65.9127173.1-46.5-33.6000118.3
454S26.4Very low25.4Very low100 Ų100142 Ų14270%0.69979%0.79SS**  trans37.5145.814651.90000123.1
455D26.2Very low25.4Very low140 Ų140139.2 Ų139.275%0.74978%0.781SS**  cis-155.6158.2-12.9-113.9-41000112.4
456T24.1Very low25.5Very low115 Ų115141.7 Ų141.771%0.70679%0.785SS**  trans19.8115162.961.10000120.3
457I22.8Very low25.6Very low170 Ų170143.8 Ų143.887%0.87279%0.788SS**  trans-128123.8143.2-62.6-176.4000109.1
458Q22.5Very low25.5Very low173 Ų173147.2 Ų147.281%0.80879%0.79SS**  trans-86.2155.7177.9-56.4170.3-2.100111.4
459L22.9Very low25.6Very low170 Ų170149 Ų14989%0.8979%0.792SS**  trans-147.9156.2143.8-84.6-166.7000110.3
460P23.5Very low25.8Very low109 Ų109147.1 Ų147.171%0.70879%0.791SS**  trans-98.3158.8-148.436.7-37.9000116.3
461V23.1Very low25.9Very low134 Ų134143.5 Ų143.581%0.81278%0.78SS**  trans-103.2125.7162.5178.10000108.8
462V25.5Very low25.8Very low128 Ų128144 Ų14478%0.77678%0.784SS**  trans-104.4124.4177.7176.80000109.6
463Y22.9Very low26Very low203 Ų203148.8 Ų148.880%0.79680%0.795SS**  trans-75.9149.5172.6-84.3-98.6000111.8
464S27Very low26Very low120 Ų120151.4 Ų151.484%0.83980%0.799SS**  trans-147.4116.1152.946.60000109.5
465N25.3Very low26Very low130 Ų130151.9 Ų151.970%0.69580%0.803SS**  trans-76.1161.7172.2-66.1-31.1000110
466N27.6Very low26.1Very low160 Ų160152.4 Ų152.486%0.85681%0.805SS**  -175.3139.7111.1-87.9-10.4000111.3
467R26.6Very low26.2Very low243 Ų243155.4 Ų155.492%0.91781%0.811SS**  trans-88.3160.7158.7-71.2-175.4175.6-167.7-1.3108.7
468F28.8Very low26.3Very low196 Ų196153.6 Ų153.686%0.8680%0.802SS**  trans-74145.6166.9-92.1-98.2000111.4
469N28Very low26.5Very low142 Ų142149.6 Ų149.676%0.75979%0.793SS**  trans8.1132.2157.9-52.5-2.1000118.9
470D31.9Very low26.7Very low158 Ų158147.5 Ų147.585%0.84578%0.782SS**  -146.2173.7112.3-137.2-33.4000112.1
471S30.1Very low27Very low89 Ų89149.4 Ų149.462%0.62279%0.786SS**  trans-79.9154.6-158.6-55.70000115.5I473S471-I473 PolarHBondContact O-N 2.81Å; S471-I473 VanDerWaalsContact O-N 3.15Å
472P25.6Very low27.1Very low134 Ų134150.4 Ų150.487%0.8779%0.787SS**  trans-82.394.7-174.232.8-35.6000113.3
473I29Very low27.5Very low151 Ų151154 Ų15477%0.77479%0.792SS**  trans-97.5124.2168.2-63.4-179.2000110.2S471 S475S471-I473 PolarHBondContact O-N 2.81Å; S471-I473 VanDerWaalsContact O-N 3.15Å; I473-S475 PolarHBondContact O-N 3.2Å
474K26.3Very low27.7Very low215 Ų215147.6 Ų147.694%0.93579%0.787SS**  trans-75.5101.1170.5-68.4177.4179.5175.80109.9
475S26.7Very low27.9Very low110 Ų110148.9 Ų148.977%0.76979%0.785SS**  trans-110.3109.7161.956.40000109.5I473I473-S475 PolarHBondContact O-N 3.2Å
476L28.1Very low28Very low150 Ų150148.1 Ų148.179%0.78579%0.785SS**  trans-54.3140.3-176.2-164.273.4000112.5L478L476-L478 HydrophobicContact CD2-CG 4.38Å; L476-L478 PolarHBondContact O-N 2.69Å; L476-L478 VanDerWaalsContact O-N 3.09Å
477E25.8Very low28.2Very low178 Ų178147.4 Ų147.483%0.83278%0.78SS**  trans-65.1108.9165.1-72.6-174.4109.100109.8
478L25.1Very low28.5Very low132 Ų132142.1 Ų142.169%0.69177%0.77SS**  trans-112.467164.4-85.7168000109.5L476 I480L476-L478 HydrophobicContact CD2-CG 4.38Å; L476-L478 PolarHBondContact O-N 2.69Å; L476-L478 VanDerWaalsContact O-N 3.09Å; L478-I480 HydrophobicContact CD2-CG1 4.43Å; L478-I480 PolarHBondContact O-N 3.26Å
479S27Very low28.6Very low89 Ų89138.2 Ų138.262%0.62276%0.758SS**  trans-71.967.4169.344.90000110.8N481S479-N481 PolarHBondContact O-N 3.29Å
480I26.6Very low28.8Very low127 Ų127139.2 Ų139.265%0.65176%0.758SS**  trans-6795.8176-60.1179.2000108.8L478 N482L478-I480 HydrophobicContact CD2-CG1 4.43Å; L478-I480 PolarHBondContact O-N 3.26Å; I480-N482 PolarHBondContact O-N 3.32Å
481N29.3Very low28.8Very low148 Ų148136.1 Ų136.179%0.79175%0.749SS**  trans-6894.1173.8-80.6-55.4000110.1S479 K483S479-N481 PolarHBondContact O-N 3.29Å; N481-K483 PolarHBondContact O-N 3.15Å
482N26.2Very low29.1Very low156 Ų156137.7 Ų137.783%0.83476%0.76SS**  trans-63.691.5172.6-88.6-21.6000111.2I480I480-N482 PolarHBondContact O-N 3.32Å
483K32.6Very low29.3Very low204 Ų204135 Ų13589%0.88776%0.756SS**  trans-139112.9164.4-87.4-168.8175-179.40111.3N481N481-K483 PolarHBondContact O-N 3.15Å
484G28.8Very low29.5Very low68 Ų68133.4 Ų133.470%0.70176%0.758SS**  trans103.5117.2150.100000116.4
485N30Very low29.5Very low147 Ų147127 Ų12779%0.78674%0.74SS**  trans72.6108130.4-74.118000120.3
486T28.7Very low29.5Very low113 Ų113132.1 Ų132.169%0.69375%0.745SS**  57.7117.6122.461.20000117.5
487L31.7Very low29.5Very low145 Ų145129.1 Ų129.176%0.75974%0.741SS**  cis-168160.742.3-100.3132.9000112.5
488L33Very low29.6Very low132 Ų132126.8 Ų126.869%0.69175%0.745SS**  trans61.9107.6149-62.8168000120.9
489N29.3Very low30Very low115 Ų115124.5 Ų124.562%0.61575%0.752SS**  91.4129115.6-74.425000122.7
490E32.4Very low30Very low162 Ų162125.4 Ų125.476%0.75776%0.759SS**  trans74131.3139.2-66168.5-121.700118.3
491S32.5Very low30.2Very low94 Ų94125.3 Ų125.366%0.65777%0.765SS**  cis-159157.90.6-112.30000113.6
492S36Very low30.3Very low122 Ų122125.5 Ų125.585%0.85377%0.765SS**  trans65.5136.7170.3-54.80000116.8
493G31.2Very low30.6Very low76 Ų76124.8 Ų124.878%0.78476%0.761SS**  cis112.8136.411.700000110.3
494S31.5Very low30.8Very low118 Ų118121.8 Ų121.883%0.82575%0.754SS**  cis-146.3157.57.9-177.50000111.5
495S27.4Very low31.2Very low80 Ų80124.3 Ų124.356%0.55976%0.756SS**  trans-78.3162164.148.80000112.4
496Y25.7Very low31.3Very low219 Ų219121.8 Ų121.886%0.85975%0.75SS**  155.1157.7120.4-88.5-67.6000115.3
497A29.5Very low31.6Very low86 Ų86122.9 Ų122.971%0.71175%0.752SS**  trans68.9107.2151.300000121.3
498S27.6Very low31.7Very low130 Ų130122.7 Ų122.791%0.90975%0.747SS**  27.1118.5120.7-47.50000120.3
499G32.2Very low31.9Very low83 Ų83124.9 Ų124.986%0.85675%0.751SS**  trans-155.6124.2161.100000111.5
500S27Very low31.8Very low108 Ų108126.3 Ų126.376%0.75576%0.759SS**  trans-102.8-177.1171.7580000110.9
501T32Very low31.9Very low126 Ų126124.6 Ų124.677%0.77377%0.765SS**  trans70.9119.6-175.562.40000112.9
502L30.3Very low31.6Very low151 Ų151125.1 Ų125.179%0.79176%0.764SS**  92.4149.854.6-92.2169000112.3
503D33.8Very low31.3Very low142 Ų142128.2 Ų128.276%0.75976%0.762SS**  trans68.6137.7168.9-54.6-8.7000116.9
504D35.9Very low31.2Very low140 Ų140131.2 Ų131.275%0.74976%0.76SS**  cis-163.9-177.7-20.7-156-6.3000109.9
505T36.7Very low30.8Very low121 Ų121128.7 Ų128.774%0.74275%0.752SS**  trans73.2122.4169.363.70000117
506S34Very low31Very low94 Ų94134.8 Ų134.866%0.65777%0.769SS**  98.8140.656.8131.40000111.7
507D33.6Very low30.9Very low137 Ų137131.1 Ų131.173%0.73377%0.769SS**  cis-152.6167.93.3-108.7-40.7000113.7
508E33.8Very low30.8Very low140 Ų140132.6 Ų132.665%0.65477%0.765SS**  trans30.3124.2157.4-63.2-170.1173.600121.7
509K37Very low30.8Very low178 Ų178134.9 Ų134.977%0.77476%0.764SS**  -159.6125.897.2-85.1-47.2161.3-157.10112.8
510D28.5Very low30.6Very low146 Ų146141.3 Ų141.378%0.78176%0.762SS**  trans-69.5155169.5-80.3-61000113
511S33.3Very low30.5Very low125 Ų125141 Ų14187%0.87476%0.76SS**  trans-151.393.8158.7-78.90000110.7
512V26Very low30.3Very low105 Ų105142.2 Ų142.264%0.63676%0.757SS**  trans-96.1130.8179.2174.80000110.6L514V512-L514 HydrophobicContact CG1-CD1 4.22Å
513F30.3Very low30.3Very low188 Ų188143.6 Ų143.683%0.82576%0.757SS**  trans-134118.5154.4-89.3-93.5000108
514L28.7Very low30Very low139 Ų139147.8 Ų147.873%0.72876%0.762SS**  53.4115.777.9-83.570.3000112.2V512V512-L514 HydrophobicContact CG1-CD1 4.22Å
515G24.5Very low29.8Very low65 Ų65148.1 Ų148.167%0.6776%0.763SS**  cis122.190.8-5.500000113.5
516F30.7Very low29.4Very low207 Ų207149.3 Ų149.391%0.90876%0.76SS**  trans-137.689.5169.2-80.4-67.3000112.5
517T24.4Very low29.1Very low142 Ų142149.8 Ų149.887%0.87176%0.763SS**  trans-95.5115.6149.141.70000107.8
518D27.2Very low29.3Very low117 Ų117148.1 Ų148.163%0.62676%0.76SS**  trans-115.5124.5165.3-164.79.9000111.3R520D518-R520 IonicContact OD1-NE 2.69Å; D518-R520 VanDerWaalsContact OD2-CD 3.27Å; D518-R520 WeakPolarHBondContact OD2-CD 3.2Å; D518-R520 IonicContact OD2-NE 3.2Å; D518-R520 PolarHBondContact OD2-NE 3.25Å
519M26.4Very low29Very low179 Ų179150.4 Ų150.488%0.88277%0.77SS**  trans-109.868.3-174.3-93.6-84.8-74.400109.6S521M519-S521 PolarHBondContact O-N 3.24Å
520R29.4Very low28.6Very low217 Ų217145.2 Ų145.282%0.81977%0.767SS**  trans-99.290.6178.8-78.7-179-172.4-114.2-5.1113.8D518D518-R520 IonicContact OD1-NE 2.69Å; D518-R520 VanDerWaalsContact OD2-CD 3.27Å; D518-R520 WeakPolarHBondContact OD2-CD 3.2Å; D518-R520 IonicContact OD2-NE 3.2Å; D518-R520 PolarHBondContact OD2-NE 3.25Å
521S24.8Very low28.6Very low102 Ų102142.7 Ų142.771%0.71376%0.761SS**  trans-72.4150.7160.863.10000112.1M519M519-S521 PolarHBondContact O-N 3.24Å
522Q27.1Very low28.3Very low152 Ų152141.6 Ų141.671%0.7174%0.742SS**  173.6156.7121.3-96.6-17428.300114.5
523K30.3Very low28.6Very low179 Ų179142.6 Ų142.678%0.77875%0.749SS**  trans75.765156.3-71.9156.2-179146.30120
524R27.2Very low28.4Very low230 Ų230135.3 Ų135.387%0.86872%0.721SS**  trans-62.8131.2138.4172.2-163.4-164.7-179.37.7111.1
525L31.7Very low28.6Very low147 Ų147135.9 Ų135.977%0.7772%0.724SS**  trans-154.3112.8153.1-75-174.1000111.8
526H28.9Very low29Very low147 Ų147137 Ų13768%0.68172%0.718SS**  trans39.9127150.2-53.4-72.3000121.7
527S28.5Very low29.1Very low104 Ų104133.3 Ų133.373%0.72771%0.708SS**  72.5154.151.6-560000114.5
528P36.1Very low29.7Very low101 Ų101131.9 Ų131.966%0.65670%0.7SS**  cis-142.8-142.7-32.838.1-16000112.2
529E28.6Very low29.9Very low188 Ų188130.9 Ų130.988%0.87970%0.703SS**  trans76153.5159.7-76.4155-139.800119.7
530G28.4Very low30.2Very low69 Ų69128.3 Ų128.371%0.71169%0.692SS**  trans155.7-16.6177.800000119
531S28.8Very low30.5Very low93 Ų93125.3 Ų125.365%0.6569%0.688SS**  trans20.9123.4158.655.40000122.5
532E27.3Very low30.9Very low102 Ų102126.6 Ų126.648%0.47768%0.683SS.*  trans72.8138.5140.5-63.3160.2-108.300118.7K276K276-E532 HydrophobicContact CB-CG 4.18Å; K276-E532 HydrophobicContact CD-CG 3.93Å; K276-E532 WeakPolarHBondContact CD-OE1 3.12Å; K276-E532 WeakPolarHBondContact CD-OE2 3.44Å; K276-E532 WeakPolarHBondContact CE-OE1 3.2Å; K276-E532 WeakPolarHBondContact CE-OE2 3.31Å; K276-E532 HydrophobicContact CG-CG 4.09Å; K276-E532 IonicContact NZ-OE1 2.68Å; K276-E532 PolarHBondContact NZ-OE1 3.02Å; K276-E532 IonicContact NZ-OE2 2.98Å; K276-E532 PolarHBondContact NZ-OE2 3.06Å
533T30.4Very low31.2Very low127 Ų127127 Ų12778%0.77968%0.682SS**  -167170.171.330.50000113N277N277-T533 VanDerWaalsContact OD1-C 3.23Å; N277-T533 PolarHBondContact OD1-O 3.49Å
534S27.7Very low31.4Very low34 Ų34125 Ų12524%0.23868%0.68CS.*  trans-131.1159.5-171.541.30000114.1N277 A278 P279N277-S534 VanDerWaalsContact C-CB 3.41Å; N277-S534 WeakPolarHBondContact OD1-CB 3.46Å; A278-S534 VanDerWaalsContact C-OG 3.25Å; A278-S534 VanDerWaalsContact CA-OG 3.29Å; A278-S534 WeakPolarHBondContact CA-OG 3.44Å; A278-S534 PolarHBondContact N-OG 3.39Å; P279-S534 WeakPolarHBondContact CD-OG 3.36Å
535L32.2Very low31.8Very low152 Ų152123.3 Ų123.380%0.79668%0.679SS**  trans-104.1130.7169.6-74.2157.2000108.3
536V32.5Very low31.9Very low88 Ų88124.2 Ų124.253%0.53368%0.679SS.*  70.3124.463.3170.30000109.3P279P279-V536 HydrophobicContact CG-CB 4.48Å; P279-V536 HydrophobicContact CG-CG2 3.74Å; P279-V536 VanDerWaalsContact CG-N 3.26Å
537N33.9Very low32.4Very low130 Ų130124.2 Ų124.270%0.69568%0.683SS**  cis-152.9-154.69.5-130.8-14.4000107.2
538P35.8Very low32.7Very low111 Ų111127.2 Ų127.272%0.72168%0.683SS**  cis-123.8-154.8-2.246.3-28.9000110.8
539S32Very low32.6Very low96 Ų96128.9 Ų128.967%0.67169%0.686SS**  cis-156.6142.1-3.9-162.80000111.1
540N33.1Very low32.8Very low125 Ų125130.4 Ų130.467%0.66868%0.684SS**  174.1145.8126.3-100-36.5000112.5
541Q34.9Very low33Very low154 Ų154133.8 Ų133.872%0.7269%0.685SS**  trans29.9133.7149.9-54.4-165.839.100119.7
542Q33.9Very low33.2Very low130 Ų130135.3 Ų135.361%0.60769%0.69SS**  cis-164160.219.5-129.9178.366.400111.8
543K33.7Very low33.4Very low161 Ų161135 Ų13570%0.770%0.699SS**  trans64.1105.3153.9-72.4164.9178.7152.50121.3
544N33.4Very low33.4Very low137 Ų137135.8 Ų135.873%0.73370%0.698SS**  97.8119117.5-75.7-14.1000122.7
545K36.6Very low33.6Very low193 Ų193141 Ų14184%0.83972%0.719SS**  trans67.2150.4150.4-60.8176.5-179.8-178.50118.6
546H34Very low33.6Very low166 Ų166142.6 Ų142.677%0.76972%0.716SS**  cis-172.7158.4-45.9-136.6-103.8000107.3
547L37.9Very low33.6Very low148 Ų148145 Ų14578%0.77573%0.725SS**  trans69.2162.1167.3-54.9146000116.6
548K36Very low33.4Very low166 Ų166144.1 Ų144.172%0.72273%0.725SS**  -176.5141.7-55.5-116.9-172.9179.7179.40109
549N32.6Very low33.1Very low137 Ų137144.2 Ų144.273%0.73372%0.723SS**  trans66170.4163.4-46.7-18.9000114.1
550R33.2Very low33.1Very low219 Ų219144.8 Ų144.883%0.82673%0.727SS**  cis-151.7126.8-10.7-130.3171.5175.1177.2-2.9105.4
551I33.2Very low33.1Very low141 Ų141143.6 Ų143.672%0.72373%0.728SS**  58.6132.198.7-52.3176.3000116.2
552T32.5Very low33.1Very low124 Ų124142.6 Ų142.676%0.76173%0.733SS**  trans78.9122.4158.339.80000124.3
553S32.9Very low33.2Very low96 Ų96141.4 Ų141.467%0.67173%0.73SS**  69.6112.2127.870.30000123
554N30.4Very low33.3Very low143 Ų143144.4 Ų144.477%0.76574%0.737SS**  46.6150.3120.4-59.312.2000123.4
555H31.2Very low33.5Very low144 Ų144141.3 Ų141.367%0.66774%0.738SS**  trans99.8120.9142.7-84.6-65000120.7
556Y31.8Very low33.5Very low186 Ų186141.5 Ų141.573%0.72974%0.739SS**  trans73140144.3-76.6-59.1000121.2
557N32.4Very low33.3Very low138 Ų138138.4 Ų138.474%0.73874%0.736SS**  trans74.1149.3140-70.5-0.7000119.8
558V29.9Very low33.1Very low112 Ų112136.7 Ų136.768%0.67973%0.731SS**  cis-163.4161.9-25.278.40000110.3
559T30Very low32.8Very low113 Ų113135 Ų13569%0.69373%0.73SS**  trans59.2147.4162.152.80000122.9
560S31.8Very low32.6Very low108 Ų108137.1 Ų137.176%0.75573%0.733SS**  trans70.7144.3142.549.30000120
561S33.4Very low32.3Very low99 Ų99131.9 Ų131.969%0.69273%0.73SS**  cis-172.5158.8-6.544.40000111.8
562V35.3Very low32.1Very low133 Ų133130 Ų13081%0.80673%0.729SS**  trans71.6140.6152.1160.70000115.6
563D34.5Very low31.7Very low105 Ų105129.6 Ų129.656%0.56173%0.731SS**  cis-146.5169.16.6-143.1-19.7000114.7
564R36.4Very low31.6Very low224 Ų224136.9 Ų136.985%0.84574%0.743SS**  trans33.8128.9153.6-75.9150.1-143.6-1534.7122
565G37.4Very low31.5Very low72 Ų72136 Ų13674%0.74274%0.744SS**  trans-155.7-27.817200000121.4
566K36.5Very low31.5Very low197 Ų197137.2 Ų137.286%0.85775%0.753SS**  trans66.3122.9-171.3-57177.2-179.5178.10113.6
567S29.3Very low31.3Very low102 Ų102133.3 Ų133.371%0.71375%0.753SS**  64.9128.256.8840000112.4
568T34.3Very low31.5Very low111 Ų111136 Ų13668%0.68176%0.758SS**  cis-161.7141.432.643.60000114.7
569N31.1Very low31.6Very low131 Ų131138 Ų13870%0.70176%0.76SS**  64.4140.2121.8-58.6-7.2000127.3
570F27.5Very low31.6Very low181 Ų181140.1 Ų140.179%0.79476%0.762SS**  trans62.6109.2134.5-71.2-50.9000125.1
571S27Very low31.5Very low109 Ų109141.1 Ų141.176%0.76276%0.764SS**  85.7170113.582.20000122.4
572S29.2Very low31.2Very low101 Ų101145.7 Ų145.771%0.70677%0.771SS**  trans71.5101.6168.4-145.90000116.2
573C23.9Very low31.1Very low116 Ų116150.9 Ų150.978%0.78478%0.776SS**  70.3104.864.7-60.80000115.2
574R31.3Very low30.7Very low249 Ų249153.9 Ų153.994%0.9478%0.781SS**  trans-160.6133.8130.8-115.4169.8-176.9176.90.6113.4
575T26.7Very low30.5Very low126 Ų126155.1 Ų155.177%0.77379%0.786SS**  trans-80.4163165.841.90000111
576I33Very low30Very low169 Ų169157.6 Ų157.687%0.86779%0.787SS**  trans-168.9146.9132.7-97.2150.4000108.6
577S27.6Very low29.7Very low104 Ų104153.4 Ų153.473%0.72778%0.782SS**  trans-113.3158.7-17653.50000112.8
578K34.8Very low30Very low194 Ų194156.6 Ų156.684%0.84378%0.783SS**  trans-173.5111.4150.2-99.5152.3-174.8-177.40106.7
579Q33Very low29.7Very low153 Ų153158.3 Ų158.372%0.71578%0.783SS**  85.7108.756.7-169.1174.815.400112.7
580E29Very low29.8Very low158 Ų158158 Ų15874%0.73879%0.792SS**  trans45.6136.9147.4-58174.7110.300119.8
581T30.2Very low29.8Very low130 Ų130154.4 Ų154.480%0.79879%0.785SS**  -166.1145.977.9-62.90000112
582K28.1Very low30Very low194 Ų194157.7 Ų157.784%0.84379%0.793SS**  trans-78.8140.8174.9-60.7166.7-176.6165.10111.7
583R32.2Very low30Very low242 Ų242160.3 Ų160.391%0.91380%0.798SS**  trans-138.6121.7153.4-72.7-168176.6-179.2-0.6111
584Y25.8Very low30.4Very low168 Ų168160 Ų16066%0.65980%0.795SS**  trans-86.4153.6165.5-97.2-114.9000109.6K49 T586K49-Y584 PolarHBondContact NZ-OH 3.43Å; Y584-T586 HydrophobicContact CD1-CG2 4.37Å
585R33.3Very low30.4Very low250 Ų250154.8 Ų154.894%0.94379%0.79SS**  trans-141.3137150.5-100.5-170.2172.6-175.3-2.9109.5
586T26.7Very low30.4Very low124 Ų124155.5 Ų155.576%0.76179%0.789SS**  trans-134.3126.2-177.842.60000109.4Y584Y584-T586 HydrophobicContact CD1-CG2 4.37Å
587S30.5Very low30.2Very low109 Ų109151.8 Ų151.876%0.76278%0.778SS**  trans-177.5144.4172.651.30000108.1
588K34.1Very low30.2Very low170 Ų170156 Ų15674%0.73978%0.784SS**  cis-157.2131.1-10.3-110.1179.6175.7-100.50104.2
589E29.7Very low29.7Very low146 Ų146152.4 Ų152.468%0.68278%0.78SS**  66.695.686.8-170.5178-129.500112.4
590S31.6Very low29.4Very low126 Ų126153.4 Ų153.488%0.88179%0.789SS**  trans-154.199.7164.3-85.30000108.1
591T27.9Very low29.3Very low104 Ų104153 Ų15364%0.63879%0.792SS**  trans-105.3133.1-171-51.80000110.9L593T591-L593 HydrophobicContact CG2-CD1 4.29Å; T591-L593 HydrophobicContact CG2-CG 4.04Å
592L31Very low29Very low178 Ų178154.6 Ų154.693%0.93280%0.795SS**  trans-137.7141.7150.5-73.3-180000108.2
593L28.9Very low28.8Very low156 Ų156152 Ų15282%0.81779%0.789SS**  trans-117.9162.4-168.9-83.6171.4000111.9T591T591-L593 HydrophobicContact CG2-CD1 4.29Å; T591-L593 HydrophobicContact CG2-CG 4.04Å
594P32.2Very low28.3Very low110 Ų110145.6 Ų145.671%0.71478%0.782SS**  trans-95-178-163.639.5-38.3000114
595V31Very low28.2Very low139 Ų139142.8 Ų142.884%0.84278%0.781SS**  trans-119.7140.3166.6-179.20000110.1
596N27.4Very low27.7Very low142 Ų142136.4 Ų136.476%0.75977%0.771SS**  trans-56.2168-177.4-40.2-42.3000113.2
597S29Very low27.6Very low90 Ų90138.4 Ų138.463%0.62978%0.776SS**  cis-156.6-177.318.6-310000109
598F27.1Very low27.4Very low193 Ų193141 Ų14185%0.84678%0.776SS**  cis-148.5163.5-0.7-94.3-58000108
599P25.6Very low26.9Very low118 Ų118144.3 Ų144.377%0.76678%0.783SS**  trans-91142.8172.235.3-31.1000113
600L26.9Very low26.8Very low174 Ų174144.7 Ų144.791%0.91179%0.79SS**  trans-127.8141.6167.3-80.6173.6000111.4
601L26.1Very low26.6Very low150 Ų150144.7 Ų144.779%0.78578%0.779SS**  trans-60.1140.5-163.4-68.4131.1000116.2I603L601-I603 VanDerWaalsContact C-N 3.34Å; L601-I603 HydrophobicContact CB-CG1 4.15Å; L601-I603 PolarHBondContact O-N 3.23Å
602D24.3Very low26.6Very low164 Ų164147.2 Ų147.288%0.87779%0.789SS**  trans-65.684.7159.5-81.4-49.1000110.9S604D602-S604 VanDerWaalsContact C-N 3.32Å; D602-S604 PolarHBondContact O-N 2.99Å
603I22.9Very low26.5Very low140 Ų140146 Ų14672%0.71878%0.782SS**  trans-77.283.7175.7-49.8-176000110.2L601 V605L601-I603 VanDerWaalsContact C-N 3.34Å; L601-I603 HydrophobicContact CB-CG1 4.15Å; L601-I603 PolarHBondContact O-N 3.23Å; I603-V605 HydrophobicContact CG2-CG2 3.74Å; I603-V605 PolarHBondContact O-N 2.95Å; I603-V605 VanDerWaalsContact O-N 3.07Å
604S23.2Very low26.7Very low107 Ų107143.6 Ų143.675%0.74878%0.776SS**  trans-78.183173.840.30000111.6D602 T606D602-S604 VanDerWaalsContact C-N 3.32Å; D602-S604 PolarHBondContact O-N 2.99Å; S604-T606 PolarHBondContact O-N 3.12Å
605V22.7Very low26.5Very low108 Ų108148 Ų14866%0.65579%0.787SS**  trans-72.595.1177.5-171.60000111.3I603 L607I603-V605 HydrophobicContact CG2-CG2 3.74Å; I603-V605 PolarHBondContact O-N 2.95Å; I603-V605 VanDerWaalsContact O-N 3.07Å; V605-L607 HydrophobicContact CG1-CD2 4.24Å; V605-L607 HydrophobicContact CG1-CG 4.21Å; V605-L607 PolarHBondContact O-N 3.27Å
606T22.6Very low26.4Very low117 Ų117146.3 Ų146.372%0.71878%0.78SS**  trans-75.3100.4163.348.60000110.1S604 E608S604-T606 PolarHBondContact O-N 3.12Å; T606-E608 VanDerWaalsContact C-N 3.26Å; T606-E608 PolarHBondContact O-N 2.68Å
607L25.3Very low26.5Very low166 Ų166144.2 Ų144.287%0.86978%0.776SS**  trans-72.983.7166.4-72.9176.4000110.1V605V605-L607 HydrophobicContact CG1-CD2 4.24Å; V605-L607 HydrophobicContact CG1-CG 4.21Å; V605-L607 PolarHBondContact O-N 3.27Å
608E25.7Very low26.7Very low163 Ų163149 Ų14976%0.76279%0.789SS**  trans-63.7155.2160.8-71.9-163113.500110.9T606 L610T606-E608 VanDerWaalsContact C-N 3.26Å; T606-E608 PolarHBondContact O-N 2.68Å; E608-L610 PolarHBondContact O-N 2.93Å
609R24Very low27Very low239 Ų239145.7 Ų145.790%0.90278%0.784SS**  trans-77.486.2175.5-77.7175.9161.6167.3-8.4110.3N611R609-N611 PolarHBondContact O-N 3.39Å
610L28.3Very low27.2Very low155 Ų155147.4 Ų147.481%0.81279%0.787SS**  trans-72.882.2160.9-72.5172.8000109.8E608E608-L610 PolarHBondContact O-N 2.93Å
611N26.4Very low27.6Very low125 Ų125145 Ų14567%0.66878%0.784SS**  trans-69.1170.2141.2-68.43.5000108.4R609R609-N611 PolarHBondContact O-N 3.39Å
612D28.5Very low27.8Very low157 Ų157145.4 Ų145.484%0.8479%0.787SS**  trans71.669.7167.5-48-18.5000116.5
613I28.3Very low28.1Very low154 Ų154142.8 Ų142.879%0.7978%0.782SS**  trans-123.3135.6150-66.8-176.1000106.1
614P32.6Very low28.5Very low105 Ų105141.2 Ų141.268%0.68278%0.783SS**  trans-84.1161.7-138.830.8-37.9000116.6C616P614-C616 VanDerWaalsContact C-N 3.34Å; P614-C616 PolarHBondContact O-N 3.14Å
615E28.2Very low28.7Very low201 Ų201143.1 Ų143.194%0.93978%0.784SS**  trans-63.289.1163.1-68.5-175.7124.100110.6S617E615-S617 VanDerWaalsContact C-N 3.35Å; E615-S617 PolarHBondContact O-N 2.99Å
616C29.1Very low29Very low105 Ų105144.7 Ų144.771%0.70979%0.787SS**  trans-72.691.6164.1-76.90000109.4P614 H618P614-C616 VanDerWaalsContact C-N 3.34Å; P614-C616 PolarHBondContact O-N 3.14Å; C616-H618 PolarHBondContact O-N 3.09Å
617S29.9Very low29.2Very low97 Ų97145.7 Ų145.768%0.67879%0.788SS**  trans-60.5114.7168.956.70000109.7E615 T619E615-S617 VanDerWaalsContact C-N 3.35Å; E615-S617 PolarHBondContact O-N 2.99Å; S617-T619 PolarHBondContact O-N 2.77Å
618H32.2Very low29.3Very low192 Ų192144.5 Ų144.589%0.88978%0.781SS**  trans-66.897.4173.1-73.2-76.1000110.1C616C616-H618 PolarHBondContact O-N 3.09Å
619T33.6Very low29.2Very low122 Ų122141.9 Ų141.975%0.74878%0.781SS**  trans-89.2137.3159.150.30000108.9S617S617-T619 PolarHBondContact O-N 2.77Å
620D31.1Very low29.4Very low155 Ų155135.3 Ų135.383%0.82977%0.771SS**  trans-60.6140.1-178.1-46.9-88000113
621S34.2Very low29.4Very low122 Ų122134.1 Ų134.185%0.85377%0.771SS**  trans-167.4130.9148.2-79.90000109.8
622D31.1Very low29.7Very low159 Ų159134 Ų13485%0.8578%0.779SS**  trans-65.8152.8174.3-61.1-81.4000112.6
623S30.1Very low30Very low109 Ų109130.9 Ų130.976%0.76277%0.77SS**  143.3160121.966.50000114.9
624S31.2Very low30.2Very low107 Ų107132.7 Ų132.775%0.74878%0.776SS**  trans67.9115.5170.470.80000117.8
625I27Very low30Very low148 Ų148133 Ų13376%0.75978%0.778SS**  trans-77.3131.4168.4-64.7161.8000108.6
626I29Very low30.3Very low140 Ų140129.3 Ų129.372%0.71878%0.775SS**  trans-114.699.3161.4-56.8-178.3000108.2I628I626-I628 HydrophobicContact CG2-CD1 4.34Å; I626-I628 HydrophobicContact CG2-CG1 3.89Å; I626-I628 PolarHBondContact O-N 3.3Å
627N26.7Very low30.5Very low139 Ų139134.2 Ų134.274%0.74378%0.78SS**  trans-75.2115.9168-86.7-15.4000109.1
628I28.7Very low30.7Very low140 Ų140137.6 Ų137.672%0.71879%0.786SS**  trans-10779165.5-50-176.2000108.6I626I626-I628 HydrophobicContact CG2-CD1 4.34Å; I626-I628 HydrophobicContact CG2-CG1 3.89Å; I626-I628 PolarHBondContact O-N 3.3Å
629S24.1Very low30.8Very low109 Ų109135.2 Ų135.276%0.76278%0.779SS**  trans-73.3120.7161.8-61.20000108
630S28.2Very low30.8Very low100 Ų100133.3 Ų133.370%0.69978%0.776SS**  trans-13986.4176.7-72.40000110.3S632S630-S632 PolarHBondContact O-N 3.25Å
631T28Very low31.1Very low130 Ų130134.8 Ų134.880%0.79878%0.778SS**  trans-72.2102.8172.246.10000110.2S633T631-S633 VanDerWaalsContact C-N 3.26Å; T631-S633 PolarHBondContact O-N 2.98Å; T631-S633 VanDerWaalsContact O-N 3.16Å
632S32.1Very low31Very low122 Ų122137.7 Ų137.785%0.85377%0.77SS**  trans-85.865.2168.961.70000110.9S630 E634S630-S632 PolarHBondContact O-N 3.25Å; S632-E634 PolarHBondContact O-N 2.85Å
633S34.6Very low31.1Very low93 Ų93138.9 Ų138.965%0.6576%0.763SS**  trans-87.594168.555.70000109.3T631T631-S633 VanDerWaalsContact C-N 3.26Å; T631-S633 PolarHBondContact O-N 2.98Å; T631-S633 VanDerWaalsContact O-N 3.16Å
634E32.4Very low31.2Very low192 Ų192139.5 Ų139.590%0.89776%0.762SS**PPolyproline II helixtrans-68133.5170.2-68.7-169121.500110.1S632S632-E634 PolarHBondContact O-N 2.85Å
635C29Very low31.3Very low110 Ų110139 Ų13974%0.74376%0.758SS**PPolyproline II helixtrans-79.2126.3-168.3-54.80000112
636S33.7Very low31.7Very low125 Ų125137 Ų13787%0.87475%0.75SS**PPolyproline II helixtrans-67.7133.2156.550.60000109.4
637Y34Very low32.1Very low207 Ų207138.8 Ų138.881%0.81275%0.752SS**  trans-119.2144.1179.9-122.8-76.5000110.3
638Q34.6Very low32.5Very low169 Ų169138.4 Ų138.479%0.7975%0.749SS**  trans80.3139.3166.1-57.9-164.2-37.800120.2
639D33.3Very low32.9Very low141 Ų141139.9 Ų139.975%0.75475%0.753SS**  trans75.682.5141.6-67.416000122.8
640A34.4Very low33.5Very low82 Ų82141.8 Ų141.868%0.67876%0.755SS**  106.9154.297.300000118.8
641Q36.3Very low33.9Very low186 Ų186142 Ų14287%0.86975%0.753SS**  trans69146.3175.6-52.1-167.934.800116
642R32.4Very low34.2Very low184 Ų184144.3 Ų144.369%0.69476%0.755SS**  cis-173141.6-37.5-122.7-165.6174.3-158.60.4106.1
643W34.2Very low34.4Very low184 Ų184143.6 Ų143.670%0.69775%0.751SS**  trans69.7114.6149-68.620.8000117.3
644T32.1Very low34.6Very low122 Ų122150.3 Ų150.375%0.74876%0.761SS**  73.6139.3106.972.30000115.2
645S32.8Very low34.8Very low95 Ų95150 Ų15066%0.66476%0.757SS**  cis-162.9178.714-147.90000112.9
646D34.5Very low35.1Very low108 Ų108151.6 Ų151.658%0.57875%0.754SS**  trans78.7124.8142.5-8437.7000122.7
647K37.4Very low35.1Very low176 Ų176153.3 Ų153.377%0.76575%0.748SS**  trans77.4144.3143.4-63.4168.6179129.80117.7
648L36.2Very low35.2Very low131 Ų131152.7 Ų152.769%0.68676%0.755SS**  cis-150.21521.1-154.966.5000112
649E36.2Very low35.2Very low171 Ų171153.7 Ų153.780%0.79976%0.757SS**  trans39.1137.2153.5-75.5168.5142.100124.3
650N36Very low35.4Very low149 Ų149154.7 Ų154.780%0.79776%0.762SS**  trans-139.1135.6157.9169.323.2000106.8
651P36.7Very low35.4Very low104 Ų104153.7 Ų153.768%0.67576%0.759SS**  trans-147.3141.7133.934-16.7000117.3
652E35Very low35.3Very low180 Ų180155.1 Ų155.184%0.84176%0.763SS**  trans47132.5137.8-55.7-167148.100123.2
653S37.3Very low35.3Very low107 Ų107152 Ų15275%0.74877%0.769SS**  -173.9140.6119.540.90000115.6
654R38.3Very low35.3Very low233 Ų233151.4 Ų151.488%0.87978%0.779SS**  trans62.2130.7160.6-64.4167.8174158.2-2.3118.1
655K35.9Very low35.3Very low186 Ų186150 Ų15081%0.80977%0.774SS**  cis90.515127.2-66.4-166173.7-175.30116.5
656Q35.5Very low35.4Very low144 Ų144153.1 Ų153.167%0.67378%0.778SS**  trans67.9115-176.3-89.850.755.500113.9
657E33.4Very low35.5Very low161 Ų161154 Ų15475%0.75278%0.782SS**  77.7118.460.7-74.2-173118.900114.9
658M36.5Very low35.3Very low193 Ų193152.3 Ų152.395%0.95178%0.777SS**  -172.6163.4116.6-100175.3-176.500112.1
659K35.7Very low35.3Very low191 Ų191156.2 Ų156.283%0.8379%0.789SS**  trans-108.4172.3174.5-76.7-179.6176.1176.60110.5
660D35.7Very low35.3Very low162 Ų162156.5 Ų156.587%0.86679%0.787SS**  trans121.7139.7159.4-62.8-12.6000112.5
661G35.8Very low35.2Very low60 Ų60160.9 Ų160.962%0.61979%0.793SS**  cis-180-175.9-4.800000112.8
662F34.3Very low35.1Very low217 Ų217160.2 Ų160.295%0.95279%0.79SS**  trans72.2114.8167.8-60.7-80.5000120.4
663S32.2Very low35.2Very low117 Ų117160.1 Ų160.182%0.81879%0.79SS**  trans-86.4167.8165.2-30.40000112
664L35Very low35.1Very low172 Ų172158.1 Ų158.190%0.90179%0.786SS**  trans-156166.3139.2-109.3169.6000110.8
665S30.9Very low35Very low92 Ų92154.3 Ų154.364%0.64378%0.783SS**  trans-131.5-178.1-16159.50000113.8
666H34.6Very low34.9Very low161 Ų161151.2 Ų151.275%0.74578%0.78SS**  trans107.7138.5176-66.483000114.6
667D36.9Very low35.1Very low126 Ų126152.1 Ų152.167%0.67479%0.789SS**  cis-157.9172.9-20.7-132.18.6000114.8
668H33.2Very low35.3Very low142 Ų142148.8 Ų148.866%0.65778%0.783SS**  trans-20.9141.5165.1-74.5-94.2000119.1
669F36.6Very low35.4Very low213 Ų213144.7 Ų144.793%0.93477%0.765SS**  -158.1150.4105.6-112.7-76.7000112.8
670K35.5Very low35.7Very low177 Ų177143.4 Ų143.477%0.7776%0.759SS**  trans-109.6148.2179.7-66.7-177.1176.6-176.40111.8
671R33.5Very low35.8Very low241 Ų241142.7 Ų142.791%0.90975%0.751SS**  trans157.4156141.7-91.1167.1175.2-175.4-1.2110.3
672S36.2Very low35.9Very low89 Ų89146 Ų14662%0.62275%0.754SS**  cis-168-160.9-25.855.20000109.4
673E37.2Very low35.8Very low179 Ų179144.5 Ų144.584%0.83675%0.747SS**  trans-40.5159179.4-56.199.917000115.8
674G33.5Very low36.1Very low65 Ų65146.9 Ų146.967%0.6775%0.75SS**  cis163.4-16114.800000109.4
675D36.7Very low35.9Very low152 Ų152145.7 Ų145.781%0.81374%0.74SS**  trans55.3111.8172.8-59.5-32.3000117.3
676T33.7Very low36Very low121 Ų121147.9 Ų147.974%0.74274%0.739SS**  cis66.7114.646.791.30000115
677L39.9Very low36Very low164 Ų164147.1 Ų147.186%0.85974%0.741SS**  trans179.1122.6148.6-91.5162.9000104.4
678S37.6Very low35.7Very low91 Ų91145.5 Ų145.564%0.63674%0.739SS**  73.4124.471.5-167.20000110.8
679D39.9Very low35.9Very low107 Ų107145.9 Ų145.957%0.57274%0.742SS**  cis-166.4171.73.7-137.2-30.1000113.4
680K40.2Very low36.1Very low163 Ų163141.7 Ų141.771%0.70973%0.728SS**  trans64.7157.1154.7-65.8158.2-172.387.60118
681H38Very low36.1Very low147 Ų147139.6 Ų139.668%0.68172%0.724SS**  cis158.7138.3-32.3-111.3-67.2000106.1
682N39.5Very low36.1Very low130 Ų130138.5 Ų138.570%0.69572%0.72SS**  trans62.9124.2148.1-55-11.3000118.5
683K32.2Very low36.1Very low186 Ų186142.7 Ų142.781%0.80973%0.727SS**  cis79.87148.2-167.2-167.6178.9-175.80113.1
684L36.8Very low35.6Very low167 Ų167142.5 Ų142.587%0.87473%0.726SS**  trans-136.7127.5149.9-62.5174.1000103.7
685H31.5Very low35.5Very low147 Ų147144.8 Ų144.868%0.68173%0.729SS**  cis72.7142.423.5-149.2-93.5000115.4
686E33.6Very low34.9Very low137 Ų137147 Ų14764%0.6473%0.727SS**  trans63.7144.6-177.1-101.699.3-15200118.6
687D34.7Very low34.5Very low146 Ų146148.2 Ų148.278%0.78173%0.728SS**  trans61.1137.6143.8-62.4-15.6000122.2
688S30.2Very low33.8Very low91 Ų91146.6 Ų146.664%0.63672%0.721SS**  cis-169.6-144.1-12.748.70000107.3
689E37.3Very low33.1Very low151 Ų151149.7 Ų149.771%0.70673%0.725SS**  trans38105.6145.6-66.1-68.410100117.4
690L39.7Very low32.4Very low125 Ų125152.9 Ų152.965%0.65474%0.741SS**  cis-168.1153.833.9-85.1131.4000111.2
691I36.2Very low31.6Very low133 Ų133148.9 Ų148.968%0.68273%0.734SS**  trans52.2109.5144.9-58.4166.6000116
692R34.4Very low31Very low217 Ų217147.9 Ų147.982%0.81974%0.738SS**  cis-161.5123.927.8-166.4174.3-66.3-1770.4112.5
693K34.5Very low30.2Very low177 Ų177147.7 Ų147.777%0.7774%0.741SS**  trans25.9123.4137.6-55.8-177.8-178.3-175.80117.4
694H27.5Very low29.9Very low175 Ų175144.9 Ų144.981%0.8174%0.739SS**  53145.782.3-60.6-68.6000114.4
695P31Very low29.3Very low113 Ų113141.2 Ų141.273%0.73473%0.727SS**  cis-137.6-170.514.540.5-20.6000115.7
696Y25.2Very low29Very low200 Ų200138.7 Ų138.778%0.78473%0.726SS**  trans-27.5151.6151.6-61.7-93.2000118.6
697L24.9Very low28.6Very low145 Ų145137.9 Ų137.976%0.75973%0.731SS**  trans64127143.8-67.9164.5000120.4
698N24.3Very low28.1Very low131 Ų131137 Ų13770%0.70173%0.73SS**  trans66.3142.6145.6-61.89.9000121.1
699E24Very low27.8Very low155 Ų155136.7 Ų136.772%0.72473%0.734SS**  trans60.179.2149.4-68.2172.3-148.300119.9
700L24.6Very low27.3Very low175 Ų175135.3 Ų135.392%0.91674%0.735SS**  trans-123.299.3142.8-69.8175.7000107.4
701S24.4Very low26.6Very low79 Ų79135.8 Ų135.855%0.55274%0.738SS**  cis66.4104.741.5-50.70000114
702V23.7Very low26.2Very low126 Ų126133 Ų13376%0.76473%0.73SS**  55.898128.8-179.90000117.3
703V23.9Very low26.1Very low125 Ų125128.2 Ų128.276%0.75872%0.721SS**  trans70.8155.81311730000118.1
704V25.3Very low25.9Very low127 Ų127127 Ų12777%0.7772%0.719SS**  trans71.6137.2164.7141.30000115.1
705S25.2Very low26Very low90 Ų90125.2 Ų125.263%0.62971%0.713SS**  cis-169.3-173.2-22.6-106.70000106.8
706S24Very low25.7Very low94 Ų94128 Ų12866%0.65772%0.717SS**  trans38.7127.713963.20000119
707T25.5Very low26Very low121 Ų121123.9 Ų123.974%0.74271%0.712SS**  -155.8137.569.424.50000110.8
708V24.4Very low26Very low126 Ų126122.4 Ų122.476%0.76471%0.711SS**  53.5116107.1-173.60000111.6V710V708-V710 HydrophobicContact CG1-CG2 4.46Å
709A24.6Very low26.3Very low86 Ų86125.1 Ų125.171%0.71172%0.717SS**  -135.3151.551.200000112.1
710V25.8Very low26.4Very low121 Ų121123.9 Ų123.973%0.73372%0.719SS**  63.6117.657.6173.70000109.4V708V708-V710 HydrophobicContact CG1-CG2 4.46Å
711D25.3Very low26.7Very low135 Ų135121.1 Ų121.172%0.72271%0.714SS**  cis-155.5173.216.5-147.9-45.2000112.9
712S28.3Very low26.9Very low74 Ų74124.1 Ų124.152%0.51773%0.725SS.*  trans79116.9132.2-840000122.3
713N31.7Very low27.3Very low118 Ų118125.4 Ų125.463%0.63173%0.727SS**  82.9108.4128.9-62-30.6000118
714Q30.9Very low27.7Very low152 Ų152130.9 Ų130.971%0.7173%0.734SS**  89.3142.598.5-74.2173.849.400111.5
715I28.5Very low27.8Very low136 Ų136136.3 Ų136.370%0.69774%0.741SS**  cis-149.1163.77.9-128.6159.4000110.1
716E26.2Very low28.1Very low172 Ų172141.5 Ų141.580%0.80475%0.752SS**  trans-68.9133.9172.9-52.8166.696.700112.4
717V31Very low28.5Very low113 Ų113143 Ų14369%0.68576%0.759SS**  trans-148.7103.8139.5-173.80000110.8K719V717-K719 HydrophobicContact CG1-CD 4.44Å; V717-K719 HydrophobicContact CG1-CG 4.15Å
718P24Very low28.8Very low115 Ų115141.5 Ų141.575%0.74775%0.754SS**  trans-80.1124.1162.631.2-30.7000110.3
719K31.6Very low29.2Very low188 Ų188142.2 Ų142.282%0.81775%0.754SS**  trans-123103.4167.5-93-178.6178173.60112V717 S721V717-K719 HydrophobicContact CG1-CD 4.44Å; V717-K719 HydrophobicContact CG1-CG 4.15Å; K719-S721 PolarHBondContact O-N 3.06Å
720V26.5Very low29.6Very low129 Ų129142.8 Ų142.878%0.78276%0.758SS**  trans-70122.8169.8176.80000109.6
721S30.6Very low30.1Very low116 Ų116146 Ų14681%0.81176%0.762SS**  trans-120.2105.7161.154.30000109.6K719 N723K719-S721 PolarHBondContact O-N 3.06Å; S721-N723 PolarHBondContact O-N 3.11Å
722N28.1Very low30.5Very low143 Ų143147 Ų14777%0.76576%0.756SS**  trans-68.4124174.7-83.8-51.8000110.3
723N32.1Very low30.5Very low153 Ų153153.7 Ų153.782%0.81877%0.771SS**  trans-154.4108.4146.5-101.7-40.9000112.9S721S721-N723 PolarHBondContact O-N 3.11Å
724R31.3Very low30.6Very low240 Ų240153.2 Ų153.291%0.90678%0.777SS**  trans34.685.8157-64.5-177.9174178.5-1.6117.7K726R724-K726 PolarHBondContact O-N 3.25Å
725R28.9Very low30.8Very low240 Ų240155.6 Ų155.691%0.90679%0.785SS**PPolyproline II helixtrans-55.7130158.6-70.7176.7172.8162.2-3.7111.1
726K30.3Very low30.9Very low200 Ų200157.8 Ų157.887%0.8779%0.793SS**PPolyproline II helixtrans-94.8130.7135-79.6-174.2175-176.60106.8R724R724-K726 PolarHBondContact O-N 3.25Å
727P32.6Very low31.6Very low124 Ų124155.2 Ų155.281%0.80578%0.784SS**PPolyproline II helixtrans-76.3120.1163.1-4.422.3000108.5
728S31.7Very low31.8Very low90 Ų90158.6 Ų158.663%0.62979%0.792SS**  trans-91.7174.8161.255.30000110.1
729D32.8Very low32.7Very low142 Ų142157.8 Ų157.876%0.75978%0.78SS**  trans64.162.3156.1-43.6-44000117.2K731D729-K731 PolarHBondContact O-N 3.07Å; D729-K731 VanDerWaalsContact O-N 3.11Å
730A34.4Very low33.4Very low97 Ų97152.2 Ų152.280%0.80276%0.764SS**  trans-63.7107157.100000109.8R732A730-R732 PolarHBondContact O-N 2.95Å
731K34.9Very low34.2Very low190 Ų190152 Ų15283%0.82676%0.758SS**  trans-50.8120179.4-72.8-172.2176.1-173.20111.4D729D729-K731 PolarHBondContact O-N 3.07Å; D729-K731 VanDerWaalsContact O-N 3.11Å
732R34.3Very low34.9Very low154 Ų154152.6 Ų152.658%0.58175%0.752SS**  trans-88111.2173.3-75.2-176.7155-137.8-4.6110.2N260 A730 S734N260-R732 PolarHBondContact O-NH2 3.44Å; N260-R732 PolarHBondContact OD1-NH1 2.94Å; N260-R732 PolarHBondContact OD1-NH2 2.87Å; A730-R732 PolarHBondContact O-N 2.95Å; R732-S734 PolarHBondContact O-N 3.45Å; R732-S734 VanDerWaalsContact O-N 3.13Å
733Y28.6Very low35.5Very low216 Ų216152 Ų15285%0.84774%0.743SS**  trans-70.2101.7159.8-73.3-90.4000108.3K735Y733-K735 PolarHBondContact O-N 3.1Å
734S32.7Very low35.8Very low108 Ų108149.6 Ų149.676%0.75573%0.729SS**  trans-61.5114.816342.40000108.4R732 Q736R732-S734 PolarHBondContact O-N 3.45Å; R732-S734 VanDerWaalsContact O-N 3.13Å; S734-Q736 PolarHBondContact O-N 3.09Å
735K35.1Very low36Very low202 Ų202141.7 Ų141.788%0.87871%0.708SS**  trans-67.2100.7166.6-77.9-160.7171.6-158.30108.2Y733Y733-K735 PolarHBondContact O-N 3.1Å
736Q32.2Very low36.3Very low182 Ų182136.3 Ų136.385%0.8570%0.697SS**  trans-61.2131.9162.9-165.9157.6-2200107.4S734 E738S734-Q736 PolarHBondContact O-N 3.09Å; Q736-E738 PolarHBondContact O-N 3.37Å
737L39.8Very low36.6Very low118 Ų118136.3 Ų136.362%0.61870%0.699SS**  trans-84.397.6176-93.9144.8000107.5I739 V777L737-I739 PolarHBondContact O-N 3Å; L737-V777 HydrophobicContact CD2-CG1 4.34Å
738E36Very low36.6Very low183 Ų183133.4 Ų133.486%0.85568%0.682SS**  trans-71.3115.5170.8-160.2158.6-120.200108Q736Q736-E738 PolarHBondContact O-N 3.37Å
739I41.3Very low36.6Very low98 Ų98138.9 Ų138.950%0.50369%0.689SS.*  trans-85.7126.2172.7-61.9174.8000105.8L737 D741 F743 L744L737-I739 PolarHBondContact O-N 3Å; I739-D741 PolarHBondContact O-N 2.77Å; I739-F743 HydrophobicContact CG2-CB 3.9Å; I739-L744 HydrophobicContact CG2-CD2 4.11Å; I739-L744 HydrophobicContact CG2-CG 4.25Å
740P47.1Very low36.9Very low72 Ų72135.9 Ų135.947%0.46868%0.679SS.*  trans-59.4135.9178.2-20.931.4000110.9D742 F743P740-D742 PolarHBondContact O-N 3.29Å; P740-F743 HydrophobicContact CB-CD2 4.14Å; P740-F743 HydrophobicContact CG-CD2 4.2Å; P740-F743 HydrophobicContact CG-CE2 4.4Å; P740-F743 PolarHBondContact O-N 3.03Å
741D44.5Very low37Very low125 Ų125140.3 Ų140.367%0.66868%0.683SS**G310 helixtrans-58.3-23-175-67.3-56000113.6I739 F743 L744 T745I739-D741 PolarHBondContact O-N 2.77Å; D741-F743 PolarHBondContact O-N 2.98Å; D741-L744 CarbonylContact O-C 3.55Å; D741-L744 WeakPolarHBondContact O-CA 3.25Å; D741-L744 WeakPolarHBondContact O-CB 3.33Å; D741-L744 PolarHBondContact O-N 3.05Å; D741-T745 PolarHBondContact O-N 2.99Å; D741-T745 VanDerWaalsContact O-N 3.17Å
742D44.9Very low37.5Very low128 Ų128135.5 Ų135.568%0.68467%0.665SS**G310 helixtrans-51.5-38.4170.6-55.2-40.5000112.2P740 L744 T745P740-D742 PolarHBondContact O-N 3.29Å; D742-L744 VanDerWaalsContact C-N 3.33Å; D742-T745 WeakPolarHBondContact O-CG2 3.29Å; D742-T745 PolarHBondContact O-OG1 2.89Å
743F40.4Very low38Very low131 Ų131134.9 Ų134.958%0.57567%0.668SS**G310 helixtrans-83.6-4.4176.3-67.4-84.9000113.9I739 P740 D741I739-F743 HydrophobicContact CG2-CB 3.9Å; P740-F743 HydrophobicContact CB-CD2 4.14Å; P740-F743 HydrophobicContact CG-CD2 4.2Å; P740-F743 HydrophobicContact CG-CE2 4.4Å; P740-F743 PolarHBondContact O-N 3.03Å; D741-F743 PolarHBondContact O-N 2.98Å
744L38.5Very low39Very low102 Ų102127.4 Ų127.453%0.53465%0.652SS.*G310 helixtrans-104.4-1.8175.9-57180000112.2I739 D741 D742 L746I739-L744 HydrophobicContact CG2-CD2 4.11Å; I739-L744 HydrophobicContact CG2-CG 4.25Å; D741-L744 CarbonylContact O-C 3.55Å; D741-L744 WeakPolarHBondContact O-CA 3.25Å; D741-L744 WeakPolarHBondContact O-CB 3.33Å; D741-L744 PolarHBondContact O-N 3.05Å; D742-L744 VanDerWaalsContact C-N 3.33Å; L744-L746 PolarHBondContact O-N 3.39Å
745T35.1Very low40.2Very low74 Ų74127.7 Ų127.745%0.45465%0.645SS.*  trans-55.2129.9177.253.10000111.8D741 D742 Q747 S748D741-T745 PolarHBondContact O-N 2.99Å; D741-T745 VanDerWaalsContact O-N 3.17Å; D742-T745 WeakPolarHBondContact O-CG2 3.29Å; D742-T745 PolarHBondContact O-OG1 2.89Å; T745-Q747 PolarHBondContact O-N 2.79Å; T745-S748 WeakPolarHBondContact O-CB 3.24Å; T745-S748 PolarHBondContact O-N 3.29Å; T745-S748 PolarHBondContact O-OG 3.42Å
746L36.1Very low41.5Very low127 Ų127120.3 Ų120.367%0.66561%0.613SS**G310 helixtrans-59-25.5-168.8-79.5163000114.6L744 S748 R749L744-L746 PolarHBondContact O-N 3.39Å; L746-S748 PolarHBondContact O-N 3.01Å; L746-R749 WeakPolarHBondContact O-CB 3.33Å; L746-R749 PolarHBondContact O-N 3.23Å
747Q35.2Very low43.6Very low199 Ų199114.9 Ų114.993%0.9359%0.589SS**G310 helixtrans-68.7-15.2175.9-71.2179.6-22.800113.8T745 R749T745-Q747 PolarHBondContact O-N 2.79Å; Q747-R749 VanDerWaalsContact C-N 3.31Å
748S33.4Very low45.2Very low63 Ų63113.6 Ų113.644%0.44158%0.58SS.*G310 helixtrans-84.71.1174.669.60000114.1T745 L746 S750T745-S748 WeakPolarHBondContact O-CB 3.24Å; T745-S748 PolarHBondContact O-N 3.29Å; T745-S748 PolarHBondContact O-OG 3.42Å; L746-S748 PolarHBondContact O-N 3.01Å; S748-S750 PolarHBondContact O-N 3.47Å
749R32.1Very low47.1Very low205 Ų205108.7 Ų108.777%0.77456%0.563SS**  trans-74.751.1173.2-68.9-171.5172.6-172.71.2113.2L746 Q747L746-R749 WeakPolarHBondContact O-CB 3.33Å; L746-R749 PolarHBondContact O-N 3.23Å; Q747-R749 VanDerWaalsContact C-N 3.31Å
750S37.6Very low48.7Very low79 Ų79106.5 Ų106.555%0.55255%0.552SS**  trans-67.5135.7153.259.50000108.6S748 M752S748-S750 PolarHBondContact O-N 3.47Å; S750-M752 PolarHBondContact O-N 3.05Å
751E36.7Very low49.5Very low190 Ų190109.4 Ų109.489%0.88857%0.568SS**  trans-61110.3170.2-65-171.4130.200109.2E753E751-E753 PolarHBondContact O-N 2.93Å; E751-E753 VanDerWaalsContact O-N 3.13Å
752M46.4Very low50.1Low89 Ų89110.7 Ų110.744%0.43857%0.574SS.*  trans-75.1101175.7175.4173.548.800108.1S750 E756 I757 V768S750-M752 PolarHBondContact O-N 3.05Å; M752-E756 HydrophobicContact CG-CB 4.06Å; M752-I757 HydrophobicContact CE-CD1 3.79Å; M752-I757 HydrophobicContact CE-CG1 4.28Å; M752-I757 HydrophobicContact CG-CG1 4.35Å; M752-I757 HydrophobicContact SD-CD1 3.97Å; M752-I757 HydrophobicContact SD-CG1 3.77Å; M752-V768 HydrophobicContact SD-CG1 3.89Å
753E44.7Very low51.3Low141 Ų141107.1 Ų107.166%0.65956%0.557SS**  trans-56146.9177.2-64.3-170.3150.300110.7E751 D755 E756E751-E753 PolarHBondContact O-N 2.93Å; E751-E753 VanDerWaalsContact O-N 3.13Å; E753-D755 PolarHBondContact O-N 2.86Å; E753-D755 VanDerWaalsContact O-N 3.13Å; E753-E756 HydrophobicContact CB-CG 4.24Å; E753-E756 WeakPolarHBondContact O-CB 3.44Å; E753-E756 PolarHBondContact O-N 3.1Å
754A48.8Very low53Low60 Ų60101.4 Ų101.450%0.49654%0.535SS..G310 helixtrans-61.7-27.7-17400000113T2 E756 I757T2-A754 HydrophobicContact CG2-CB 3.62Å; T2-A754 WeakPolarHBondContact CG2-O 3.31Å; A754-E756 VanDerWaalsContact C-N 3.28Å; A754-E756 PolarHBondContact O-N 3.19Å; A754-I757 PolarHBondContact O-N 3.21Å
755D58.3Low54.7Low114 Ų11497 Ų9761%0.6151%0.512SS*.G310 helixtrans-74.2-13176.6-77.2-9.3000113.4E753 I757E753-D755 PolarHBondContact O-N 2.86Å; E753-D755 VanDerWaalsContact O-N 3.13Å; D755-I757 VanDerWaalsContact C-N 3.3Å
756E63.3Low56.7Low46 Ų4696.9 Ų96.922%0.21551%0.507CS..G310 helixtrans-74-20.6172.2-58.9-159.8124.300113M752 E753 A754 V768 K769M752-E756 HydrophobicContact CG-CB 4.06Å; E753-E756 HydrophobicContact CB-CG 4.24Å; E753-E756 WeakPolarHBondContact O-CB 3.44Å; E753-E756 PolarHBondContact O-N 3.1Å; A754-E756 VanDerWaalsContact C-N 3.28Å; A754-E756 PolarHBondContact O-N 3.19Å; E756-V768 CarbonylContact O-C 3.52Å; E756-V768 WeakPolarHBondContact O-CA 3.46Å; E756-K769 HydrophobicContact CB-CG 4.13Å; E756-K769 HydrophobicContact CG-CG 4.32Å; E756-K769 PolarHBondContact O-N 3.47Å; E756-K769 WeakPolarHBondContact OE1-CE 3.31Å; E756-K769 WeakPolarHBondContact OE1-CG 3.47Å; E756-K769 IonicContact OE1-NZ 2.75Å; E756-K769 PolarHBondContact OE1-NZ 3.29Å; E756-K769 WeakPolarHBondContact OE2-CE 3.28Å; E756-K769 IonicContact OE2-NZ 3.21Å; E756-K769 PolarHBondContact OE2-NZ 3.46Å
757I74.4Confident58.8Low68 Ų6893 Ų9335%0.34949%0.486SS..EExtended strand (participates in β ladder)trans-98113.3174.7-50.4179.8000109.8M752 A754 D755 I766 F767M752-I757 HydrophobicContact CE-CD1 3.79Å; M752-I757 HydrophobicContact CE-CG1 4.28Å; M752-I757 HydrophobicContact CG-CG1 4.35Å; M752-I757 HydrophobicContact SD-CD1 3.97Å; M752-I757 HydrophobicContact SD-CG1 3.77Å; A754-I757 PolarHBondContact O-N 3.21Å; D755-I757 VanDerWaalsContact C-N 3.3Å; I757-I766 HydrophobicContact CG2-CG2 4.13Å; I757-F767 WeakPolarHBondContact CA-O 3.48Å
758Q74.3Confident61Low91 Ų9185 Ų8543%0.42545%0.45SS..EExtended strand (participates in β ladder)trans-114.4151.1174.6-63.3170.233.400110.4I766 F767 N770Q758-I766 CarbonylContact O-C 3.6Å; Q758-I766 WeakPolarHBondContact O-CA 3.4Å; Q758-F767 HydrophobicContact CB-CB 4.31Å; Q758-F767 PolarHBondContact N-O 2.88Å; Q758-F767 PolarHBondContact O-N 3.01Å; Q758-N770 PolarHBondContact NE2-OD1 2.71Å
759V76.2Confident63.3Low81 Ų8187 Ų8749%0.49145%0.451SS..EExtended strand (participates in β ladder)trans-128.9118.9172.6-174.20000107.7V761 I766V759-V761 PolarHBondContact O-N 3.2Å; V759-I766 HydrophobicContact CG2-CG1 4.26Å
760D73.9Confident65.5Low52 Ų5282.5 Ų82.528%0.27844%0.442SS..  trans-70.1112.8171.2170.220.2000109.1L762 T763 G764 E765 F767D760-L762 PolarHBondContact O-N 3.36Å; D760-L762 WeakPolarHBondContact OD1-CB 3.45Å; D760-L762 PolarHBondContact OD1-N 3.34Å; D760-T763 VanDerWaalsContact CG-OG1 3.31Å; D760-T763 PolarHBondContact O-N 2.68Å; D760-T763 VanDerWaalsContact OD2-CB 3.31Å; D760-T763 WeakPolarHBondContact OD2-CB 3.43Å; D760-T763 WeakPolarHBondContact OD2-CG2 3.47Å; D760-T763 PolarHBondContact OD2-N 3.26Å; D760-T763 PolarHBondContact OD2-OG1 3.27Å; D760-G764 WeakPolarHBondContact O-CA 3.5Å; D760-G764 PolarHBondContact O-N 3.03Å; D760-E765 PolarHBondContact N-O 3.1Å; D760-F767 HydrophobicContact CB-CE2 3.89Å
761V65.7Low67.3Low133 Ų13382.7 Ų82.781%0.80644%0.436SS*.THydrogen-bonded Turntrans-64.4-20.2-178.4-175.50000112.4V759V759-V761 PolarHBondContact O-N 3.2Å
762L55.8Low69.4Low152 Ų15274.6 Ų74.680%0.79640%0.4SS*.THydrogen-bonded Turntrans-85.3-36.2-179.2-59.7178000113.3D760D760-L762 PolarHBondContact O-N 3.36Å; D760-L762 WeakPolarHBondContact OD1-CB 3.45Å; D760-L762 PolarHBondContact OD1-N 3.34Å
763T70Confident70.8Confident53 Ų5372.8 Ų72.833%0.32539%0.392SS..THydrogen-bonded Turntrans-106.3-16.5-179.960.90000113.9D760 E765 F785D760-T763 VanDerWaalsContact CG-OG1 3.31Å; D760-T763 PolarHBondContact O-N 2.68Å; D760-T763 VanDerWaalsContact OD2-CB 3.31Å; D760-T763 WeakPolarHBondContact OD2-CB 3.43Å; D760-T763 WeakPolarHBondContact OD2-CG2 3.47Å; D760-T763 PolarHBondContact OD2-N 3.26Å; D760-T763 PolarHBondContact OD2-OG1 3.27Å; T763-E765 PolarHBondContact O-N 2.95Å; T763-E765 WeakPolarHBondContact OG1-CB 3.27Å; T763-E765 PolarHBondContact OG1-N 3.18Å; T763-E765 VanDerWaalsContact OG1-N 3.16Å; T763-F785 WeakPolarHBondContact O-CD2 3.02Å
764G76.6Confident72.3Confident11 Ų1170.5 Ų70.511%0.11338%0.377CS..  trans68.27.3-166.400000114.1D760 I766D760-G764 WeakPolarHBondContact O-CA 3.5Å; D760-G764 PolarHBondContact O-N 3.03Å; G764-I766 PolarHBondContact O-N 2.83Å
765E73.2Confident73.6Confident9 Ų971.3 Ų71.34%0.04238%0.379CS..  trans-69.2121.8-178.6-163.8161.5140.900109.3D760 T763 F767 P772 R774 R782D760-E765 PolarHBondContact N-O 3.1Å; T763-E765 PolarHBondContact O-N 2.95Å; T763-E765 WeakPolarHBondContact OG1-CB 3.27Å; T763-E765 PolarHBondContact OG1-N 3.18Å; T763-E765 VanDerWaalsContact OG1-N 3.16Å; E765-F767 HydrophobicContact CB-CE2 3.88Å; E765-F767 HydrophobicContact CB-CZ 4.3Å; E765-F767 HydrophobicContact CG-CE2 4.07Å; E765-F767 HydrophobicContact CG-CZ 4.15Å; E765-F767 WeakPolarHBondContact O-CD2 3.41Å; E765-F767 VanDerWaalsContact O-CE2 3.24Å; E765-F767 WeakPolarHBondContact O-CE2 3.39Å; E765-P772 HydrophobicContact CG-CB 4.05Å; E765-P772 WeakPolarHBondContact OE1-CB 3.29Å; E765-R774 IonicContact OE1-CZ 2.67Å; E765-R774 IonicContact OE1-NE 3.16Å; E765-R774 PolarHBondContact OE1-NE 2.76Å; E765-R774 IonicContact OE1-NH2 3.16Å; E765-R774 PolarHBondContact OE1-NH2 2.9Å; E765-R774 IonicContact OE2-NE 2.79Å; E765-R774 PolarHBondContact OE2-NE 2.84Å; E765-R774 IonicContact OE2-NH2 3.4Å; E765-R782 IonicContact OE1-NH2 3.69Å; E765-R782 WeakPolarHBondContact OE2-CG 3.38Å; E765-R782 IonicContact OE2-CZ 3.2Å; E765-R782 IonicContact OE2-NE 2.71Å; E765-R782 PolarHBondContact OE2-NE 2.95Å; E765-R782 IonicContact OE2-NH2 3.65Å; E765-R782 PolarHBondContact OE2-NH2 3.27Å
766I78.4Confident74.4Confident71 Ų7169.4 Ų69.436%0.36437%0.369SS..EExtended strand (participates in β ladder)trans-82.8137.2175.9-54.5176000107.9I757 Q758 V759 G764 P772 L773I757-I766 HydrophobicContact CG2-CG2 4.13Å; Q758-I766 CarbonylContact O-C 3.6Å; Q758-I766 WeakPolarHBondContact O-CA 3.4Å; V759-I766 HydrophobicContact CG2-CG1 4.26Å; G764-I766 PolarHBondContact O-N 2.83Å; I766-P772 CarbonylContact O-C 3.53Å; I766-P772 WeakPolarHBondContact O-CA 3.17Å; I766-L773 HydrophobicContact CB-CB 4.24Å; I766-L773 HydrophobicContact CB-CD2 4.24Å; I766-L773 HydrophobicContact CD1-CD2 4.37Å; I766-L773 HydrophobicContact CG2-CD2 4.32Å; I766-L773 WeakPolarHBondContact O-CB 3.47Å; I766-L773 PolarHBondContact O-N 2.76Å
767F80.6Confident74.7Confident47 Ų4769.9 Ų69.921%0.20638%0.375CS..EExtended strand (participates in β ladder)trans-121.6141.9175.6-61-104.8000109.5I757 Q758 D760 E765 N770 I771 P772I757-F767 WeakPolarHBondContact CA-O 3.48Å; Q758-F767 HydrophobicContact CB-CB 4.31Å; Q758-F767 PolarHBondContact N-O 2.88Å; Q758-F767 PolarHBondContact O-N 3.01Å; D760-F767 HydrophobicContact CB-CE2 3.89Å; E765-F767 HydrophobicContact CB-CE2 3.88Å; E765-F767 HydrophobicContact CB-CZ 4.3Å; E765-F767 HydrophobicContact CG-CE2 4.07Å; E765-F767 HydrophobicContact CG-CZ 4.15Å; E765-F767 WeakPolarHBondContact O-CD2 3.41Å; E765-F767 VanDerWaalsContact O-CE2 3.24Å; E765-F767 WeakPolarHBondContact O-CE2 3.39Å; F767-N770 WeakPolarHBondContact CD1-O 3.49Å; F767-I771 CarbonylContact C-O 3.57Å; F767-I771 VanDerWaalsContact CA-O 3.26Å; F767-I771 WeakPolarHBondContact CA-O 3.33Å; F767-P772 HydrophobicContact CD1-CB 3.78Å; F767-P772 HydrophobicContact CD1-CG 4.3Å; F767-P772 HydrophobicContact CE1-CB 3.66Å; F767-P772 HydrophobicContact CE1-CG 4.08Å; F767-P772 HydrophobicContact CG-CB 4.48Å; F767-P772 HydrophobicContact CZ-CB 4.27Å
768V80.7Confident74Confident30 Ų3073.1 Ų73.118%0.18240%0.398CS..EExtended strand (participates in β ladder)trans-123.8122.1173.2179.10000106.9M752 E756 N770 I771 L773 L776M752-V768 HydrophobicContact SD-CG1 3.89Å; E756-V768 CarbonylContact O-C 3.52Å; E756-V768 WeakPolarHBondContact O-CA 3.46Å; V768-N770 PolarHBondContact O-N 3.02Å; V768-I771 PolarHBondContact N-O 3.47Å; V768-I771 WeakPolarHBondContact O-CB 3.39Å; V768-I771 PolarHBondContact O-N 2.95Å; V768-L773 HydrophobicContact CG2-CD1 4.19Å; V768-L776 HydrophobicContact CB-CD1 4.1Å
769K81.9Confident73.4Confident104 Ų10472.3 Ų72.345%0.45241%0.414SS..THydrogen-bonded Turntrans50.543.7-172.8-57.2-178.5-167.6-1020112.3E756 I771E756-K769 HydrophobicContact CB-CG 4.13Å; E756-K769 HydrophobicContact CG-CG 4.32Å; E756-K769 PolarHBondContact O-N 3.47Å; E756-K769 WeakPolarHBondContact OE1-CE 3.31Å; E756-K769 WeakPolarHBondContact OE1-CG 3.47Å; E756-K769 IonicContact OE1-NZ 2.75Å; E756-K769 PolarHBondContact OE1-NZ 3.29Å; E756-K769 WeakPolarHBondContact OE2-CE 3.28Å; E756-K769 IonicContact OE2-NZ 3.21Å; E756-K769 PolarHBondContact OE2-NZ 3.46Å; K769-I771 PolarHBondContact O-N 3.49Å; K769-I771 VanDerWaalsContact O-N 3.13Å
770N77.5Confident73Confident112 Ų11271.5 Ų71.560%0.59941%0.406SS*.THydrogen-bonded Turntrans62.42-172.5-52.5-54.1000116.3Q758 F767 V768Q758-N770 PolarHBondContact NE2-OD1 2.71Å; F767-N770 WeakPolarHBondContact CD1-O 3.49Å; V768-N770 PolarHBondContact O-N 3.02Å
771I75.8Confident72.6Confident82 Ų8278 Ų7842%0.42143%0.433SS..EExtended strand (participates in β ladder)trans-90.5125.4174.6-54.6174.5000109F767 V768 K769 L773 L776F767-I771 CarbonylContact C-O 3.57Å; F767-I771 VanDerWaalsContact CA-O 3.26Å; F767-I771 WeakPolarHBondContact CA-O 3.33Å; V768-I771 PolarHBondContact N-O 3.47Å; V768-I771 WeakPolarHBondContact O-CB 3.39Å; V768-I771 PolarHBondContact O-N 2.95Å; K769-I771 PolarHBondContact O-N 3.49Å; K769-I771 VanDerWaalsContact O-N 3.13Å; I771-L773 PolarHBondContact O-N 3.4Å; I771-L776 HydrophobicContact CB-CD1 4.49Å; I771-L776 HydrophobicContact CD1-CD2 4.44Å; I771-L776 HydrophobicContact CG2-CD1 4.39Å; I771-L776 HydrophobicContact CG2-CD2 3.89Å; I771-L776 HydrophobicContact CG2-CG 3.93Å
772P80Confident72.5Confident21 Ų2178.9 Ų78.914%0.13642%0.421CS..EExtended strand (participates in β ladder)trans-64.9133178.324.4-31.7000111E765 I766 F767 R774 S775E765-P772 HydrophobicContact CG-CB 4.05Å; E765-P772 WeakPolarHBondContact OE1-CB 3.29Å; I766-P772 CarbonylContact O-C 3.53Å; I766-P772 WeakPolarHBondContact O-CA 3.17Å; F767-P772 HydrophobicContact CD1-CB 3.78Å; F767-P772 HydrophobicContact CD1-CG 4.3Å; F767-P772 HydrophobicContact CE1-CB 3.66Å; F767-P772 HydrophobicContact CE1-CG 4.08Å; F767-P772 HydrophobicContact CG-CB 4.48Å; F767-P772 HydrophobicContact CZ-CB 4.27Å; P772-R774 HydrophobicContact CB-CG 4.29Å; P772-R774 PolarHBondContact O-N 2.9Å; P772-S775 WeakPolarHBondContact O-CB 3.36Å; P772-S775 PolarHBondContact O-N 3.09Å
773L77.2Confident72.5Confident51 Ų5174.5 Ų74.527%0.26740%0.402SS..Hα-helixtrans-56.7-29.2-172-172.966.3000113.3I766 V768 I771 S775 L776 V777 L780I766-L773 HydrophobicContact CB-CB 4.24Å; I766-L773 HydrophobicContact CB-CD2 4.24Å; I766-L773 HydrophobicContact CD1-CD2 4.37Å; I766-L773 HydrophobicContact CG2-CD2 4.32Å; I766-L773 WeakPolarHBondContact O-CB 3.47Å; I766-L773 PolarHBondContact O-N 2.76Å; V768-L773 HydrophobicContact CG2-CD1 4.19Å; I771-L773 PolarHBondContact O-N 3.4Å; L773-S775 PolarHBondContact O-N 3.05Å; L773-L776 HydrophobicContact CD1-CD1 4.5Å; L773-L776 PolarHBondContact O-N 2.85Å; L773-L776 VanDerWaalsContact O-N 3.09Å; L773-V777 HydrophobicContact CD1-CG2 4.13Å; L773-V777 HydrophobicContact CG-CG2 4.45Å; L773-V777 PolarHBondContact O-N 3.12Å; L773-L780 HydrophobicContact CB-CD1 4.47Å; L773-L780 HydrophobicContact CD2-CD1 3.93Å; L773-L780 HydrophobicContact CG-CD1 3.77Å
774R75Confident71.5Confident93 Ų9383.4 Ų83.435%0.35143%0.43SS..Hα-helixtrans-68.9-10.6173.963.7167.1178.274.721.8115.3E765 P772 L780E765-R774 IonicContact OE1-CZ 2.67Å; E765-R774 IonicContact OE1-NE 3.16Å; E765-R774 PolarHBondContact OE1-NE 2.76Å; E765-R774 IonicContact OE1-NH2 3.16Å; E765-R774 PolarHBondContact OE1-NH2 2.9Å; E765-R774 IonicContact OE2-NE 2.79Å; E765-R774 PolarHBondContact OE2-NE 2.84Å; E765-R774 IonicContact OE2-NH2 3.4Å; P772-R774 HydrophobicContact CB-CG 4.29Å; P772-R774 PolarHBondContact O-N 2.9Å; R774-L780 HydrophobicContact CB-CB 4.1Å
775S76.8Confident70Confident77 Ų7788.9 Ų88.954%0.53845%0.45SS..Hα-helixtrans-92.9-20.2170.2-630000112P772 L773P772-S775 WeakPolarHBondContact O-CB 3.36Å; P772-S775 PolarHBondContact O-N 3.09Å; L773-S775 PolarHBondContact O-N 3.05Å
776L74.4Confident68.3Low74 Ų7496.4 Ų96.439%0.38748%0.48SS..Hα-helixtrans-89.8-41.3176.1-60.3174.6000111.4V768 I771 L773V768-L776 HydrophobicContact CB-CD1 4.1Å; I771-L776 HydrophobicContact CB-CD1 4.49Å; I771-L776 HydrophobicContact CD1-CD2 4.44Å; I771-L776 HydrophobicContact CG2-CD1 4.39Å; I771-L776 HydrophobicContact CG2-CD2 3.89Å; I771-L776 HydrophobicContact CG2-CG 3.93Å; L773-L776 HydrophobicContact CD1-CD1 4.5Å; L773-L776 PolarHBondContact O-N 2.85Å; L773-L776 VanDerWaalsContact O-N 3.09Å
777V69.8Low66.5Low56 Ų5699 Ų9934%0.33949%0.49SS..SBendtrans-111.4117.3-177.2-174.70000110.2L737 L773 L780L737-V777 HydrophobicContact CD2-CG1 4.34Å; L773-V777 HydrophobicContact CD1-CG2 4.13Å; L773-V777 HydrophobicContact CG-CG2 4.45Å; L773-V777 PolarHBondContact O-N 3.12Å; V777-L780 HydrophobicContact CB-CD1 3.73Å; V777-L780 HydrophobicContact CB-CG 3.96Å; V777-L780 HydrophobicContact CG1-CD1 4.12Å; V777-L780 HydrophobicContact CG1-CG 3.93Å; V777-L780 HydrophobicContact CG2-CD1 4.36Å
778T59.3Low64.7Low135 Ų135101.7 Ų101.783%0.82851%0.506SS*.THydrogen-bonded Turntrans-65.9149.5178.864.20000111.7L780T778-L780 PolarHBondContact O-N 2.94Å
779G62.4Low62.8Low75 Ų75107.6 Ų107.677%0.77353%0.532SS*.THydrogen-bonded Turntrans78.9-12178.700000116.3K781G779-K781 PolarHBondContact O-N 3.07Å
780L67.1Low60.9Low63 Ų63108.2 Ų108.233%0.3354%0.539SS..PPolyproline II helixtrans-64.7118.7172.1-70.5-171.5000111.2L773 R774 V777 T778L773-L780 HydrophobicContact CB-CD1 4.47Å; L773-L780 HydrophobicContact CD2-CD1 3.93Å; L773-L780 HydrophobicContact CG-CD1 3.77Å; R774-L780 HydrophobicContact CB-CB 4.1Å; V777-L780 HydrophobicContact CB-CD1 3.73Å; V777-L780 HydrophobicContact CB-CG 3.96Å; V777-L780 HydrophobicContact CG1-CD1 4.12Å; V777-L780 HydrophobicContact CG1-CG 3.93Å; V777-L780 HydrophobicContact CG2-CD1 4.36Å; T778-L780 PolarHBondContact O-N 2.94Å
781K67.2Low59.2Low190 Ų190107.1 Ų107.183%0.82653%0.534SS*.PPolyproline II helixtrans-82.9142.1173.6-66.6176.9-178.7174.30109.5G779G779-K781 PolarHBondContact O-N 3.07Å
782R62.2Low57.3Low150 Ų150109 Ų10957%0.56654%0.54SS*.PPolyproline II helixtrans-49.1128.6167.9-91.4-173.71581420.3110.3E765 R784E765-R782 IonicContact OE1-NH2 3.69Å; E765-R782 WeakPolarHBondContact OE2-CG 3.38Å; E765-R782 IonicContact OE2-CZ 3.2Å; E765-R782 IonicContact OE2-NE 2.71Å; E765-R782 PolarHBondContact OE2-NE 2.95Å; E765-R782 IonicContact OE2-NH2 3.65Å; E765-R782 PolarHBondContact OE2-NH2 3.27Å; R782-R784 PolarHBondContact O-N 3.26Å
783P56.6Low55.4Low60 Ų60115.7 Ų115.739%0.3957%0.567SS.*PPolyproline II helixtrans-56.7131.6173.4-27.438000110.9F785P783-F785 HydrophobicContact CB-CD2 3.75Å; P783-F785 HydrophobicContact CB-CE2 3.66Å; P783-F785 PolarHBondContact O-N 3.44Å
784R49.4Very low53.6Low241 Ų241121.5 Ų121.591%0.90959%0.59SS**  trans-91.571.8178.8-71.3-172.7177.2-175.40110.3R782R782-R784 PolarHBondContact O-N 3.26Å
785F45.5Very low51.7Low126 Ų126126.3 Ų126.355%0.55361%0.61SS**  trans-64.3154.7165.9-78-96000110.5T763 P783 Q787T763-F785 WeakPolarHBondContact O-CD2 3.02Å; P783-F785 HydrophobicContact CB-CD2 3.75Å; P783-F785 HydrophobicContact CB-CE2 3.66Å; P783-F785 PolarHBondContact O-N 3.44Å; F785-Q787 PolarHBondContact O-N 3.38Å
786Y36.9Very low49.7Very low167 Ų167131.1 Ų131.166%0.65562%0.621SS**  trans-75.577.3-152.1-77.3-106.4000114.9L788 E789Y786-L788 HydrophobicContact CD1-CB 4.11Å; Y786-L788 HydrophobicContact CD1-CD1 3.83Å; Y786-L788 HydrophobicContact CE1-CD1 4.15Å; Y786-L788 PolarHBondContact O-N 2.71Å; Y786-L788 VanDerWaalsContact O-N 3.08Å; Y786-E789 PolarHBondContact O-N 3.07Å
787Q40.5Very low47.8Very low125 Ų125133.1 Ų133.158%0.58464%0.639SS**THydrogen-bonded Turntrans-53.5-24.8161.4-166.871.145.700112F785 E789 L790 D791F785-Q787 PolarHBondContact O-N 3.38Å; Q787-E789 VanDerWaalsContact C-N 3.27Å; Q787-E789 PolarHBondContact O-N 3.3Å; Q787-L790 PolarHBondContact O-N 2.97Å; Q787-D791 PolarHBondContact O-N 2.98Å
788L41.4Very low46.3Very low104 Ų104142.6 Ų142.655%0.54567%0.668SS.*Hα-helixtrans-47.4-43.8170.1-81.7158.4000113.2Y786 L790 D791 H792Y786-L788 HydrophobicContact CD1-CB 4.11Å; Y786-L788 HydrophobicContact CD1-CD1 3.83Å; Y786-L788 HydrophobicContact CE1-CD1 4.15Å; Y786-L788 PolarHBondContact O-N 2.71Å; Y786-L788 VanDerWaalsContact O-N 3.08Å; L788-L790 PolarHBondContact O-N 2.68Å; L788-D791 PolarHBondContact O-N 3.49Å; L788-H792 PolarHBondContact O-CD2 3.35Å; L788-H792 PolarHBondContact O-N 3.33Å; L788-H792 VanDerWaalsContact O-N 3.15Å
789E41.1Very low45.1Very low154 Ų154139.9 Ų139.972%0.7267%0.667SS**Hα-helixtrans-70.5-16-178.8-65.7-160.4137.300113.7Y786 Q787Y786-E789 PolarHBondContact O-N 3.07Å; Q787-E789 VanDerWaalsContact C-N 3.27Å; Q787-E789 PolarHBondContact O-N 3.3Å
790L42.4Very low43.5Very low116 Ų116139.8 Ų139.861%0.60767%0.667SS**Hα-helixtrans-88.2-36.7173.8-72.9166000112.5Q787 L788Q787-L790 PolarHBondContact O-N 2.97Å; L788-L790 PolarHBondContact O-N 2.68Å
791D41.2Very low41.8Very low90 Ų90148.9 Ų148.948%0.48170%0.697SS.*Hα-helixtrans-80.1-18.5179.2-97.8-46.2000114.3Q787 L788 K793 K794Q787-D791 PolarHBondContact O-N 2.98Å; L788-D791 PolarHBondContact O-N 3.49Å; D791-K793 PolarHBondContact O-N 3.32Å; D791-K794 PolarHBondContact O-N 2.96Å
792H37.5Very low40.3Very low121 Ų121145.6 Ų145.656%0.5670%0.698SS**G310 helixtrans-56.9-16.8175.5-79.7-48.1000114.3L788 K794 Y795L788-H792 PolarHBondContact O-CD2 3.35Å; L788-H792 PolarHBondContact O-N 3.33Å; L788-H792 VanDerWaalsContact O-N 3.15Å; H792-K794 PolarHBondContact O-N 3.38Å; H792-Y795 PolarHBondContact O-N 2.8Å
793K38.4Very low39Very low162 Ų162147.4 Ų147.470%0.70471%0.713SS**G310 helixtrans-69.1-11.7172.8-74.7179.4-179.41680115.4D791D791-K793 PolarHBondContact O-N 3.32Å
794K40.2Very low38Very low172 Ų172150.2 Ų150.275%0.74873%0.731SS**G310 helixtrans-89.6-8.4172.6-78.5176.2178.8165.10114.2D791 H792D791-K794 PolarHBondContact O-N 2.96Å; H792-K794 PolarHBondContact O-N 3.38Å
795Y34.7Very low37.3Very low195 Ų195148.3 Ų148.377%0.76573%0.729SS**  trans-116.362.8179.9-75.5-82.7000112.3H792 P797H792-Y795 PolarHBondContact O-N 2.8Å; Y795-P797 VanDerWaalsContact O-CD 3.25Å; Y795-P797 WeakPolarHBondContact O-CD 3.36Å
796F35Very low36.7Very low178 Ų178153.6 Ų153.678%0.78175%0.746SS**  trans-72.6116.8162.1-91.5-83.2000109.8R798F796-R798 PolarHBondContact O-N 2.85Å; F796-R798 VanDerWaalsContact O-N 3.12Å
797P35Very low36.6Very low116 Ų116153.1 Ų153.175%0.75375%0.754SS**  trans-66.6112.6166.528.3-32.3000108.1Y795 G799Y795-P797 VanDerWaalsContact O-CD 3.25Å; Y795-P797 WeakPolarHBondContact O-CD 3.36Å; P797-G799 PolarHBondContact O-N 3.32Å
798R38.4Very low36.4Very low254 Ų254152.1 Ų152.196%0.95876%0.761SS**  trans-62.7114.8180-145177.9-169.1-160.93108.2F796F796-R798 PolarHBondContact O-N 2.85Å; F796-R798 VanDerWaalsContact O-N 3.12Å
799G32.8Very low36Very low78 Ų78156.3 Ų156.380%0.80478%0.775SS**  trans-58.8138.7-154.600000115.6P797P797-G799 PolarHBondContact O-N 3.32Å
800G30.3Very low35.6Very low74 Ų74155.4 Ų155.476%0.76378%0.775SS**  trans-92.6158.3168.900000112.6
801R31.2Very low35.4Very low254 Ų254157.5 Ų157.596%0.95878%0.782SS**  trans67.284.2169.6-61.1-175.8173.6-173.5-1.8117.5
802S35.4Very low34.9Very low121 Ų121158.8 Ų158.885%0.84679%0.789SS**  -128.7120.6128.552.50000108.9
803Q34.4Very low34.7Very low188 Ų188157.2 Ų157.288%0.87979%0.792SS**  trans-109.8130.4170.4-89.2-158.8-14.900109.4
804P36.7Very low34.4Very low119 Ų119159.6 Ų159.677%0.77380%0.802SS**  trans-91.5112.9157.631.9-25000110.4
805F35.1Very low34.1Very low200 Ų200156 Ų15688%0.87780%0.799SS**  trans30.3132.6149.7-66.8-88.1000122.3
806R30.9Very low34Very low237 Ų237154.3 Ų154.389%0.89480%0.803SS**  trans-61137.8158.4-65.4173.3172.5175.3-3.5111
807N36Very low33.8Very low157 Ų157153.9 Ų153.984%0.8481%0.809SS**  trans-177.1138.9139.7-91.4-16.9000104.5
808S35.7Very low33.8Very low104 Ų104154 Ų15473%0.72781%0.813SS**  cis172.8149.7-7.340.20000102.2
809K32.9Very low33.6Very low192 Ų192151 Ų15184%0.83581%0.807SS**  trans-56.1143.4-175.9-55.9171.2-176175.10111.9
810N34.2Very low33.5Very low135 Ų135154.5 Ų154.572%0.72281%0.807SS**  -178.5148.7113-88.7-8.9000113.2
811Q36.3Very low33.8Very low160 Ų160157.4 Ų157.475%0.74881%0.809SS**  trans29.5142.3133.4-57.9-153.6-81.200121.1
812D32.4Very low33.7Very low117 Ų117153.8 Ų153.863%0.62680%0.803SS**  cis-159.6177.9-11.1-133.8-68000111.7
813S31.9Very low33.7Very low89 Ų89155.8 Ų155.862%0.62280%0.804SS**  trans-14131153.7-53.70000117.5
814F33.7Very low33.6Very low212 Ų212154.9 Ų154.993%0.9380%0.803SS**  -158.6128.5118.5-100.1-63.4000112
815S32.2Very low33.3Very low96 Ų96152.1 Ų152.167%0.67180%0.797SS**  trans-86.5155.1168.956.50000111.2
816N34.2Very low33.2Very low160 Ų160152.2 Ų152.286%0.85680%0.797SS**  trans-155.9130.2136.3-102.5-31.4000112.7
817N29Very low33.4Very low169 Ų169147 Ų14790%0.90479%0.791SS**  trans-94.4122.2165.9-83.1-44.9000108.4
818S36Very low33.2Very low119 Ų119146.1 Ų146.183%0.83279%0.785SS**  trans-137.2129.416755.70000110.4
819K34.2Very low33.2Very low191 Ų191147 Ų14783%0.8379%0.786SS**  trans-83.7170.8-178-58.7174.7179.1173.90111.8
820N31.1Very low33.4Very low151 Ų151143.8 Ų143.881%0.80778%0.783SS**  trans77.2171.5154.4-63.6-7.9000118.5
821V35.2Very low33.5Very low134 Ų134141.2 Ų141.281%0.81278%0.78SS**  trans87.296.6166.3-169.10000115.5
822H31.1Very low33.5Very low178 Ų178140.1 Ų140.182%0.82478%0.779SS**  trans-47.9143.3151.7-71.5-87.9000110.8
823N35.2Very low33.8Very low164 Ų164142.1 Ų142.188%0.87778%0.782SS**  -166.8161.1115.1-104-39.4000114.3
824I31.7Very low34Very low168 Ų168149 Ų14986%0.86280%0.795SS**  trans-105.4126.9-180-66.3168.3000110.2
825G29.3Very low34.3Very low62 Ų62143.1 Ų143.164%0.63978%0.78SS**  trans106.9160.3135.200000119.9
826K35Very low34.8Very low202 Ų202145.8 Ų145.888%0.87879%0.785SS**  trans71.7155.6178.1-49173.1-175.1173.20112.1
827V33.7Very low35.2Very low127 Ų127147.1 Ų147.177%0.7778%0.783SS**  cis-146.1151.632164.50000108.1
828I32.4Very low35.9Very low139 Ų139142.5 Ų142.571%0.71378%0.775SS**  cis-100-102.26.7-46.7165.8000111.2
829T36.5Very low36.1Very low122 Ų122145.6 Ų145.675%0.74877%0.774SS**  cis-149.7163.9-2.4-40.40000112.5
830T35.9Very low36.4Very low125 Ų125143 Ų14377%0.76777%0.769SS**  trans-85.9147.7-169.146.80000114.9
831A36.3Very low36.9Very low80 Ų80142.7 Ų142.766%0.66177%0.767SS**  cis-166.9166.60.500000112.1
832N35.7Very low37.2Very low138 Ų138151.7 Ų151.774%0.73879%0.786SS**  trans65.5144.6169.9-65.5-46000116.7
833K40Very low37.5Very low158 Ų158150.4 Ų150.469%0.68778%0.784SS**  cis-160.1129.1-7-119.8165.2-170.5173.40109.5
834R36.5Very low37.7Very low235 Ų235149.6 Ų149.689%0.88778%0.78SS**  trans64.2155.1152.8-66.5177.6-175.9177.3-0.2117.3
835S39.3Very low38Very low87 Ų87148.6 Ų148.661%0.60878%0.775SS**  cis-172.8131.2-17.6168.40000112
836I43.4Very low38.5Very low153 Ų153153.7 Ų153.779%0.78578%0.783SS**  trans67.9154150.5-72.2172.4000118
837K42.1Very low38.7Very low188 Ų188150.7 Ų150.782%0.81778%0.777SS**  cis-178.9131.8-32.8-169.4176.6-176.2177.50108.5
838G43.3Very low39.1Very low71 Ų71152.3 Ų152.373%0.73278%0.778SS**  trans158.394.5169.800000111.6
839K40.8Very low39.5Very low185 Ų185153.2 Ų153.280%0.80478%0.782SS**  75.385.978.6-82.4-161.5167-169.10115.4
840N40.9Very low39.8Very low136 Ų136155.6 Ų155.673%0.72779%0.785SS**  68.6132.6117.1-76.764.3000122.4
841N40.6Very low40.1Very low144 Ų144158.2 Ų158.277%0.7779%0.786SS**  trans73.991.2145.4-58.716000118.3
842R42.3Very low40.4Very low323 Ų323165.3 Ų165.3100%1.21980%0.798SS**  -140.1096-145.3173.2-167.5172.34.1110.9

Retrieved 842 of 842 residues in 319.1 ms (Link to these results)